Waqed H. Hassan| Zahraa Mohammad Fadhe*| Rifqa F. Thiab| Karrar Mahdi Civil Engineering Department, Faculty of Engineering, University of Warith Al-Anbiyaa, Kerbala 56001, Iraq Civil Engineering Department, Faculty of Engineering, University of Kerbala, Kerbala 56001, Iraq Corresponding Author Email: Waqed.hammed@uowa.edu.iq
OPEN ACCESS
Abstract:
This work investigates numerically a local scour moves in irregular waves around tripods. It is constructed and proven to use the numerical model of the seabed-tripod-fluid with an RNG k turbulence model. The present numerical model then examines the flow velocity distribution and scour characteristics. After that, the suggested computational model Flow-3D is a useful tool for analyzing and forecasting the maximum scour development and the flow field in random waves around tripods. The scour values affecting the foundations of the tripod must be studied and calculated, as this phenomenon directly and negatively affects the structure of the structure and its design life. The lower diagonal braces and the main column act as blockages, increasing the flow accelerations underneath them. This increases the number of particles that are moved, which in turn creates strong scouring in the area. The numerical model has a good agreement with the experimental model, with a maximum percentage of error of 10% between the experimental and numerical models. In addition, Based on dimensional analysis parameters, an empirical equation has been devised to forecast scour depth with flow depth, median size ratio, Keulegan-Carpenter (Kc), Froud number flow, and wave velocity that the results obtained in this research at various flow velocities and flow depths demonstrated that the maximum scour depth rate depended on wave height with rising velocities and decreasing particle sizes (d50) and the scour depth attains its steady-current value for Vw < 0.75. As the Froude number rises, the maximum scour depth will be large.
Keywords:
local scour, tripod foundation, Flow-3D, waves
1. Introduction
New energy sources have been used by mankind since they become industrialized. The main energy sources have traditionally been timber, coal, oil, and gas, but advances in the science of new energies, such as nuclear energy, have emerged [1, 2]. Clean and renewable energy such as offshore wind has grown significantly during the past few decades. There are numerous different types of foundations regarding offshore wind turbines (OWTs), comprising the tripod, jacket, gravity foundation, suction anchor (or bucket), and monopile [3, 4]. When the water depth is less than 30 meters, Offshore wind farms usually employ the monopile type [4]. Engineers must deal with the wind’s scouring phenomenon turbine foundations when planning and designing wind turbines for an offshore environment [5]. Waves and currents generate scour, this is the erosion of soil near a submerged foundation and at its location [6]. To predict the regional scour depth at a bridge pier, Jalal et al. [7-10] developed an original gene expression algorithm using artificial neural networks. Three monopiles, one main column, and several diagonal braces connecting the monopiles to the main column make up the tripod foundation, which has more complicated shapes than a single pile. The design of the foundation may have an impact on scour depth and scour development since the foundation’s form affects the flow field [11, 12]. Stahlmann [4] conducted several field investigations. He discovered that the main column is where the greatest scour depth occurred. Under the main column is where the maximum scour depth occurs in all experiments. The estimated findings show that higher wave heights correspond to higher flow velocities, indicating that a deeper scour depth is correlated with finer silt granularity [13] recommends as the design value for a single pile. These findings support the assertion that a tripod may cause the seabed to scour more severely than a single pile. The geography of the scour is significantly more influenced by the KC value (Keulegan–Carpenter number)
The capability of computer hardware and software has made computational fluid dynamics (CFD) quite popular to predict the behavior of fluid flow in industrial and environmental applications has increased significantly in recent years [14].
Finding an acceptable piece of land for the turbine’s construction and designing the turbine pile precisely for the local conditions are the biggest challenges. Another concern related to working in a marine environment is the effect of sea waves and currents on turbine piles and foundations. The earth surrounding the turbine’s pile is scoured by the waves, which also render the pile unstable.
In this research, the main objective is to investigate numerically a local scour around tripods in random waves. It is constructed and proven to use the tripod numerical model. The present numerical model is then used to examine the flow velocity distribution and scour characteristics.
2. Numerical Model
To simulate the scouring process around the tripod foundation, the CFD code Flow-3D was employed. By using the fractional area/volume method, it may highlight the intricate boundaries of the solution domain (FAVOR).
This model was tested and validated utilizing data derived experimentally from Schendel et al. [15] and Sumer and Fredsøe [6]. 200 runs were performed at different values of parameters.
2.1 Momentum equations
The incompressible viscous fluid motion is described by the three RANS equations listed below [16]:
where, respectively, u, v, and w represent the x, y, and z flow velocity components; volume fraction (VF), area fraction (Ai; I=x, y, z), water density (f), viscous force (fi), and body force (Gi) are all used in the formula.
2.2 Model of turbulence
Several turbulence models would be combined to solve the momentum equations. A two-equation model of turbulence is the RNG k-model, which has a high efficiency and accuracy in computing the near-wall flow field. Therefore, the flow field surrounding tripods was captured using the RNG k-model.
2.3 Model of sediment scour
2.3.1 Induction and deposition
Eq. (4) can be used to determine the particle entrainment lift velocity [17].
α𝛼i is the Induction parameter, ns the normal vector is parallel to the seafloor, and for the present numerical model, ns=(0,0,1), θ𝜃cr is the essential Shields variable, g is the accelerated by gravity, di is the size of the particles, ρi is species density in beds, and d∗ The diameter of particles without dimensions; these values can be obtained in Eq. (5).
fbis the essential particle packing percentage, qb, i is the bed load transportation rate, and cb, I the percentage of sand by volume i. These variables can be found in Eq. (9), Eq. (10), fb, δ𝛿i the bed load thickness.
In this paper, after the calibration of numerous trials, the selection of parameters for sediment scour is crucial. Maximum packing fraction is 0.64 with a shields number of 0.05, entrainment coefficient of 0.018, the mass density of 2650, bed load coefficient of 12, and entrainment coefficient of 0.01.
3. Model Setup
To investigate the scour characteristics near tripods in random waves, the seabed-tripod-fluid numerical model was created as shown in Figure 1. The tripod basis, a seabed, and fluid and porous medium were all components of the model. The seabed was 240 meters long, 40 meters wide, and three meters high. It had a median diameter of d50 and was composed of uniformly fine sand. The 2.5-meter main column diameter D. The base of the main column was three dimensions above the original seabed. The center of the seafloor was where the tripod was, 130 meters from the offshore and 110 meters from the onshore. To prevent wave reflection, the porous media were positioned above the seabed on the onshore side.
Figure 1. An illustration of the numerical model for the seabed-tripod-fluid
3.1 Generation of meshes
Figure 2 displays the model’s mesh for the Flow-3D software grid. The current model made use of two different mesh types: global mesh grid and nested mesh grid. A mesh grid with the following measurements was created by the global hexahedra mesh grid: 240m length, 40m width, and 32m height. Around the tripod, a finer nested mesh grid was made, with dimensions of 0 to 32m on the z-axis, 10 to 30 m on the x-axis, and 25 to 15 m on the y-axis. This improved the calculation’s precision and mesh quality.
To increase calculation efficiency, the top side, The model’s two x-z plane sides, as well as the symmetry boundaries, were all specified. For u, v, w=0, the bottom boundary wall was picked. The offshore end of the wave boundary was put upstream. For the wave border, random waves were generated using the wave spectrum from the Joint North Sea Wave Project (JONSWAP). Boundary conditions are shown in Figure 3.
Figure 3. Boundary conditions of the typical problem
The wave spectrum peak enhancement factor (=3.3 for this work) and can be used to express the unidirectional JONSWAP frequency spectrum.
3.3 Mesh sensitivity
Before doing additional research into scour traits and scour depth forecasting, mesh sensitivity analysis is essential. Three different mesh grid sizes were selected for this section: Mesh 1 has a 0.45 by 0.45 nested fine mesh and a 0.6 by 0.6 global mesh size. Mesh 2 has a 0.4 global mesh size and a 0.35 nested fine mesh size, while Mesh 3 has a 0.25 global mesh size and a nested fine mesh size of 0.15. Comparing the relative fine mesh size (such as Mesh 2 or Mesh 3) to the relatively coarse mesh size (such as Mesh 1), a larger scour depth was seen; this shows that a finer mesh size can more precisely represent the scouring and flow field action around a tripod. Significantly, a lower mesh size necessitates a time commitment and a more difficult computer configuration. Depending on the sensitivity of the mesh guideline utilized by Pang et al., when Mesh 2 is applied, the findings converge and the mesh size is independent [20]. In the next sections, scouring the area surrounding the tripod was calculated using Mesh 2 to ensure accuracy and reduce computation time. The working segment generates a total of 14, 800,324 cells.
3.4 Model validation
Comparisons between the predicted outcomes from the current model and to confirm that the current numerical model is accurate and suitably modified, experimental data from Sumer and Fredsøe [6] and Schendel et al. [15] were used. For the experimental results of Run 05, Run 15, and Run 22 from Sumer and Fredsøe [6], the experimental A9, A13, A17, A25, A26, and A27 results from Schendel et al. [15], and the numerical results from the current model are shown in Figure 4. The present model had d50=0.051cm, the height of the water wave(h)=10m, and wave velocity=0.854 m.s-1.
Figure 5. Comparison of the present study’s maximum scour depth with that authored by Sumer and Fredsøe [6] and Schendel et al. [15]
According to Figure 5, the highest discrepancy between the numerical results and experimental data is about 10%, showing that overall, there is good agreement between them. The ability of the current numerical model to accurately depict the scour process and forecast the maximum scour depth (S) near foundations is demonstrated by this. Errors in the simulation were reduced by using the calibrated values of the parameter. Considering these results, a suggested simulated scouring utilizing a Flow-3D numerical model is confirmed as a superior way for precisely forecasting the maximum scour depth near a tripod foundation in random waves.
3.5 Dimensional analysis
The variables found in this study as having the greatest impacts, variables related to flow, fluid, bed sediment, flume shape, and duration all had an impact on local scouring depth (t). Hence, scour depth (S) can be seen as a function of these factors, shown as:
With the aid of dimensional analysis, the 14-dimensional parameters in Eq. (11) were reduced to 6 dimensionless variables using Buckingham’s -theorem. D, V, and were therefore set as repetition parameters and others as constants, allowing for the ignoring of their influence. Eq. (12) thus illustrates the relationship between the effect of the non-dimensional components on the depth of scour surrounding a tripod base.
(12)
\frac{S}{D}=f\left(\frac{h}{D}, \frac{d 50}{D}, \frac{V}{V W}, F r, K c\right)
where, SD𝑆𝐷 are scoured depth ratio, VVw𝑉𝑉𝑤 is flow wave velocity, d50D𝑑50𝐷 median size ratio, $Fr representstheFroudnumber,and𝑟𝑒𝑝𝑟𝑒𝑠𝑒𝑛𝑡𝑠𝑡ℎ𝑒𝐹𝑟𝑜𝑢𝑑𝑛𝑢𝑚𝑏𝑒𝑟,𝑎𝑛𝑑Kc$is the Keulegan-Carpenter.
4. Result and Discussion
4.1 Development of scour
Similar to how the physical model was used, this numerical model was also used. The numerical model’s boundary conditions and other crucial variables that directly influence the outcomes were applied (flow depth, median particle size (d50), and wave velocity). After the initial 0-300 s, the scour rate reduced as the scour holes grew quickly. The scour depths steadied for about 1800 seconds before reaching an asymptotic value. The findings of scour depth with time are displayed in Figure 6.
4.2 Features of scour
Early on (t=400s), the scour hole began to appear beneath the main column and then began to extend along the diagonal bracing connecting to the wall-facing pile. Gradually, the geography of the scour; of these results is similar to the experimental observations of Stahlmann [4] and Aminoroayaie Yamini et al. [1]. As the waves reached the tripod, there was an enhanced flow acceleration underneath the main column and the lower diagonal braces as a result of the obstructing effects of the structural elements. More particles are mobilized and transported due to the enhanced near-bed flow velocity, it also increases bed shear stress, turbulence, and scour at the site. In comparison to a single pile, the main column and structural components of the tripod have a significant impact on the flow velocity distribution and, consequently, the scour process and morphology. The main column and seabed are separated by a gap, therefore the flow across the gap may aid in scouring. The scour hole first emerged beneath the main column and subsequently expanded along the lower structural components, both Aminoroayaie Yamini et al. [1] and Stahlmann [4] made this claim. Around the tripod, there are several different scour morphologies and the flow velocity distribution as shown in Figures 7 and 8.
Figure 8. Random waves of flow velocity distribution around a tripod
4.3 Wave velocity’s (Vw) impact on scour depth
In this study’s section, we looked at how variations in wave current velocity affected the scouring depth. Bed scour pattern modification could result from an increase or decrease in waves. As a result, the backflow area produced within the pile would become stronger, which would increase the depth of the sediment scour. The quantity of current turbulence is the primary cause of the relationship between wave height and bed scour value. The current velocity has increased the extent to which the turbulence energy has changed and increased in strength now present. It should be mentioned that in this instance, the Jon swap spectrum random waves are chosen. The scour depth attains its steady-current value for Vw<0.75, Figure 9 (a) shows that effect. When (V) represents the mean velocity=0.5 m.s-1.
Figure 9. Main effects on maximum scour depth (Smax) as a function of column diameter (D)
4.4 Impact of a median particle (d50) on scour depth
In this section of the study, we looked into how variations in particle size affected how the bed profile changed. The values of various particle diameters are defined in the numerical model for each run numerical modeling, and the conditions under which changes in particle diameter have an impact on the bed scour profile are derived. Based on Figure 9 (b), the findings of the numerical modeling show that as particle diameter increases the maximum scour depth caused by wave contact decreases. When (d50) is the diameter of Sediment (d50). The Shatt Al-Arab soil near Basra, Iraq, was used to produce a variety of varied diameters.
4.5 Impact of wave height and flow depth (h) on scour depth
One of the main elements affecting the scour profile brought on by the interaction of the wave and current with the piles of the wind turbines is the height of the wave surrounding the turbine pile causing more turbulence to develop there. The velocity towards the bottom and the bed both vary as the turbulence around the pile is increased, modifying the scour profile close to the pile. According to the results of the numerical modeling, the depth of scour will increase as water depth and wave height in random waves increase as shown in Figure 9 (c).
4.6 Froude number’s (Fr) impact on scour depth
No matter what the spacing ratio, the Figure 9 shows that the Froude number rises, and the maximum scour depth often rises as well increases in Figure 9 (d). Additionally, it is crucial to keep in mind that only a small portion of the findings regarding the spacing ratios with the smallest values. Due to the velocity acceleration in the presence of a larger Froude number, the range of edge scour downstream is greater than that of upstream. Moreover, the scouring phenomena occur in the region farthest from the tripod, perhaps as a result of the turbulence brought on by the collision of the tripod’s pile. Generally, as the Froude number rises, so does the deposition height and scour depth.
4.7 Keulegan-Carpenter (KC) number
The geography of the scour is significantly more influenced by the KC value. Greater KC causes a deeper equilibrium scour because an increase in KC lengthens the horseshoe vortex’s duration and intensifies it as shown in Figure 10.
The result can be attributed to the fact that wave superposition reduced the crucial KC for the initiation of the scour, particularly under small KC conditions. The primary variable in the equation used to calculate This is the depth of the scouring hole at the bed. The following expression is used to calculate the Keulegan-Carpenter number:
Kc=Vw∗TpD𝐾𝑐=𝑉𝑤∗𝑇𝑝𝐷 (13)
where, the wave period is Tp and the wave velocity is shown by Vw.
Figure 10. Relationship between the relative maximum scour depth and KC
5. Conclusion
(1) The existing seabed-tripod-fluid numerical model is capable of faithfully reproducing the scour process and the flow field around tripods, suggesting that it may be used to predict the scour around tripods in random waves.
(2) Their results obtained in this research at various flow velocities and flow depths demonstrated that the maximum scour depth rate depended on wave height with rising velocities and decreasing particle sizes (d50).
(3) A diagonal brace and the main column act as blockages, increasing the flow accelerations underneath them. This raises the magnitude of the disturbance and the shear stress on the seafloor, which in turn causes a greater number of particles to be mobilized and conveyed, as a result, causes more severe scour at the location.
(4) The Froude number and the scouring process are closely related. In general, as the Froude number rises, so does the maximum scour depth and scour range. The highest maximum scour depth always coincides with the bigger Froude number with the shortest spacing ratio.
Since the issue is that there aren’t many experiments or studies that are relevant to this subject, therefore we had to rely on the monopile criteria. Therefore, to gain a deeper knowledge of the scouring effect surrounding the tripod in random waves, further numerical research exploring numerous soil, foundation, and construction elements as well as upcoming physical model tests will be beneficial.
Nomenclature
CFD
Computational fluid dynamics
FAVOR
Fractional Area/Volume Obstacle Representation
VOF
Volume of Fluid
RNG
Renormalized Group
OWTs
Offshore wind turbines
Greek Symbols
ε, ω
Dissipation rate of the turbulent kinetic energy, m2s-3
Subscripts
d50
Median particle size
Vf
Volume fraction
GT
Turbulent energy of buoyancy
KT
Turbulent velocity
PT
Kinetic energy of the turbulence
Αi
Induction parameter
ns
Induction parameter
ΘΘcr
The essential Shields variable
Di
Diameter of sediment
d∗
The diameter of particles without dimensions
µf
Dynamic viscosity of the fluid
qb,i
The bed load transportation rate
Cs,i
Sand particle’s concentration of mass
D
Diameter of pile
Df
Diffusivity
D
Diameter of main column
Fr
Froud number
Kc
Keulegan–Carpenter number
G
Acceleration of gravity g
H
Flow depth
Vw
Wave Velocity
V
Mean Velocity
Tp
Wave Period
S
Scour depth
References
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•Landslide travel distance is considered for the first time in a predictive equation.
•Predictive equation derived from databases using 3D physical and numerical modeling.
•The equation was successfully tested on the 2018 Anak Krakatau tsunami event.
•The developed equation using three-dimensional data exhibits a 91 % fitting quality.
Abstract
Landslide tsunamis, responsible for thousands of deaths and significant damage in recent years, necessitate the allocation of sufficient time and resources for studying these extreme natural hazards. This study offers a step change in the field by conducting a large number of three-dimensional numerical experiments, validated by physical tests, to develop a predictive equation for the maximum initial amplitude of tsunamis generated by subaerial landslides. We first conducted a few 3D physical experiments in a wave basin which were then applied for the validation of a 3D numerical model based on the Flow3D-HYDRO package. Consequently, we delivered 100 simulations using the validated model by varying parameters such as landslide volume, water depth, slope angle and travel distance. This large database was subsequently employed to develop a predictive equation for the maximum initial tsunami amplitude. For the first time, we considered travel distance as an independent parameter for developing the predictive equation, which can significantly improve the predication accuracy. The predictive equation was tested for the case of the 2018 Anak Krakatau subaerial landslide tsunami and produced satisfactory results.
The Anak Krakatau landslide tsunami on 22nd December 2018 was a stark reminder of the dangers posed by subaerial landslide tsunamis (Ren et al., 2020; Mulia et al. 2020a; Borrero et al., 2020; Heidarzadeh et al., 2020; Grilli et al., 2021). The collapse of the volcano’s southwest side into the ocean triggered a tsunami that struck the Sunda Strait, leading to approximately 450 fatalities (Syamsidik et al., 2020; Mulia et al., 2020b) (Fig. 1). As shown in Fig. 1, landslide tsunamis (both submarine and subaerial) have been responsible for thousands of deaths and significant damage to coastal communities worldwide. These incidents underscored the critical need for advanced research into landslide-generated waves to aid in hazard prediction and mitigation. This is further emphasized by recent events such as the 28th of November 2020 landslide tsunami in the southern coast mountains of British Columbia (Canada), where an 18 million m3 rockslide generated a massive tsunami, with over 100 m wave run-up, causing significant environmental and infrastructural damage (Geertsema et al., 2022).
Physical modelling and numerical simulation are crucial tools in the study of landslide-induced waves due to their ability to replicate and analyse the complex dynamics of landslide events (Kim et al., 2020). In two-dimensional (2D) modelling, the discrepancy between dimensions can lead to an artificial overestimation of wave amplification (e.g., Heller and Spinneken, 2015). This limitation is overcome with 3D modelling, which enables the scaled-down representation of landslide-generated waves while avoiding the simplifications inherent in 2D approaches (Erosi et al., 2019). Another advantage of 3D modelling in studying landslide-generated waves is its ability to accurately depict the complex dynamics of wave propagation, including lateral and radial spreading from the slide impact zone, a feature unattainable with 2D models (Heller and Spinneken, 2015).
Physical experiments in tsunami research, as presented by authors such as Romano et al. (2020), McFall and Fritz (2016), and Heller and Spinneken (2015), have supported 3D modelling works through validation and calibration of the numerical models to capture the complexities of wave generation and propagation. Numerical modelling has increasingly complemented experimental approach in tsunami research due to the latter’s time and resource-intensive nature, particularly for 3D models (Li et al., 2019; Kim et al., 2021). Various numerical approaches have been employed, from Eulerian and Lagrangian frameworks to depth-averaged and Navier–Stokes models, enhancing our understanding of tsunami dynamics (Si et al., 2018; Grilli et al., 2019; Heidarzadeh et al., 2017, 2020; Iorio et al., 2021; Zhang et al., 2021; Kirby et al., 2022; Wang et al., 2021, 2022; Hu et al., 2022). The sophisticated numerical techniques, including the Particle Finite Element Method and the Immersed Boundary Method, have also shown promising results in modelling highly dynamic landslide scenarios (Mulligan et al., 2020; Chen et al., 2020). Among these methods and techniques, FLOW-3D HYDRO stands out in simulating landslide-generated tsunami waves due to its sophisticated technical features such as offering Tru Volume of Fluid (VOF) method for precise free surface tracking (e.g., Sabeti and Heidarzadeh 2022a). TruVOF distinguishes itself through a split Lagrangian approach, adeptly reducing cumulative volume errors in wave simulations by dynamically updating cell volume fractions and areas with each time step. Its intelligent adaptation of time step size ensures precise capture of evolving free surfaces, offering unparalleled accuracy in modelling complex fluid interfaces and behaviour (Flow Science, 2023).
Predictive equations play a crucial role in assessing the potential hazards associated with landslide-generated tsunami waves due to their ability to provide risk assessment and warnings. These equations can offer swift and reasonable evaluations of potential tsunami impacts in the absence of detailed numerical simulations, which can be time-consuming and expensive to produce. Among multiple factors and parameters within a landslide tsunami generation, the initial maximum wave amplitude (Fig. 1) stands out due to its critical role. While it is most likely that the initial wave generated by a landslide will have the highest amplitude, it is crucial to clarify that the term “initial maximum wave amplitude” refers to the highest amplitude within the first set of impulse waves. This parameter is essential in determining the tsunami’s impact severity, with higher amplitudes signalling a greater destructive potential (Sabeti and Heidarzadeh 2022a). Additionally, it plays a significant role in tsunami modelling, aiding in the prediction of wave propagation and the assessment of potential impacts.
In this study, we initially validate the FLOW-3D HYDRO model through a series of physical experiments conducted in a 3D wave tank at University of Bath (UK). Upon confirmation of the model’s accuracy, we use it to systematically vary parameters namely landslide volume, water depth, slope angle, and travel distance, creating an extensive database. Alongside this, we perform a sensitivity analysis on these variables to discern their impacts on the initial maximum wave amplitude. The generated database was consequently applied to derive a non-dimensional predictive equation aimed at estimating the initial maximum wave amplitude in real-world landslide tsunami events.
Two innovations of this study are: (i) The predictive equation of this study is based on a large number of 3D experiments whereas most of the previous equations were based on 2D results, and (ii) For the first time, the travel distance is included in the predictive equation as an independent parameter. To evaluate the performance of our predictive equation, we applied it to a previous real-world subaerial landslide tsunami, i.e., the Anak Krakatau 2018 event. Furthermore, we compare the performance of our predictive equation with other existing equations.
2. Data and methods
The methodology applied in this research is a combination of physical and numerical modelling. Limited physical modelling was performed in a 3D wave basin at the University of Bath (UK) to provide data for calibration and validation of the numerical model. After calibration and validation, the numerical model was employed to model a large number of landslide tsunami scenarios which allowed us to develop a database for deriving a predictive equation.
2.1. Physical experiments
To validate our numerical model, we conducted a series of physical experiments including two sets in a 3D wave basin at University of Bath, measuring 2.50 m in length (WL), 2.60 m in width (WW), and 0.60 m in height (WH) (Fig. 2a). Conducting two distinct sets of experiments (Table 1), each with different setups (travel distance, location, and water depth), provided a robust framework for validation of the numerical model. For wave measurement, we employed a twin wire wave gauge from HR Wallingford (https://equipit.hrwallingford.com). In these experiments, we used a concrete prism solid block, the dimensions of which are outlined in Table 2. In our experiments, we employed a concrete prism solid block with a density of 2600 kg/m3, chosen for its similarity to the natural density of landslides, akin to those observed with the 2018 Anak Krakatau tsunami, where the landslide composition is predominantly solid rather than granular. The block’s form has also been endorsed in prior studies (Watts, 1998; Najafi-Jilani and Ataie-Ashtiani, 2008) as a suitable surrogate for modelling landslide-induced waves. A key aspect of our methodology was addressing scale effects, following the guidelines proposed by Heller et al. (2008) as it is described in Table 1. To enhance the reliability and accuracy of our experimental data, we conducted each physical experiment three times which revealed all three experimental waveforms were identical. This repetition was aimed at minimizing potential errors and inconsistencies in laboratory measurements.
Table 1. The locations and other information of the laboratory setups for making landslide-generated waves in the physical wave basin. This table details the specific parameters for each setup, including slope range (α), slide volume (V), kinematic viscosity (ν), water depth (h), travel distance (D), surface tension coefficient of water (σ), Reynolds number (R), Weber number (W), and the precise coordinates of the wave gauges (WG).
The acceptable ranges for avoiding scale effects are based on the study by Heller et al. (2008).⁎⁎
The Reynolds number (R) is given by g0.5h1.5/ν, with ν denoting the kinematic viscosity. The Weber number (W) is W = ρgh2/σ, where σ represents surface tension coefficient and ρ = 1000kg/m3 is the density of water. In our experiments, conducted at a water temperature of approximately 20 °C, the kinematic viscosity (ν) and the surface tension coefficient of water (σ) are 1.01 × 10−6 m²/s and 0.073 N/m, respectively (Kestin et al., 1978).
Table 2. Specifications of the solid block used in physical experiments for generating subaerial landslides in the laboratory.
Solid-block attributes
Property metrics
Geometric shape
Slide width (bs)
0.26 m
Slide length (ls)
0.20 m
Slide thickness (s)
0.10 m
Slide volume (V)
2.60 × 10−3 m3
Specific gravity, (γs)
2.60
Slide weight (ms)
6.86 kg
2.2. Numerical simulations applying FLOW-3D hydro
The detailed theoretical framework encompassing the governing equations, the computational methodologies employed, and the specific techniques used for tracking the water surface in these simulations are thoroughly detailed in the study by Sabeti et al. (2024). Here, we briefly explain some of the numerical details. We defined a uniform mesh for our flow domain, carefully crafted with a fine spatial resolution of 0.005 m (i.e., grid size). The dimensions of the numerical model directly matched those of our wave basin used in the physical experiment, being 2.60 m wide, 0.60 m deep, and 2.50 m long (Fig. 2). This design ensures comprehensive coverage of the study area. The output intervals of the numerical model are set at 0.02 s. This timing is consistent with the sampling rates of wave gauges used in laboratory settings. The friction coefficient in the FLOW-3D HYDRO is designated as 0.45. This value corresponds to the Coulombic friction measurements obtained in the laboratory, ensuring that the simulation accurately reflects real-world physical interactions.
In order to simulate the landslide motion, we applied coupled motion objects in FLOW-3D-HYDRO where the dynamics are predominantly driven by gravity and surface friction. This methodology stands in contrast to other models that necessitate explicit inputs of force and torque. This approach ensures that the simulation more accurately reflects the natural movement of landslides, which is heavily reliant on gravitational force and the interaction between sliding surfaces. The stability of the numerical simulations is governed by the Courant Number criterion (Courant et al., 1928), which dictates the maximum time step (Δt) for a given mesh size (Δx) and flow speed (U). According to Courant et al. (1928), this number is required to stay below one to ensure stability of numerical simulations. In our simulations, the Courant number is always maintained below one.
In alignment with the parameters of physical experiments, we set the fluid within the mesh to water, characterized by a density of 1000 kg/m³ at a temperature of 20 °C. Furthermore, we defined the top, front, and back surfaces of the mesh as symmetry planes. The remaining surfaces are designated as wall types, incorporating no-slip conditions to accurately simulate the interaction between the fluid and the boundaries. In terms of selection of an appropriate turbulence model, we selected the k–ω model that showed a better performance than other turbulence methods (e.g., Renormalization-Group) in a previous study (Sabeti et al., 2024). The simulations are conducted using a PC Intel® Core™ i7-10510U CPU with a frequency of 1.80 GHz, and a 16 GB RAM. On this PC, completion of a 3-s simulation required approximately 12.5 h.
2.3. Validation
The FLOW-3D HYDRO numerical model was validated using the two physical experiments (Fig. 3) outlined in Table 1. The level of agreement between observations (Oi) and simulations (Si) is examined using the following equation:(1)�=|��−����|×100where ε represents the mismatch error, Oi denotes the observed laboratory values, and Si represents the simulated values from the FLOW-3D HYDRO model. The results of this validation process revealed that our model could replicate the waves generated in the physical experiments with a reasonable degree of mismatch (ε): 14 % for Lab 1 and 8 % for Lab 2 experiments, respectively (Fig. 3). These values indicate that while the model is not perfect, it provides a sufficiently close approximation of the real-world phenomena.
In terms of mesh efficiency, we varied the mesh size to study sensitivity of the numerical results to mesh size. First, by halving the mesh size and then by doubling it, we repeated the modelling by keeping other parameters unchanged. This analysis guided that a mesh size of ∆x = 0.005 m is the most effective for the setup of this study. The total number of computational cells applying mesh size of 0.005 m is 9.269 × 106.
2.4. The dataset
The validated numerical model was employed to conduct 100 simulations, incorporating variations in four key landslide parameters namely water depth, slope angle, slide volume, and travel distance. This methodical approach was essential for a thorough sensitivity analysis of these variables, and for the creation of a detailed database to develop a predictive equation for maximum initial tsunami amplitude. Within the model, 15 distinct slide volumes were established, ranging from 0.10 × 10−3 m3 to 6.25 × 10−3 m3 (Table 3). The slope angle varied between 35° and 55°, and water depth ranged from 0.24 m to 0.27 m. The travel distance of the landslides was varied, spanning from 0.04 m to 0.07 m. Detailed configurations of each simulation, along with the maximum initial wave amplitudes and dominant wave periods are provided in Table 4.
Table 3. Geometrical information of the 15 solid blocks used in numerical modelling for generating landslide tsunamis. Parameters are: ls, slide length; bs, slide width; s, slide thickness; γs, specific gravity; and V, slide volume.
Solid block
ls (m)
bs (m)
s (m)
V (m3)
γs
Block-1
0.310
0.260
0.155
6.25 × 10−3
2.60
Block-2
0.300
0.260
0.150
5.85 × 10−3
2.60
Block-3
0.280
0.260
0.140
5.10 × 10−3
2.60
Block-4
0.260
0.260
0.130
4.39 × 10−3
2.60
Block-5
0.240
0.260
0.120
3.74 × 10−3
2.60
Block-6
0.220
0.260
0.110
3.15 × 10−3
2.60
Block-7
0.200
0.260
0.100
2.60 × 10−3
2.60
Block-8
0.180
0.260
0.090
2.11 × 10−3
2.60
Block-9
0.160
0.260
0.080
1.66 × 10−3
2.60
Block-10
0.140
0.260
0.070
1.27 × 10−3
2.60
Block-11
0.120
0.260
0.060
0.93 × 10−3
2.60
Block-12
0.100
0.260
0.050
0.65 × 10−3
2.60
Block-13
0.080
0.260
0.040
0.41 × 10−3
2.60
Block-14
0.060
0.260
0.030
0.23 × 10−3
2.60
Block-15
0.040
0.260
0.020
0.10 × 10−3
2.60
Table 4. The numerical simulation for the 100 tests performed in this study for subaerial solid-block landslide-generated waves. Parameters are aM, maximum wave amplitude; α, slope angle; h, water depth; D, travel distance; and T, dominant wave period. The location of the wave gauge is X=1.030 m, Y=1.210 m, and Z=0.050 m. The properties of various solid blocks are presented in Table 3.
Test-
Block No
α (°)
h (m)
D (m)
T(s)
aM (m)
1
Block-7
45
0.246
0.029
0.510
0.0153
2
Block-7
45
0.246
0.030
0.505
0.0154
3
Block-7
45
0.246
0.031
0.505
0.0156
4
Block-7
45
0.246
0.032
0.505
0.0158
5
Block-7
45
0.246
0.033
0.505
0.0159
6
Block-7
45
0.246
0.034
0.505
0.0160
7
Block-7
45
0.246
0.035
0.505
0.0162
8
Block-7
45
0.246
0.036
0.505
0.0166
9
Block-7
45
0.246
0.037
0.505
0.0167
10
Block-7
45
0.246
0.038
0.505
0.0172
11
Block-7
45
0.246
0.039
0.505
0.0178
12
Block-7
45
0.246
0.040
0.505
0.0179
13
Block-7
45
0.246
0.041
0.505
0.0181
14
Block-7
45
0.246
0.042
0.505
0.0183
15
Block-7
45
0.246
0.043
0.505
0.0190
16
Block-7
45
0.246
0.044
0.505
0.0197
17
Block-7
45
0.246
0.045
0.505
0.0199
18
Block-7
45
0.246
0.046
0.505
0.0201
19
Block-7
45
0.246
0.047
0.505
0.0191
20
Block-7
45
0.246
0.048
0.505
0.0217
21
Block-7
45
0.246
0.049
0.505
0.0220
22
Block-7
45
0.246
0.050
0.505
0.0226
23
Block-7
45
0.246
0.051
0.505
0.0236
24
Block-7
45
0.246
0.052
0.505
0.0239
25
Block-7
45
0.246
0.053
0.510
0.0240
26
Block-7
45
0.246
0.054
0.505
0.0241
27
Block-7
45
0.246
0.055
0.505
0.0246
28
Block-7
45
0.246
0.056
0.505
0.0247
29
Block-7
45
0.246
0.057
0.505
0.0248
30
Block-7
45
0.246
0.058
0.505
0.0249
31
Block-7
45
0.246
0.059
0.505
0.0251
32
Block-7
45
0.246
0.060
0.505
0.0257
33
Block-1
45
0.246
0.045
0.505
0.0319
34
Block-2
45
0.246
0.045
0.505
0.0294
35
Block-3
45
0.246
0.045
0.505
0.0282
36
Block-4
45
0.246
0.045
0.505
0.0262
37
Block-5
45
0.246
0.045
0.505
0.0243
38
Block-6
45
0.246
0.045
0.505
0.0223
39
Block-7
45
0.246
0.045
0.505
0.0196
40
Block-8
45
0.246
0.045
0.505
0.0197
41
Block-9
45
0.246
0.045
0.505
0.0198
42
Block-10
45
0.246
0.045
0.505
0.0184
43
Block-11
45
0.246
0.045
0.505
0.0173
44
Block-12
45
0.246
0.045
0.505
0.0165
45
Block-13
45
0.246
0.045
0.404
0.0153
46
Block-14
45
0.246
0.045
0.404
0.0124
47
Block-15
45
0.246
0.045
0.505
0.0066
48
Block-7
45
0.202
0.045
0.404
0.0220
49
Block-7
45
0.204
0.045
0.404
0.0219
50
Block-7
45
0.206
0.045
0.404
0.0218
51
Block-7
45
0.208
0.045
0.404
0.0217
52
Block-7
45
0.210
0.045
0.404
0.0216
53
Block-7
45
0.212
0.045
0.404
0.0215
54
Block-7
45
0.214
0.045
0.505
0.0214
55
Block-7
45
0.216
0.045
0.505
0.0214
56
Block-7
45
0.218
0.045
0.505
0.0213
57
Block-7
45
0.220
0.045
0.505
0.0212
58
Block-7
45
0.222
0.045
0.505
0.0211
59
Block-7
45
0.224
0.045
0.505
0.0208
60
Block-7
45
0.226
0.045
0.505
0.0203
61
Block-7
45
0.228
0.045
0.505
0.0202
62
Block-7
45
0.230
0.045
0.505
0.0201
63
Block-7
45
0.232
0.045
0.505
0.0201
64
Block-7
45
0.234
0.045
0.505
0.0200
65
Block-7
45
0.236
0.045
0.505
0.0199
66
Block-7
45
0.238
0.045
0.404
0.0196
67
Block-7
45
0.240
0.045
0.404
0.0194
68
Block-7
45
0.242
0.045
0.404
0.0193
69
Block-7
45
0.244
0.045
0.404
0.0192
70
Block-7
45
0.246
0.045
0.505
0.0190
71
Block-7
45
0.248
0.045
0.505
0.0189
72
Block-7
45
0.250
0.045
0.505
0.0187
73
Block-7
45
0.252
0.045
0.505
0.0187
74
Block-7
45
0.254
0.045
0.505
0.0186
75
Block-7
45
0.256
0.045
0.505
0.0184
76
Block-7
45
0.258
0.045
0.505
0.0182
77
Block-7
45
0.259
0.045
0.505
0.0183
78
Block-7
45
0.260
0.045
0.505
0.0191
79
Block-7
45
0.261
0.045
0.505
0.0192
80
Block-7
45
0.262
0.045
0.505
0.0194
81
Block-7
45
0.263
0.045
0.505
0.0195
82
Block-7
45
0.264
0.045
0.505
0.0195
83
Block-7
45
0.265
0.045
0.505
0.0197
84
Block-7
45
0.266
0.045
0.505
0.0197
85
Block-7
45
0.267
0.045
0.505
0.0198
86
Block-7
45
0.270
0.045
0.505
0.0199
87
Block-7
30
0.246
0.045
0.505
0.0101
88
Block-7
35
0.246
0.045
0.505
0.0107
89
Block-7
36
0.246
0.045
0.505
0.0111
90
Block-7
37
0.246
0.045
0.505
0.0116
91
Block-7
38
0.246
0.045
0.505
0.0117
92
Block-7
39
0.246
0.045
0.505
0.0119
93
Block-7
40
0.246
0.045
0.505
0.0121
94
Block-7
41
0.246
0.045
0.505
0.0127
95
Block-7
42
0.246
0.045
0.404
0.0154
96
Block-7
43
0.246
0.045
0.404
0.0157
97
Block-7
44
0.246
0.045
0.404
0.0162
98
Block-7
45
0.246
0.045
0.505
0.0197
99
Block-7
50
0.246
0.045
0.505
0.0221
100
Block-7
55
0.246
0.045
0.505
0.0233
In all these 100 simulations, the wave gauge was consistently positioned at coordinates X=1.09 m, Y=1.21 m, and Z=0.05 m. The dominant wave period for each simulation was determined using the Fast Fourier Transform (FFT) function in MATLAB (MathWorks, 2023). Furthermore, the classification of wave types was carried out using a wave categorization graph according to Sorensen (2010), as shown in Fig. 4a. The results indicate that the majority of the simulated waves are on the border between intermediate and deep-water waves, and they are categorized as Stokes waves (Fig. 4a). Four sample waveforms from our 100 numerical experiments are provided in Fig. 4b.
The dataset in Table 4 was used to derive a new predictive equation that incorporates travel distance for the first time to estimate the initial maximum tsunami amplitude. In developing this equation, a genetic algorithm optimization technique was implemented using MATLAB (MathWorks 2023). This advanced approach entailed the use of genetic algorithms (GAs), an evolutionary algorithm type inspired by natural selection processes (MathWorks, 2023). This technique is iterative, involving selection, crossover, and mutation processes to evolve solutions over several generations. The goal was to identify the optimal coefficients and powers for each landslide parameter in the predictive equation, ensuring a robust and reliable model for estimating maximum wave amplitudes. Genetic Algorithms excel at optimizing complex models by navigating through extensive combinations of coefficients and exponents. GAs effectively identify highly suitable solutions for the non-linear and complex relationships between inputs (e.g., slide volume, slope angle, travel distance, water depth) and the output (i.e., maximum initial wave amplitude, aM). MATLAB’s computational environment enhances this process, providing robust tools for GA to adapt and evolve solutions iteratively, ensuring the precision of the predictive model (Onnen et al., 1997). This approach leverages MATLAB’s capabilities to fine-tune parameters dynamically, achieving an optimal equation that accurately estimates aM. It is important to highlight that the nondimensionalized version of this dataset is employed to develop a predictive equation which enables the equation to reproduce the maximum initial wave amplitude (aM) for various subaerial landslide cases, independent of their dimensional differences (e.g., Heler and Hager 2014; Heller and Spinneken 2015; Sabeti and Heidarzadeh 2022b). For this nondimensionalization, we employed the water depth (h) to nondimensionalize the slide volume (V/h3) and travel distance (D/h). The slide thickness (s) was applied to nondimensionalize the water depth (h/s).
2.5. Landslide velocity
In discussing the critical role of landslide velocity for simulating landslide-generated waves, we focus on the mechanisms of landslide motion and the techniques used to record landslide velocity in our simulations (Fig. 5). Also, we examine how these methods were applied in two distinct scenarios: Lab 1 and Lab 2 (see Table 1 for their details). Regarding the process of landslide movement, a slide starts from a stationary state, gaining momentum under the influence of gravity and this acceleration continues until the landslide collides with water, leading to a significant reduction in its speed before eventually coming to a stop (Fig. 5) (e.g., Panizzo et al. 2005).
To measure the landslide’s velocity in our simulations, we attached a probe at the centre of the slide, which supplied a time series of the velocity data. The slide’s velocity (vs) peaks at the moment it enters the water (Fig. 5), a point referred to as the impact time (tImp). Following this initial impact, the slides continue their underwater movement, eventually coming to a complete halt (tStop). Given the results in Fig. 5, it can be seen that Lab 1, with its longer travel distance (0.070 m), exhibits a higher peak velocity of 1.89 m/s. This increase in velocity is attributed to the extended travel distance allowing more time for the slide to accelerate under gravity. Whereas Lab 2, featuring a shorter travel distance (0.045 m), records a lower peak velocity of 1.78 m/s. This difference underscores how travel distance significantly influences the dynamics of landslide motion. After reaching the peak, both profiles show a sharp decrease in velocity, marking the transition to submarine motion until the slides come to a complete stop (tStop). There are noticeable differences observable in Fig. 5 between the Lab-1 and Lab-2 simulations, including the peaks at 0.3 s . These variations might stem from the placement of the wave gauge, which differs slightly in each scenario, as well as the water depth’s minor discrepancies and, the travel distance.
2.6. Effect of air entrainment
In this section we examine whether it is required to consider air entrainment for our modelling or not as the FLOW-3D HYDRO package is capable of modelling air entrainment. The process of air entrainment in water during a landslide tsunami and its subsequent transport involve two key components: the quantification of air entrainment at the water surface, and the simulation of the air’s transport within the fluid (Hirt, 2003). FLOW-3D HYDRO employs the air entrainment model to compute the volume of air entrained at the water’s surface utilizing three approaches: a constant density model, a variable density model accounting for bulking, and a buoyancy model that adds the Drift-FLUX mechanism to variable density conditions (Flow Science, 2023). The calculation of the entrainment rate is based on the following equation:(2)�������=������[2(��−�����−2�/���)]1/2where parameters are: Vair, volume of air; Cair, entrainment rate coefficient; As, surface area of fluid; ρ, fluid density; k, turbulent kinetic energy; gn, gravity normal to surface; Lt, turbulent length scale; and σ, surface tension coefficient. The value of k is directly computed from the Reynolds-averaged Navier-Stokes (RANS) (k–w) calculations in our model.
In this study, we selected the variable density + Drift-FLUX model, which effectively captures the dynamics of phase separation and automatically activates the constant density and variable density models. This method simplifies the air-water mixture, treating it as a single, homogeneous fluid within each computational cell. For the phase volume fractions f1and f2, the velocities are expressed in terms of the mixture and relative velocities, denoted as u and ur, respectively, as follows:(3)��1��+�.(�1�)=��1��+�.(�1�)−�.(�1�2��)=0(4)��2��+�.(�2�)=��2��+�.(�2�)−�.(�1�2��)=0
The outcomes from this simulation are displayed in Fig. 6, which indicates that the influence of air entrainment on the generated wave amplitude is approximately 2 %. A value of 0.02 for the entrained air volume fraction means that, in the simulated fluid, approximately 2 % of the volume is composed of entrained air. In other words, for every unit volume of the fluid-air mixture at that location, 2 % is air and the remaining 98 % is water. The configuration of Test-17 (Table 4) was employed for this simulation. While the effect of air entrainment is anticipated to be more significant in models of granular landslide-generated waves (Fritz, 2002), in our simulations we opted not to incorporate this module due to its negligible impact on the results.
3. Results
In this section, we begin by presenting a sequence of our 3D simulations capturing different time steps to illustrate the generation process of landslide-generated waves. Subsequently, we derive a new predictive equation to estimate the maximum initial wave amplitude of landslide-generated waves and assess its performance.
3.1. Wave generation and propagation
To demonstrate the wave generation process in our simulation, we reference Test-17 from Table 4, where we employed Block-7 (Tables 3, 4). In this configuration, the slope angle was set to 45°, with a water depth of 0.246 m and a travel distance at 0.045 m (Fig. 7). At 0.220 s, the initial impact of the moving slide on the water is depicted, marking the onset of the wave generation process (Fig. 7a). Disturbances are localized to the immediate area of impact, with the rest of the water surface remaining undisturbed. At this time, a maximum water particle velocity of 1.0 m/s – 1.2 m/s is seen around the impact zone (Fig. 7d). Moving to 0.320 s, the development of the wave becomes apparent as energy transfer from the landslide to the water creates outwardly radiating waves with maximum water particle velocity of up to around 1.6 m/s – 1.8 m/s (Fig. 7b, e). By the time 0.670 s, the wave has fully developed and is propagating away from the impact point exhibiting maximum water particle velocity of up to 2.0 m/s – 2.1 m/s. Concentric wave fronts are visible, moving outwards in all directions, with a colour gradient signifying the highest wave amplitude near the point of landslide entry, diminishing with distance (Fig. 7c, f).
3.2. Influence of landslide parameters on tsunami amplitude
In this section, we investigate the effects of various landslide parameters namely slide volume (V), water depth (h), slipe angle (α) and travel distance (D) on the maximum initial wave amplitude (aM). Fig. 8 presents the outcome of these analyses. According to Fig. 8, the slide volume, slope angle, and travel distance exhibit a direct relationship with the wave amplitude, meaning that as these parameters increase, so does the amplitude. Conversely, water depth is inversely related to the maximum initial wave amplitude, suggesting that the deeper the water depth, the smaller the maximum wave amplitude will be (Fig. 8b).
Fig. 8a highlights the pronounced impact of slide volume on the aM, demonstrating a direct correlation between the two variables. For instance, in the range of slide volumes we modelled (Fig. 8a), The smallest slide volume tested, measuring 0.10 × 10−3 m3, generated a low initial wave amplitude (aM= 0.0066 m) (Table 4). In contrast, the largest volume tested, 6.25 × 10−3 m3, resulted in a significantly higher initial wave amplitude (aM= 0.0319 m) (Table 4). The extremities of these results emphasize the slide volume’s paramount impact on wave amplitude, further elucidated by their positions as the smallest and largest aM values across all conducted tests (Table 4). This is corroborated by findings from the literature (e.g., Murty, 2003), which align with the observed trend in our simulations.
The slope angle’s influence on aM was smooth. A steady increase of wave amplitude was observed as the slope angle increased (Fig. 8c). In examining travel distance, an anomaly was identified. At a travel distance of 0.047 m, there was an unexpected dip in aM, which deviates from the general increasing trend associated with longer travel distances. This singular instance could potentially be attributed to a numerical error. Beyond this point, the expected pattern of increasing aM with longer travel distances resumes, suggesting that the anomaly at 0.047 m is an outlier in an otherwise consistent trend, and thus this single data point was overlooked while deriving the predictive equation. Regarding the inverse relationship between water depth and wave amplitude, our result (Fig. 8b) is consistent with previous reports by Fritz et al. (2003), (2004), and Watts et al. (2005).
The insights from Fig. 8 informed the architecture of the predictive equation in the next Section, with slide volume, travel distance, and slope angle being multiplicatively linked to wave amplitude underscoring their direct correlations with wave amplitude. Conversely, water depth is incorporated as a divisor, representing its inverse relationship with wave amplitude. This structure encapsulates the dynamics between the landslide parameters and their influence on the maximum initial wave amplitude as discussed in more detail in the next Section.
3.3. Predictive equation
Building on our sensitivity analysis of landslide parameters, as detailed in Section 3.2, and utilizing our nondimensional dataset, we have derived a new predictive equation as follows:(5)��/ℎ=0.015(tan�)0.10(�ℎ3)0.90(�ℎ)0.10(ℎ�)−0.11where, V is sliding volume, h is water depth, α is slope angle, and s is landslide thickness. It is important to note that this equation is valid only for subaerial solid-block landslide tsunamis as all our experiments were for this type of waves. The performance of this equation in predicting simulation data is demonstrated by the satisfactory alignment of data points around a 45° line, indicating its accuracy and reliability with regard to the experimental dataset (Fig. 9). The quality of fit between the dataset and Eq. (5) is 91 % indicating that Eq. (5) represents the dataset very well. Table 5 presents Eq. (5) alongside four other similar equations previously published. Two significant distinctions between our Eq. (5) and these others are: (i) Eq. (5) is derived from 3D experiments, whereas the other four equations are based on 2D experiments. (ii) Unlike the other equations, our Eq. (5) incorporates travel distance as an independent parameter.
Table 5. Performance comparison among our newly-developed equation and existing equations for estimating the maximum initial amplitude (aM) of the 2018 Anak Krakatau subaerial landslide tsunami. Parameters: aM, initial maximum wave amplitude; h, water depth; vs, landslide velocity; V, slide volume; bs, slide width; ls, slide length; s, slide thickness; α, slope angle; and ����, volume of the final immersed landslide. We considered ����= V as the slide volume.
Geometrical and kinematic parameters of the 2018 Anak Krakatau subaerial landslide based on Heidarzadeh et al. (2020), Grilli et al. (2019) and Grilli et al. (2021): V=2.11 × 107 m3, h= 50 m; s= 114 m; α= 45°; ls=1250 m; bs= 2700 m; vs=44.9 m/s; D= 2500 m; aM= 100 m −150 m.⁎⁎
aM= An average value of aM = 134 m is considered in this study.⁎⁎⁎
The equation of Bolin et al. (2014) is based on the reformatted one reported by Lindstrøm (2016).⁎⁎⁎⁎
Error is calculated using Eq. (1), where the calculated aM is assumed as the simulated value.
Additionally, we evaluated the performance of this equation using the real-world data from the 2018 Anak Krakatau subaerial landslide tsunami. Based on previous studies (Heidarzadeh et al., 2020; Grilli et al., 2019, 2021), we were able to provide a list of parameters for the subaerial landslide and associated tsunami for the 2018 Anak Krakatau event (see footnote of Table 5). We note that the data of the 2018 Anak Krakatau event was not used while deriving Eq. (5). The results indicate that Eq. (5) predicts the initial amplitude of the 2018 Anak Krakatau tsunami as being 130 m indicating an error of 2.9 % compared to the reported average amplitude of 134 m for this event. This performance indicates an improvement compared to the previous equation reported by Sabeti and Heidarzadeh (2022a) (Table 5). In contrast, the equations from Robbe-Saule et al. (2021) and Bolin et al. (2014) demonstrate higher discrepancies of 4200 % and 77 %, respectively (Table 5). Although Noda’s (1970) equation reproduces the tsunami amplitude of 134 m accurately (Table 5), it is crucial to consider its limitations, notably not accounting for parameters such as slope angle and travel distance.
It is essential to recognize that both travel distance and slope angle significantly affect wave amplitude. In our model, captured in Eq. (5), we integrate the slope angle (α) through the tangent function, i.e., tan α. This choice diverges from traditional physical interpretations that often employ the cosine or sine function (e.g., Heller and Hager, 2014; Watts et al., 2003). We opted for the tangent function because it more effectively reflects the direct impact of slope steepness on wave generation, yielding superior estimations compared to conventional methods.
The significance of this study lies in its application of both physical and numerical 3D experiments and the derivation of a predictive equation based on 3D results. Prior research, e.g. Heller et al. (2016), has reported notable discrepancies between 2D and 3D wave amplitudes, highlighting the important role of 3D experiments. It is worth noting that the suitability of applying an equation derived from either 2D or 3D data depends on the specific geometry and characteristics inherent in the problem being addressed. For instance, in the case of a long, narrow dam reservoir, an equation derived from 2D data would likely be more suitable. In such contexts, the primary dynamics of interest such as flow patterns and potential wave propagation are predominantly two-dimensional, occurring along the length and depth of the reservoir. This simplification to 2D for narrow dam reservoirs allows for more accurate modelling of these dynamics.
This study specifically investigates waves initiated by landslides, focusing on those characterized as solid blocks instead of granular flows, with slope angles confined to a range of 25° to 60°. We acknowledge the additional complexities encountered in real-world scenarios, such as dynamic density and velocity of landslides, which could affect the estimations. The developed equation in this study is specifically designed to predict the maximum initial amplitude of tsunamis for the aforementioned specified ranges and types of landslides.
4. Conclusions
Both physical and numerical experiments were undertaken in a 3D wave basin to study solid-block landslide-generated waves and to formulate a predictive equation for their maximum initial wave amplitude. At the beginning, two physical experiments were performed to validate and calibrate a 3D numerical model, which was subsequently utilized to generate 100 experiments by varying different landslide parameters. The generated database was then used to derive a predictive equation for the maximum initial wave amplitude of landslide tsunamis. The main features and outcomes are:
•The predictive equation of this study is exclusively derived from 3D data and exhibits a fitting quality of 91 % when applied to the database.
•For the first time, landslide travel distance was considered in the predictive equation. This inclusion provides more accuracy and flexibility for applying the equation.
•To further evaluate the performance of the predictive equation, it was applied to a real-world subaerial landslide tsunami (i.e., the 2018 Anak Krakatau event) and delivered satisfactory performance.
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Funding
RS is supported by the Leverhulme Trust Grant No. RPG-2022-306. MH is funded by open funding of State Key Lab of Hydraulics and Mountain River Engineering, Sichuan University, grant number SKHL2101. We acknowledge University of Bath Institutional Open Access Fund. MH is also funded by the Great Britain Sasakawa Foundation grant no. 6217 (awarded in 2023).
Acknowledgements
Authors are sincerely grateful to the laboratory technician team, particularly Mr William Bazeley, at the Faculty of Engineering, University of Bath for their support during the laboratory physical modelling of this research. We appreciate the valuable insights provided by Mr. Brian Fox (Senior CFD Engineer at Flow Science, Inc.) regarding air entrainment modelling in FLOW-3D HYDRO. We acknowledge University of Bath Institutional Open Access Fund.
Data availability
All data used in this study are given in the body of the article.
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The coupled dynamics of interfacial fluid phases and unconstrained solid particles during the binder jet 3D printing process govern the final quality and performance of the resulting components. The present work proposes a computational fluid dynamics (CFD) and discrete element method (DEM) framework capable of simulating the complex interfacial fluid–particle interaction that occurs when binder microdroplets are deposited into a powder bed. The CFD solver uses a volume-of-fluid (VOF) method for capturing liquid–gas multifluid flows and relies on block-structured adaptive mesh refinement (AMR) to localize grid refinement around evolving fluid–fluid interfaces. The DEM module resolves six degrees of freedom particle motion and accounts for particle contact, cohesion, and rolling resistance. Fully-resolved CFD-DEM coupling is achieved through a fictitious domain immersed boundary (IB) approach. An improved method for enforcing three-phase contact lines with a VOF-IB extension technique is introduced. We present several simulations of binder jet primitive formation using realistic process parameters and material properties. The DEM particle systems are experimentally calibrated to reproduce the cohesion behavior of physical nickel alloy powder feedstocks. We demonstrate the proposed model’s ability to resolve the interdependent fluid and particle dynamics underlying the process by directly comparing simulated primitive granules with one-to-one experimental counterparts obtained from an in-house validation apparatus. This computational framework provides unprecedented insight into the fundamental mechanisms of binder jet 3D printing and presents a versatile new approach for process parameter optimization and defect mitigation that avoids the inherent challenges of experiments.
바인더 젯 3D 프린팅 공정 중 계면 유체 상과 구속되지 않은 고체 입자의 결합 역학이 결과 구성 요소의 최종 품질과 성능을 좌우합니다. 본 연구는 바인더 미세액적이 분말층에 증착될 때 발생하는 복잡한 계면 유체-입자 상호작용을 시뮬레이션할 수 있는 전산유체역학(CFD) 및 이산요소법(DEM) 프레임워크를 제안합니다.
CFD 솔버는 액체-가스 다중유체 흐름을 포착하기 위해 VOF(유체량) 방법을 사용하고 블록 구조 적응형 메쉬 세분화(AMR)를 사용하여 진화하는 유체-유체 인터페이스 주위의 그리드 세분화를 국지화합니다. DEM 모듈은 6개의 자유도 입자 운동을 해결하고 입자 접촉, 응집력 및 구름 저항을 설명합니다.
완전 분해된 CFD-DEM 결합은 가상 도메인 침지 경계(IB) 접근 방식을 통해 달성됩니다. VOF-IB 확장 기술을 사용하여 3상 접촉 라인을 강화하는 향상된 방법이 도입되었습니다. 현실적인 공정 매개변수와 재료 특성을 사용하여 바인더 제트 기본 형성에 대한 여러 시뮬레이션을 제시합니다.
DEM 입자 시스템은 물리적 니켈 합금 분말 공급원료의 응집 거동을 재현하기 위해 실험적으로 보정되었습니다. 우리는 시뮬레이션된 기본 과립과 내부 검증 장치에서 얻은 일대일 실험 대응물을 직접 비교하여 프로세스의 기본이 되는 상호 의존적인 유체 및 입자 역학을 해결하는 제안된 모델의 능력을 보여줍니다.
이 계산 프레임워크는 바인더 제트 3D 프린팅의 기본 메커니즘에 대한 전례 없는 통찰력을 제공하고 실험에 내재된 문제를 피하는 공정 매개변수 최적화 및 결함 완화를 위한 다용도의 새로운 접근 방식을 제시합니다.
Introduction
Binder jet 3D printing (BJ3DP) is a powder bed additive manufacturing (AM) technology capable of fabricating geometrically complex components from advanced engineering materials, such as metallic superalloys and ultra-high temperature ceramics [1], [2]. As illustrated in Fig. 1(a), the process is comprised of many repetitive print cycles, each contributing a new cross-sectional layer on top of a preceding one to form a 3D CAD-specified geometry. The feedstock material is first delivered from a hopper to a build plate and then spread into a thin layer by a counter-rotating roller. After powder spreading, a print head containing many individual inkjet nozzles traverses over the powder bed while precisely jetting binder microdroplets onto select regions of the spread layer. Following binder deposition, the build plate lowers by a specified layer thickness, leaving a thin void space at the top of the job box that the subsequent powder layer will occupy. This cycle repeats until the full geometries are formed layer by layer. Powder bed fusion (PBF) methods follow a similar procedure, except they instead use a laser or electron beam to selectively melt and fuse the powder material. Compared to PBF, binder jetting offers several distinct advantages, including faster build rates, enhanced scalability for large production volumes, reduced machine and operational costs, and a wider selection of suitable feedstock materials [2]. However, binder jetted parts generally possess inferior mechanical properties and reduced dimensional accuracy [3]. As a result, widescale adoption of BJ3DP to fabricate high-performance, mission-critical components, such as those common to the aerospace and defense sectors, is contingent on novel process improvements and innovations [4].
A major obstacle hindering the advancement of BJ3DP is our limited understanding of how various printing parameters and material properties collectively influence the underlying physical mechanisms of the process and their effect on the resulting components. To date, the vast majority of research efforts to uncover these relationships have relied mainly on experimental approaches [5], [6], [7], [8], [9], [10], [11], [12], [13], [14], [15], [16], [17], [18], [19], which are often expensive and time-consuming and have inherent physical restrictions on what can be measured and observed. For these reasons, there is a rapidly growing interest in using computational models to circumvent the challenges of experimental investigations and facilitate a deeper understanding of the process’s fundamental phenomena. While significant progress has been made in developing and deploying numerical frameworks aimed at powder spreading [20], [21], [22], [23], [24], [25], [26], [27] and sintering [28], [29], [30], [31], [32], simulating the interfacial fluid–particle interaction (IFPI) in the binder deposition stage is still in its infancy. In their exhaustive review, Mostafaei et al. [2] point out the lack of computational models capable of resolving the coupled fluid and particle dynamics associated with binder jetting and suggest that the development of such tools is critical to further improving the process and enhancing the quality of its end-use components.
We define IFPI as a multiphase flow regime characterized by immiscible fluid phases separated by dynamic interfaces that intersect the surfaces of moving solid particles. As illustrated in Fig. 1(b), an elaborate IFPI occurs when a binder droplet impacts the powder bed in BJ3DP. The momentum transferred from the impacting droplet may cause powder compaction, cratering, and particle ejection. These ballistic disturbances can have deleterious effects on surface texture and lead to the formation of large void spaces inside the part [5], [13]. After impact, the droplet spreads laterally on the bed surface and vertically into the pore network, driven initially by inertial impact forces and then solely by capillary action [33]. Attractive capillary forces exerted on mutually wetted particles tend to draw them inward towards each other, forming a packed cluster of bound particles referred to as a primitive [34]. A single-drop primitive is the most fundamental building element of a BJ3DP part, and the interaction leading to its formation has important implications on the final part characteristics, such as its mechanical properties, resolution, and dimensional accuracy. Generally, binder droplets are deposited successively as the print head traverses over the powder bed. The traversal speed and jetting frequency are set such that consecutive droplets coalesce in the bed, creating a multi-drop primitive line instead of a single-drop primitive granule. The binder must be jetted with sufficient velocity to penetrate the powder bed deep enough to provide adequate interlayer binding; however, a higher impact velocity leads to more pronounced ballistic effects.
A computational framework equipped to simulate the interdependent fluid and particle dynamics in BJ3DP would allow for unprecedented observational and measurement capability at temporal and spatial resolutions not currently achievable by state-of-the-art imaging technology, namely synchrotron X-ray imaging [13], [14], [18], [19]. Unfortunately, BJ3DP presents significant numerical challenges that have slowed the development of suitable modeling frameworks; the most significant of which are as follows:
1.Incorporating dynamic fluid–fluid interfaces with complex topological features remains a nontrivial task for standard mesh-based CFD codes. There are two broad categories encompassing the methods used to handle interfacial flows: interface tracking and interface capturing [35]. Interface capturing techniques, such as the popular volume-of-fluid (VOF) [36] and level-set methods [37], [38], are better suited for problems with interfaces that become heavily distorted or when coalescence and fragmentation occur frequently; however, they are less accurate in resolving surface tension and boundary layer effects compared to interface tracking methods like front-tracking [39], arbitrary Lagrangian–Eulerian [40], and space–time finite element formulations [41]. Since interfacial forces become increasingly dominant at decreasing length scales, inaccurate surface tension calculations can significantly deteriorate the fidelity of IFPI simulations involving <100 μm droplets and particles.
2.Dynamic powder systems are often modeled using the discrete element method (DEM) introduced by Cundall and Strack [42]. For IFPI problems, a CFD-DEM coupling scheme is required to exchange information between the fluid and particle solvers. Fully-resolved CFD-DEM coupling suggests that the flow field around individual particle surfaces is resolved on the CFD mesh [43], [44]. In contrast, unresolved coupling volume averages the effect of the dispersed solid phase on the continuous fluid phases [45], [46], [47], [48]. Comparatively, the former is computationally expensive but provides detailed information about the IFPI in question and is more appropriate when contact line dynamics are significant. However, since the pore structure of a powder bed is convoluted and evolves with time, resolving such solid–fluid interfaces on a computational mesh presents similar challenges as fluid–fluid interfaces discussed in the previous point. Although various algorithms have been developed to deform unstructured meshes to accommodate moving solid surfaces (see Bazilevs et al. [49] for an overview of such methods), they can be prohibitively expensive when frequent topology changes require mesh regeneration rather than just modification through nodal displacement. The pore network in a powder bed undergoes many topology changes as particles come in and out of contact with each other, constantly closing and opening new flow channels. Non-body-conforming structured grid approaches that rely on immersed boundary (IB) methods to embed the particles in the flow field can be better suited for such cases [50]. Nevertheless, accurately representing these complex pore geometries on Cartesian grids requires extremely high mesh resolutions, which can impose significant computational costs.
3.Capillary effects depend on the contact angle at solid–liquid–gas intersections. Since mesh nodes do not coincide with a particle surface when using an IB method on structured grids, imposing contact angle boundary conditions at three-phase contact lines is not straightforward.
While these issues also pertain to PBF process modeling, resolving particle motion is generally less crucial for analyzing melt pool dynamics compared to primitive formation in BJ3DP. Therefore, at present, the vast majority of computational process models of PBF assume static powder beds and avoid many of the complications described above, see, e.g., [51], [52], [53], [54], [55], [56], [57], [58], [59]. Li et al. [60] presented the first 2D fully-resolved CFD-DEM simulations of the interaction between the melt pool, powder particles, surrounding gas, and metal vapor in PBF. Following this work, Yu and Zhao [61], [62] published similar melt pool IFPI simulations in 3D; however, contact line dynamics and capillary forces were not considered. Compared to PBF, relatively little work has been published regarding the computational modeling of binder deposition in BJ3DP. Employing the open-source VOF code Gerris [63], Tan [33] first simulated droplet impact on a powder bed with appropriate binder jet parameters, namely droplet size and impact velocity. However, similar to most PBF melt pool simulations described in the current literature, the powder bed was fixed in place and not allowed to respond to the interacting fluid phases. Furthermore, a simple face-centered cubic packing of non-contacting, monosized particles was considered, which does not provide a realistic pore structure for AM powder beds. Building upon this approach, we presented a framework to simulate droplet impact on static powder beds with more practical particle size distributions and packing arrangements [64]. In a study similar to [33], [64], Deng et al. [65] used the VOF capability in Ansys Fluent to examine the lateral and vertical spreading of a binder droplet impacting a fixed bimodal powder bed with body-centered packing. Li et al. [66] also adopted Fluent to conduct 2D simulations of a 100 μm diameter droplet impacting substrates with spherical roughness patterns meant to represent the surface of a simplified powder bed with monosized particles. The commercial VOF-based software FLOW-3D offers an AM module centered on process modeling of various AM technologies, including BJ3DP. However, like the above studies, particle motion is still not considered in this codebase. Ur Rehman et al. [67] employed FLOW-3D to examine microdroplet impact on a fixed stainless steel powder bed. Using OpenFOAM, Erhard et al. [68] presented simulations of different droplet impact spacings and patterns on static sand particles.
Recently, Fuchs et al. [69] introduced an impressive multipurpose smoothed particle hydrodynamics (SPH) framework capable of resolving IFPI in various AM methods, including both PBF and BJ3DP. In contrast to a combined CFD-DEM approach, this model relies entirely on SPH meshfree discretization of both the fluid and solid governing equations. The authors performed several prototype simulations demonstrating an 80 μm diameter droplet impacting an unconstrained powder bed at different speeds. While the powder bed responds to the hydrodynamic forces imparted by the impacting droplet, the particle motion is inconsistent with experimental time-resolved observations of the process [13]. Specifically, the ballistic effects, such as particle ejection and bed deformation, were drastically subdued, even in simulations using a droplet velocity ∼ 5× that of typical jetting conditions. This behavior could be caused by excessive damping in the inter-particle contact force computations within their SPH framework. Moreover, the wetted particles did not appear to be significantly influenced by the strong capillary forces exerted by the binder as no primitive agglomeration occurred. The authors mention that the objective of these simulations was to demonstrate their codebase’s broad capabilities and that some unrealistic process parameters were used to improve computational efficiency and stability, which could explain the deviations from experimental observations.
In the present paper, we develop a novel 3D CFD-DEM numerical framework for simulating fully-resolved IFPI during binder jetting with realistic material properties and process parameters. The CFD module is based on the VOF method for capturing binder–air interfaces. Surface tension effects are realized through the continuum surface force (CSF) method with height function calculations of interface curvature. Central to our fluid solver is a proprietary block-structured AMR library with hierarchical octree grid nesting to focus enhanced grid resolution near fluid–fluid interfaces. The GPU-accelerated DEM module considers six degrees of freedom particle motion and includes models based on Hertz-Mindlin contact, van der Waals cohesion, and viscoelastic rolling resistance. The CFD and DEM modules are coupled to achieve fully-resolved IFPI using an IB approach in which Lagrangian solid particles are mapped to the underlying Eulerian fluid mesh through a solid volume fraction field. An improved VOF-IB extension algorithm is introduced to enforce the contact angle at three-phase intersections. This provides robust capillary flow behavior and accurate computations of the fluid-induced forces and torques acting on individual wetted particles in densely packed powder beds.
We deploy our integrated codebase for direct numerical simulations of single-drop primitive formation with powder beds whose particle size distributions are generated from corresponding laboratory samples. These simulations use jetting parameters similar to those employed in current BJ3DP machines, fluid properties that match commonly used aqueous polymeric binders, and powder properties specific to nickel alloy feedstocks. The cohesion behavior of the DEM powder is calibrated based on the angle of repose of the laboratory powder systems. The resulting primitive granules are compared with those obtained from one-to-one experiments conducted using a dedicated in-house test apparatus. Finally, we demonstrate how the proposed framework can simulate more complex and realistic printing operations involving multi-drop primitive lines.
Section snippets
Mathematical description of interfacial fluid–particle interaction
This section briefly describes the governing equations of fluid and particle dynamics underlying the CFD and DEM solvers. Our unified framework follows an Eulerian–Lagrangian approach, wherein the Navier–Stokes equations of incompressible flow are discretized on an Eulerian grid to describe the motion of the binder liquid and surrounding gas, and the Newton–Euler equations account for the positions and orientations of the Lagrangian powder particles. The mathematical foundation for
CFD solver for incompressible flow with multifluid interfaces
This section details the numerical methodology used in our CFD module to solve the Navier–Stokes equations of incompressible flow. First, we introduce the VOF method for capturing the interfaces between the binder and air phases. This approach allows us to solve the fluid dynamics equations considering only a single continuum field with spatial and temporal variations in fluid properties. Next, we describe the time integration procedure using a fractional-step projection algorithm for
DEM solver for solid particle dynamics
This section covers the numerical procedure for tracking the motion of individual powder particles with DEM. The Newton–Euler equations (Eqs. (10), (11)) are ordinary differential equations (ODEs) for which many established numerical integrators are available. In general, the most challenging aspects of DEM involve processing particle collisions in a computationally efficient manner and dealing with small time step constraints that result from stiff materials, such as metallic AM powders. The
Unified CFD-DEM solver
The preceding sections have introduced the CFD and DEM solution algorithms separately. Here, we discuss the integrated CFD-DEM solution algorithm and related details.
Binder jet process modeling and validation experiments
In this section, we deploy our CFD-DEM framework to simulate the IFPI occurring during the binder droplet deposition stage of the BJ3DP process. The first simulations attempt to reproduce experimental single-drop primitive granules extracted from four nickel alloy powder samples with varying particle size distributions. The experiments are conducted with a dedicated in-house test apparatus that allows for the precision deposition of individual binder microdroplets into a powder bed sample. The
Conclusions
This paper introduces a coupled CFD-DEM framework capable of fully-resolved simulation of the interfacial fluid–particle interaction occurring in the binder jet 3D printing process. The interfacial flow of binder and surrounding air is captured with the VOF method and surface tension effects are incorporated using the CSF technique augmented by height function curvature calculations. Block-structured AMR is employed to provide localized grid refinement around the evolving liquid–gas interface.
CRediT authorship contribution statement
Joshua J. Wagner: Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Visualization, Writing – original draft, Writing – review & editing. C. Fred Higgs III: Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – original draft, Writing – review & editing.
Declaration of competing interest
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Acknowledgments
This work was supported by a NASA Space Technology Research Fellowship, United States of America, Grant No. 80NSSC19K1171. Partial support was also provided through an AIAA Foundation Orville, USA and Wilbur Wright Graduate Award, USA . The authors would like to gratefully acknowledge Dr. Craig Smith of NASA Glenn Research Center for the valuable input he provided on this project.
Formation of a quasi-steady molten pool is one of the necessary conditions for achieving excellent quality in many laser processes. The influences of distribution characteristics of powder sizes on quasi-stability of the molten pool shape during single-track powder bed fusion-laser beam (PBF-LB) of molybdenum and the underlying mechanism were investigated.
The feasibility of improving quasi-stability of the molten pool shape by increasing the laser energy conduction effect and preheating was explored. Results show that an increase in the range of powder sizes does not significantly influence the average laser energy conduction effect in PBF-LB process. Whereas, it intensifies fluctuations of the transient laser energy conduction effect.
It also leads to fluctuations of the replenishment rate of metals, difficulty in formation of the quasi-steady molten pool, and increased probability of incomplete fusion and pores defects. As the laser power rises, the laser energy conduction effect increases, which improves the quasi-stability of the molten pool shape. When increasing the laser scanning speed, the laser energy conduction effect grows.
However, because the molten pool size reduces due to the decreased heat input, the replenishment rate of metals of the molten pool fluctuates more obviously and the quasi-stability of the molten pool shape gets worse. On the whole, the laser energy conduction effect in the PBF-LB process of Mo is low (20-40%). The main factor that affects quasi-stability of the molten pool shape is the amount of energy input per unit length of the scanning path, rather than the laser energy conduction effect.
Moreover, substrate preheating can not only enlarge the molten pool size, particularly the length, but also reduce non-uniformity and discontinuity of surface morphologies of clad metals and inhibit incomplete fusion and pores defects.
준안정 용융 풀의 형성은 많은 레이저 공정에서 우수한 품질을 달성하는 데 필요한 조건 중 하나입니다. 몰리브덴의 단일 트랙 분말층 융합 레이저 빔(PBF-LB) 동안 용융 풀 형태의 준안정성에 대한 분말 크기 분포 특성의 영향과 그 기본 메커니즘을 조사했습니다.
레이저 에너지 전도 효과와 예열을 증가시켜 용융 풀 형태의 준안정성을 향상시키는 타당성을 조사했습니다. 결과는 분말 크기 범위의 증가가 PBF-LB 공정의 평균 레이저 에너지 전도 효과에 큰 영향을 미치지 않음을 보여줍니다. 반면, 과도 레이저 에너지 전도 효과의 변동이 강화됩니다.
이는 또한 금속 보충 속도의 변동, 준안정 용융 풀 형성의 어려움, 불완전 융합 및 기공 결함 가능성 증가로 이어집니다. 레이저 출력이 증가함에 따라 레이저 에너지 전도 효과가 증가하여 용융 풀 모양의 준 안정성이 향상됩니다. 레이저 스캐닝 속도를 높이면 레이저 에너지 전도 효과가 커집니다.
그러나 열 입력 감소로 인해 용융 풀 크기가 줄어들기 때문에 용융 풀의 금속 보충 속도의 변동이 더욱 뚜렷해지고 용융 풀 형태의 준안정성이 악화됩니다.
전체적으로 Mo의 PBF-LB 공정에서 레이저 에너지 전도 효과는 낮다(20~40%). 용융 풀 형상의 준안정성에 영향을 미치는 주요 요인은 레이저 에너지 전도 효과보다는 스캐닝 경로의 단위 길이당 입력되는 에너지의 양입니다.
또한 기판 예열은 용융 풀 크기, 특히 길이를 확대할 수 있을 뿐만 아니라 클래드 금속 표면 형태의 불균일성과 불연속성을 줄이고 불완전한 융합 및 기공 결함을 억제합니다.
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Microstructural defects in laser powder bed fusion (LPBF) metallic materials are correlated with processing parameters. A multi-physics model and a crystal plasticity framework are employed to predict microstructure growth in molten pools and assess the impact of manufacturing defects on plastic damage parameters. Criteria for optimising the LPBF process are identified, addressing microstructural defects and tensile properties of LPBF Hastelloy X at various volumetric energy densities (VED). The results show that higher VED levels foster a specific Goss texture {110} <001>, with irregular lack of fusion defects significantly affecting plastic damage, especially near the material surface. A critical threshold emerges between manufacturing defects and grain sizes in plastic strain accumulation. The optimal processing window for superior Hastelloy X mechanical properties ranges from 43 to 53 J/mm3 . This work accelerates the development of superior strengthductility alloys via LPBF, streamlining the trial-and-error process and reducing associated costs.
Figure 3. The simulated temperature distribution and single-layer multi-track isothermograms of LPBF Hastelloy X, located at the bottom of the powder bed, are presented for various laser energy densities. (a) depicts the single-point temperature distribution at the bottom of the powder bed, followed by the isothermograms corresponding to laser energy densities of (b) 31 J/mm3 , (c) 43 J/mm3 , (d) 53 J/mm3 , (e) 67 J/mm3 , and (f) 91 J/mm3 .
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적층 제조는 바이메탈 및 다중 재료 구조의 제작 가능성을 제공합니다. 그러나 재료 호환성과 접착성은 부품의 성형성과 최종 품질에 직접적인 영향을 미칩니다. 적합한 프로세스를 기반으로 다양한 재료 조합의 기본 인쇄 가능성을 이해하는 것이 중요합니다.
여기에서는 두 가지 일반적이고 매력적인 재료 조합(니켈 및 철 기반 합금)의 인쇄 적성 차이가 레이저 지향 에너지 증착(DED)을 통해 거시적 및 미시적 수준에서 평가됩니다.
증착 프로세스는 현장 고속 이미징을 사용하여 캡처되었으며, 용융 풀 특징 및 트랙 형태의 차이점은 특정 프로세스 창 내에서 정량적으로 조사되었습니다. 더욱이, 다양한 재료 쌍으로 처리된 트랙과 블록의 미세 구조 다양성이 비교적 정교해졌고, 유익한 다중 물리 모델링을 통해 이종 재료 쌍 사이에 제시된 기계적 특성(미세 경도)의 불균일성이 합리화되었습니다.
재료 쌍의 서로 다른 열물리적 특성에 의해 유발된 용융 흐름의 차이와 응고 중 결과적인 요소 혼합 및 국부적인 재합금은 재료 조합 간의 인쇄 적성에 나타난 차이점을 지배합니다.
이 작업은 서로 다른 재료의 증착에서 현상학적 차이에 대한 심층적인 이해를 제공하고 바이메탈 부품의 보다 안정적인 DED 성형을 안내하는 것을 목표로 합니다.
Additive manufacturing provides achievability for the fabrication of bimetallic and multi-material structures; however, the material compatibility and bondability directly affect the parts’ formability and final quality. It is essential to understand the underlying printability of different material combinations based on an adapted process. Here, the printability disparities of two common and attractive material combinations (nickel- and iron-based alloys) are evaluated at the macro and micro levels via laser directed energy deposition (DED). The deposition processes were captured using in situ high-speed imaging, and the dissimilarities in melt pool features and track morphology were quantitatively investigated within specific process windows. Moreover, the microstructure diversity of the tracks and blocks processed with varied material pairs was comparatively elaborated and, complemented with the informative multi-physics modeling, the presented non-uniformity in mechanical properties (microhardness) among the heterogeneous material pairs was rationalized. The differences in melt flow induced by the unlike thermophysical properties of the material pairs and the resulting element intermixing and localized re-alloying during solidification dominate the presented dissimilarity in printability among the material combinations. This work provides an in-depth understanding of the phenomenological differences in the deposition of dissimilar materials and aims to guide more reliable DED forming of bimetallic parts.
Figure 1. Experimental setup and materials. (a) Schematic of the DED process, where three types of base materials were adopted—B1
(IN718), B2 (IN625), and B3 (SS316L), and two types of powder materials were adopted—P1 (IN718) and P2 (SS316L). (b) In situ
high-speed imaging of powder flow and the SEM images of IN718 and SS316L powder particle. (c) Powder size statistics, and (d) element
composition of powder IN718 (P1) and SS316L (P2).Figure 2. Deposition process and the track morphology. (a)–(c) Display the in situ captured tableaux of melt propagation and some physical
features during depositing for P1B1, P1B2, and P1B3, respectively. (d) The profiles of the melt pool at a frame of (t0 + 1) ms, and the flow
streamlines in the molten pool of each case. (e) The outer surface of the formed tracks, in which the colored arrows mark the scanning
direction. (f) Cross-section of the tracks. The parameter set used for in situ imaging was P-1000 W, S-600 mm·min–1, F-18 g·min–1. All the
scale bars are 2 mm.
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Solute segregation significantly affects material properties and is a critical issue in the laser powder-bed fusion (LPBF) additive manufacturing (AM) of Ni-based superalloys. To the best of our knowledge, this is the first study to demonstrate a computational thermal-fluid dynamics (CtFD) simulation coupled multi-phase-field (MPF) simulation with a multicomponent-composition model of Ni-based superalloy to predict solute segregation under solidification conditions in LPBF. The MPF simulation of the Hastelloy-X superalloy reproduced the experimentally observed submicron-sized cell structure. Significant solute segregations were formed within interdendritic regions during solidification at high cooling rates of up to 108 K s-1, a characteristic feature of LPBF. Solute segregation caused a decrease in the solidus temperature (TS), with a reduction of up to 30.4 K, which increases the risk of liquation cracks during LPBF. In addition, the segregation triggers the formation of carbide phases, which increases the susceptibility to ductility dip cracking. Conversely, we found that the decrease in TS is suppressed at the melt-pool boundary regions, where re-remelting occurs during the stacking of the layer above. Controlling the re-remelting behavior is deemed to be crucial for designing crack-free alloys. Thus, we demonstrated that solute segregation at the various interfacial regions of Ni-based multicomponent alloys can be predicted by the conventional MPF simulation. The design of crack-free Ni-based superalloys can be expedited by MPF simulations of a broad range of element combinations and their concentrations in multicomponent Ni-based superalloys.
Additive manufacturing (AM) technologies have attracted considerable attention as they allow us to easily build three-dimensional (3D) parts with complex geometries. Among the wide range of available AM techniques, laser powder-bed fusion (LPBF) has emerged as a preferred technique for metal AM [1], [2], [3], [4], [5]. In LPBF, metal products are built layer-by-layer by scanning laser, which fuse metal powder particles into bulk solids.
Significant attempts have been made to integrate LPBF techniques within the aerospace industry, with a particular focus on weldable Ni-based superalloys, such as IN718 [6], [7], [8], IN625 [9], [10], and Hastelloy-X (HX) [11], [12], [13], [14]. Non-weldable alloys, such as IN738LC [15], [16] and CMSX-4 [1], [17] are also suitable for their sufficient creep resistance under higher temperature conditions. However, non-weldable alloys are difficult to build using LPBF because of their susceptibility to cracking during the process. In general, a macro solute-segregation during solidification is suppressed by the rapid cooling conditions (up to 108 K s-1) unique to the LPBF process [18]. However, the solute segregation still occurs in the interdendritic regions that are smaller than the micrometer scale [5], [19], [20], [21]; these regions are suggested to be related to the hot cracks in LPBF-fabricated parts. Therefore, an understanding of solute segregation is essential for the fabrication of reliable LPBF-fabricated parts while avoiding cracks.
The multiphase-field (MPF) method has gained popularity for modeling the microstructure evolution and solute segregation under rapid cooling conditions [5], [20], [21], [22], [23], [24], [25], [26], [27], [28]. Moreover, quantifiable predictions have been achieved by combining the MPF method with temperature distribution analysis methods such as the finite-element method (FEM) [20] and computational thermal-fluid dynamics (CtFD) simulations [28]. These aforementioned studies have used binary-approximated multicomponent systems, such as Ni–Nb binary alloys, to simulate IN718 alloys. While MPF simulations using binary alloy systems can effectively reproduce microstructure formations and segregation behaviors, the binary approximation might be affected by the chemical interactions between the removed solute elements in the target multicomponent alloy. The limit of absolute stability predicted by the Mullins-Sekerka theory [29] is also crucial because the limit velocity is close to the solidification rate in the LPBF process and is different in multicomponent and binary-approximated systems. The difference between the solidus and liquidus temperatures, ΔT0, directly determines the absolute stability according to the Mullins-Sekerka theory. For example, the ΔT0 values of IN718 and its binary-approximated Ni–5 wt.%Nb alloy are 134 K [28] and 71 K [30], respectively. The solidification rate compared to the limit of absolute stability, i.e., the relative non-equilibrium of solidification, changes by simplification of the system. It is therefore important to use the composition of the actual multicomponent system in such simulations. However, to the best of our knowledge, there is no MPF simulation using a multicomponent model coupled with a temperature analysis simulation to predict solute segregation in a Ni-based superalloy.
In this study, we demonstrate that the conventional MPF model can reproduce experimentally observed dendritic structures by performing a phase-field simulation using the temperature distribution obtained by a CtFD simulation of a multicomponent Ni-based alloy (conventional solid-solution hardening-type HX). The MPF simulation revealed that the segregation behavior of solute elements largely depends on the regions of the melt pool, such as the cell boundary, the interior of the melt-pool boundary, and heat-affected regions. The sensitivities of the various interfaces to liquation and solidification cracks are compared based on the predicted concentration distributions. Moreover, the feasibility of using the conventional MPF model for LPBF is discussed in terms of the absolute stability limit.
2. Methods
2.1. Laser-beam irradiation experiments
Rolled and recrystallized HX ingots with dimensions of 20 × 50 × 10 mm were used as the specimens for laser-irradiation experiments. The specimens were irradiated with a laser beam scanned along straight lines of 10 mm in length using a laser AM machine (EOS 290 M, EOS) equipped with a 400 W Yb-fiber laser. Irradiation was performed with a beam power of P = 300 W and a scanning speed of V = 600 mm s-1, which are the conditions generally used in the LPBF fabrication of Ni-based superalloy [8]. The corresponding line energy was 0.5 J mm-1. The samples were cut perpendicular to the beam-scanning direction for cross-sectional observation using a field-emission scanning electron microscope (FE-SEM, JEOL JSM 6500). Crystal orientation analysis was performed by electron backscatter diffraction (EBSD). The sizes of each crystal grain and their aspect ratios were evaluated by analyzing the EBSD data.
2.2. CtFD simulation
CtFD simulations of the laser-beam irradiation of HX were performed using a 3D thermo-fluid analysis software (Flow Science FLOW-3D® with Flow-3D Weld module). A Gaussian heat source model was used, in which the irradiation intensity distribution of the beam is regarded as a symmetrical Gaussian distribution over the entire beam. The distribution of the beam irradiation intensity is expressed by the following equation.(1)q̇=2ηPπR2exp−2r2R2.
Here, P is the power, R is the effective beam radius, r is the actual beam radius, and η is the beam absorption rate of the substrate. To improve the accuracy of the model, η was calculated by assuming multiple reflections using the Fresnel equation:(2)�=1−121+1−�cos�21+1+�cos�2+�2−2�cos�+2cos2��2+2�cos�+2cos2�.
ε is the Fresnel coefficient and θ is the incident angle of the laser. A local laser melt causes the vaporization of the material and results in a high vapor pressure. This vapor pressure acts as a recoil pressure on the surface, pushing the weld pool down. The recoil pressure is reproduced using the following equation.(3)precoil=Ap0exp∆HLVRTV1−TVT.
Here, p0 is the atmospheric pressure, ∆HLV is the latent heat of vaporization, R is the gas constant, and TV is the boiling point at the saturated vapor pressure. A is a ratio coefficient that is generally assumed to be 0.54, indicating that the recoil pressure due to evaporation is 54% of the vapor pressure at equilibrium on the liquid surface.
Table 1 shows the parameters used in the simulations. Most parameters were evaluated using an alloy physical property calculation software (Sente software JMatPro v11). The values in a previously published study [31] were used for the emissivity and the Stefan–Boltzmann constant, and the values for pure Ni [32] were used for the heat of vaporization and vaporization temperatures. The Fresnel coefficient, which determines the beam absorption efficiency, was used as a fitting parameter to reproduce the morphology of the experimentally observed melt region, and a Fresnel coefficient of 0.12 was used in this study.
The dimensions of the computational domain of the numerical model were 4.0 mm in the beam-scanning direction, 0.4 mm in width, and 0.3 mm in height. A uniform mesh size of 10 μm was applied throughout the computational domain. The boundary condition of continuity was applied to all boundaries except for the top surface. The temperature was initially set to 300 K. P and V were set to their experimental values, i.e., 300 W and 600 mm s-1, respectively. Solidification conditions based on the temperature gradient, G, the solidification rate, R, and the cooling rate were evaluated, and the obtained temperature distribution was used in the MPF simulations.
2.3. MPF simulation
Two-dimensional MPF simulations weakly coupled with the CtFD simulation were performed using the Microstructure Evolution Simulation Software (MICRESS) [33], [34], [35], [36], [37] with the TQ-Interface for Thermo-Calc [38]. A simplified HX alloy composition of Ni-21.4Cr-17.6Fe-0.46Mn-8.80Mo-0.39Si-0.50W-1.10Co-0.08 C (mass %) was used in this study. The Gibbs free energy and diffusion coefficient of the system were calculated using the TCNI9 thermodynamic database [39] and the MOBNi5 mobility database [40]. Τhe equilibrium phase diagram calculated using Thermo-Calc indicates that the face-centered cubic (FCC) and σ phases appear as the equilibrium solid phases [19]. However, according to the time-temperature-transformation (TTT) diagram [41], the phases are formed after the sample is maintained for tens of hours in a temperature range of 1073 to 1173 K. Therefore, only the liquid and FCC phases were assumed to appear in the MPF simulations. The simulation domain was 5 × 100 μm, and the grid size Δx and interface width were set to 0.025 and 0.1 µm, respectively. The interfacial mobility between the solid and liquid phases was set to 1.0 × 10-8 m4 J-1 s-1. Initially, one crystalline nucleus with a [100] crystal orientation was placed at the left bottom of the simulation domain, with the liquid phase occupying the remainder of the domain. The model was solidified under the temperature field distribution obtained by the CtFD simulation. The concentration distribution and crystal orientation of the solidified model were examined. The primary dendrite arm space (PDAS) was compared to the experimental PDAS measured by the cross-sectional SEM observation.
In an actual LPBF process, solidified layers are remelted and resolidified during the stacking of the one layer above, thereby greatly affecting solute element distributions in those regions. Therefore, remelting and resolidification simulations were performed to examine the effect of remelting on solute segregation. The solidified model was remelted and resolidified by applying a time-dependent temperature field shifted by 60 μm in the height direction, assuming reheating during the stacking of the upper layer (i.e., the upper 40 μm region of the simulation box was remelted and resolidified). The changes in the composition distribution and formed microstructure were investigated.
3. Results
3.1. Experimental observation of melt pool
Fig. 1 shows a cross-sectional optical microscopy image and corresponding inverse pole figure (IPF) orientation maps obtained from the laser-melted region of HX. The dashed line indicates the fusion line. A deep melted region was formed by keyhole-mode melting due to the vaporization of the metal and resultant recoil pressure. Epitaxial growth from the unmelted region was observed. Columnar crystal grains with an average diameter of 5.46 ± 0.32 μm and an aspect ratio of 3.61 ± 0.13 appeared at the melt regions (Figs. 1b–1d). In addition, crystal grains growing in the z direction could be observed in the lower center.
Fig. 2a shows a cross-sectional backscattering electron image (BEI) obtained from the laser-melted region indicated by the black square in Fig. 1a. The bright particles with a diameter of approximately 2 μm observed outside the melt pool. It is well known that M6C, M23C6, σ, and μ precipitate phases are formed in Hastelloy-X [41]. These precipitates mainly consisted of Mo, Cr, Fe, and Ni; The μ and M6C phases are rich in Mo, while the σ and M23C6 phases are rich in Cr. The SEM energy dispersive X-ray spectroscopy analysis suggested that the bright particles are the stable precipitates as shown in Fig. S2 and Table S1. Conversely, there are no carbides in the melt pool. This suggests that the cooling rate is extremely high during LPBF, which prevents the formation of a stable carbide during solidification. Figs. 2b–2f show magnified BEI images at different height positions indicated in Fig. 2a. Bright regions are observed between the cells, which become fragmentary at the center of the melt pool, as indicated by the yellow arrow heads in Figs. 2e and 2f.
3.2. CtFD simulation
Figs. 3a–3c show snapshots of the CtFD simulation of HX at 2.72 ms, with the temperature indicated in color. A melt pool with an elongated teardrop shape formed and keyhole-mode melting was observed at the front of the melt region. The cooling rate, temperature gradient (G), and solidification rate (R) were evaluated from the temporal change in the temperature distribution of the CtFD simulation results. The z-position of the solid/liquid interface during the melting and solidification processes is shown in Fig. 3d. The interface goes down rapidly during melting and then rises during solidification. The MPF simulation of the microstructure formation during solidification was performed using the temperature distribution. Moreover, the microstructure formation process during the fabrication of the upper layer was investigated by remelting and resolidifying the solidified layer using the same temperature distribution with a 60 μm upward shift, corresponding to the layer thickness commonly used in the LPBF of Ni-based superalloys.
Figs. 4a–4c show the changes in the cooling rate, temperature gradient, and solidification rate in the center line of the melt pool parallel to the z direction. To output the solidification conditions at the solid/liquid interface in the melt pool, only the data of the mesh where the solid phase ratio was close to 0.5 were plotted. Solidification occurred where the cooling rate was in the range of 2.1 × 105–1.6 × 106 K s-1, G was in the range of 3.6 × 105–1.9 × 107 K m-1, and R was in the range of 8.2 × 10−2–6.3 × 10−1 m s-1. The cooling rate was the highest near the fusion line and decreased as the interface approached the center of the melt region (Fig. 4a). G also exhibited the highest value in the regions near the fusion line and decreased throughout the solid/liquid interface toward the center of the melt pool (Fig. 4b). R had the lowest value near the fusion line and increased as the interface approached the center of the melt region (Fig. 4c).
3.3. MPF simulations coupled with CtFD simulation
MPF simulations of solidification, remelting, and resolidification were performed using the temperature-time distribution obtained by the CtFD simulation. Fig. 5 shows the MPF solidified models colored by phase and Mo concentration. All the computational domains show the FCC phase after the solidification (Fig. 5a). Dendrites grew parallel to the heat flow direction, and solute segregations were observed in the interdendritic regions. At the bottom of the melt pool (Fig. 5d), planar interface growth occurred before the formation of primary dendrites. The bottom of the melt pool is the turning point of the solid/liquid interface from the downward motion in melting to the upward motion in solidification. Thus, the solidification rate at the boundary is zero, and is extremely low immediately above the molt-pool boundary. Here, the lower limit of the solidification rate (R) for dendritic growth can be represented by the constitutional supercooling criterion [29], Vcs = (G × DL) / ΔT, and planar interface growth occurs at R < Vcs. DL and ΔT denote the diffusion coefficient in the liquid and the equilibrium freezing range, respectively. The results suggest that planar interface growth occurs at the bottom of the melt pool, resulting in a dark region with a different solute element distribution. Some of the primary dendrites were diminished by competition with other dendrites. In addition, secondary dendrite arms could be seen in the upper regions (Fig. 5c), where solidification occurred at a lower cooling rate. The fragmentation of the solute segregation near the secondary dendrite arms is similar to that observed in the experimental melt pool shown in Figs. 2e and 2f, and the secondary dendrite arms are suggested to have appeared at the center of the melt region. Fig. 6 shows the PDASs measured from the MPF simulation models, compared to the experimental PDASs measured by the cross-sectional SEM observation of the laser-melted regions (Fig. 2). The PDAS obtained by the MPF simulation become larger as the solidification progress. Ghosh et al. [21] evident by the phase-field method that the PDAS decreases as the cooling rate increases under the rapid cooling conditions obtained by the finite element analysis. In this study, the cooling rate was decreased as the interface approached the center of the melt region (Fig. 4a), and the trends in PDAS changes with respect to cooling rate is same as the reported trend [21]. The simulated trends of the PDAS with the position in the melt pool agreed well with the experimental trends. However, all PDASs in the simulation were larger than those observed in the experiment at the same positions. Ode et al. [42] reported that PDAS differences between 2D and 3D MPF simulations can be represented by PDAS2D = 1.12 × PDAS3D owing to differences in the effects of the interfacial energy and diffusivity. We also performed 2D and 3D MPF simulations under the solidification conditions of G = 1.94 × 107 K m-1 and R = 0.82 m s-1 (Fig. S1), and found that the PDAS from the 2D MPF simulation was 1.26 times larger than that from the 3D simulation. Therefore, the cell structure obtained by the CtFD simulation coupled with the 2D MPF simulation agreed well with the experimental results over the entire melt pool region considering the dimensional effects.
Fig. 7b1 and 7c1 show the concentration profiles of the solidified model along the growth direction indicated by dashed lines in Fig. 7a. The differences in concentrations from the alloy composition are also shown in Fig. 7b2 and 7c2. Cr, Mo, C, Mn, and W were segregated to the interdendritic regions, while Si, Fe, and Co were depressed. The solute segregation behavior agrees with the experimentally observation [43] and the prediction by the Scheil-Gulliver simulation [19]. Segregation occurred to the highest degree in Mo, while the ratio of segregation to the alloy composition was remarkable in C. The concentration fluctuations correlated with the position in the melt pool and decreased at the center of the melt pool, which was suggested to correspond to the lower cooling rate in this region. Conversely, droplets that appeared between secondary dendrite arms in the upper regions of the simulation domain exhibited a locally high segregation of solute elements, with the same amount of segregation as that at the bottom of the melt pool.
3.4. Remelting and resolidification simulation
The solidified model was subjected to remelting and resolidification conditions by shifting the temperature profile upward by 60 µm to reveal the effect of reheating on the solute segregation behavior. Figs. 8a and 8b shows the simulation domains of the HX model after resolidification, colored by phase and Mo concentration. The magnified MPF models during the resolidification of the regions indicated by rectangles in Figs. 8a and 8b are also shown as Figs. 8c and 8d. Dendrites grew from the bottom of the remelted region, with the segregation of solute elements occurring in the interdendritic regions. The entire domain become the FCC phase after the resolidification, as shown in Fig. 8a. The bottom of the remelted regions exhibited a different microstructure, and Mo was depressed at the remelted regions, rather than the interdendritic regions. The different solute segregation behavior [44] and the microstructure formation [45] at the melt pool boundary is also observed in LPBF manufactured 316 L stainless steel. We found that this microstructure was formed by further remelting during the resolidification process, which is shown in Fig. 9. Here, the solidified HX model was heated, and the interdendritic regions were preferentially melted while concentration fluctuations were maintained (Fig. 9a1 and 9a2). Subsequently, planer interface growth occurs near the melt pool boundary where the solidification rate is almost zero, and the dendrites outside of the boundary are grown epitaxially (Fig. 9b1 and 9b2). However, these remelted again because of the temperature rise (Fig. 9c1 and 9c2, and the temperature-time profile shown in Fig. 9e). The remelted regions then cooled and solidified with the abnormal solute segregations (Fig. 9d1 and 9d2). Then, dendrite grows from amplified fluctuations under the solidification rate larger than the criterion of constitutional supercooling (Fig. 9d1, 9d2, and Fig. 8d). It has been reported [46], [47] that temperature rising owning to latent heat affects microstructure formation: phase-field simulations of a Ni–Al binary alloy suggest that the release of latent heat during solidification increases the average temperature of the system [46] and strongly influences the solidification conditions [47]. In this study, the release of latent heat during solidification is considered in CtFD simulations for calculating the temperature distribution, and the temperature increase is suggested to have also occurred due to the release of latent heat.
Fig. 10b1 and 10c1 show the solute element concentration line profiles of the resolidified model along the growth direction indicated by dashed lines in Fig. 10a. Fig. 10b2 and 10c2 show the corresponding differences in concentration from the alloy composition. The segregation behavior of solute elements at the interdendritic regions (Fig. 10b1 and 10b2) was the same as that in the solidified model (Figs. 7b1 and 7b2). Here, Cr, Mo, C, Mn, and W were segregated to the interdendritic regions, while Si, Fe, and Co were depressed. However, the concentration fluctuations at the interdendritic regions were larger than those in the solidified model. Moreover, the segregation of the outside of the melt pool, i.e., the heat-affected zone, was remarkable throughout remelting and resolidification. Different segregation behaviors were observed in the re-remelted region: Mo, Si, Mn, and W were segregated, while Ni, Fe, and Co were depressed. These solute segregations caused by remelting are expected to heavily influence the crack behavior.
4. Discussion
4.1. Effect of segregation of solute elements on liquation cracking susceptibility
Strong solute segregation was observed between the interdendritic regions of the solidified alloy (Fig. 7). In addition, the solute segregation behavior was significantly affected by remelting and resolidification and varied across the alloy. Solute segregation can be categorized by the regions shown in Fig. 11a1–11a4, namely the cell boundary (Fig. 11a1), interior of the melt-pool boundary (Fig. 11a2), re-remelted regions (Fig. 11a3), and heat-affected regions (Fig. 11a4). The concentration profiles of these regions are shown in Fig. 11b1–11b4. Solute segregation was the highest in the cell boundary region. The solute segregation in the heat-affected region was almost the same as that in the cell boundary region, but seemed to have been attenuated by reheating during remelting and resolidification. The interior of the melt-pool boundary region also had the same tendency for solute segregation. However, the amount of Cr segregation was smaller than that of Mo. A decrease in the Cr concentration was also mitigated, and the concentration remained the same as that in the alloy composition. Fig. 11c1–11c4 show the chemical potentials of the solute elements for the FCC phase at 1073 K calculated using the compositions of those interfacial regions. All the interfacial regions showed non-constant chemical potentials for each element along the perpendicular direction, but the fluctuations of the chemical potentials differed by the type of interfaces. In particular, the fluctuation of the chemical potential of C at the cell boundary region was the largest, suggesting it can be relaxed easily by heat treatment. On the other hand, the fluctuations of the other elements in all the regions were small. The solute segregations are most likely to remain after the heat treatment and are supposed to affect the cracking susceptibilities.
The solidus temperatures TS, the difference between the liquidus and solidus temperatures (i.e., the brittle temperature range (BTR)), and the fractions of the equilibrium precipitate phases at 1073 K of the interfacial regions were calculated as the liquation, solidification, and ductility dip cracking susceptibilities, respectively. At the cell boundary (Fig. 12a1), interior of the melt-pool boundary (Fig. 12a1), and heat-affected regions (Fig. 12a1), the internal and interfacial regions exhibited higher and lower TS compared to that of the alloy composition, respectively. The lowest Ts was obtained with the composition at the cell boundary region, which is the largest solute-segregated region. It has been suggested that strong segregations of solute elements in LPBF lead to liquation cracks [16]. This study also supports this suggestion, and liquation cracks are more likely to occur at the interfacial regions indicated by predicting the solute segregation behavior using the MPF model. Additionally, the BTRs of the cell boundary, interior of the melt-pool boundary, and heat-affected regions were wider at the interdendritic regions, and solidification cracks were also likely to occur in these regions. Moreover, within the solute segregation regions, the fraction of the precipitate phases in these interfacial regions was larger than that calculated using the alloy composition (Fig. 12c1, 12c2, and 12c4). This indicates that ductility dip cracking is also likely to occur at the cell boundary, interior of the melt-pool boundary, and in heat-affected regions. Contrarily, we found that the re-remelted region exhibited a higher TS and smaller BTR even in the interfacial region (Fig. 12a3 and 12b3), where the solute segregation behavior was different from that of the other regions. In addition, the re-remelting region exhibited less precipitation compared with the other segregated regions (Fig. 12c3). The re-remelting caused by the latent heat can attenuate solute segregation, prevent Ts from decreasing, decrease the BTR, and decrease the amount of precipitate phases. Alloys with a large amount of latent heat are expected to increase the re-remelting region, thereby decreasing the susceptibility to liquation and ductility dip cracks due to solute element segregation. This can be a guide for designing alloys for the LPBF process. As mentioned in Section 3.4, the microstructure [45] and the solute segregation behavior [44] at the melt pool boundary of LPBF-manufactured 316 L stainless steel are observed, and they are different from that of the interdendritic regions. Experimental observations of the solute segregation behavior in the LPBF-fabricated Ni-based alloys are currently underway.
4.2. Applicability of the conventional MPF simulation to microstructure formation under LPBF
As the solidification growth rate increases, segregation coefficients approach 1, and the fluctuation of the solid/liquid interface is suppressed by the interfacial tension. The interface growth occurs in a flat fashion instead of having a cellular morphology at a velocity above the absolute stability limit, Ras, predicted by the Mullins-Sekerka theory [29]: Ras = (ΔT0DL) / (k Γ) where ΔT0, DL, k, and Γ are the difference between the liquidus and solidus temperatures, equilibrium segregation coefficient, the diffusivity of liquid, and the Gibbs-Thomson coefficient, respectively.
The Ras of HX was calculated using the equation and the thermodynamic parameters obtained by the TCNI9 thermodynamic database [39]. The calculated Ras of HX was 3.9 m s-1 and is ten times larger than that of the Ni–Nb alloy (approximately 0.4 m s-1) [20]. The HX alloy was solidified under R values in the range of 8.2 × 10−2–6.3 × 10−1 m s-1. The theoretically calculated criterion is larger than the evaluated R, and is in agreement with the experiment in which dendritic growth is observed in the melt pool (Fig. 5). In contrast, Karayagiz et al. [20] reported that the R of the Ni–Nb binary alloy under LPBF was as high as approximately 2 m s-1, and planar interface growth was observed to be predominant under the high-growth-rate conditions. These experimentally observed microstructures agree well with the prediction by the Mullins-Sekerka theory about the relationship between the morphology and solidification rates.
In this study, the solidification microstructure formed by the laser-beam irradiation of an HX multicomponent Ni-based superalloy was reproduced by a conventional MPF simulation, in which the system was assumed to be in a quasi-equilibrium condition. Boussinot et al. [24] also suggested that the conventional phase-field model can be applied to simulate the microstructure of an IN718 multicomponent Ni-based superalloy in LPBF. In contrast, Kagayaski et al. [20] suggested that the conventional MPF simulation cannot be applied to the solidification of the Ni-Nb binary alloy system and that the finite interface dissipation model proposed by Steinbach et al. [48], [49] is necessary to simulate the high solidification rates observed in LPBF. The difference in the applicability of the conventional MPF method to HX and Ni–Nb binary alloys is presumed to arise from the differences in the non-equilibrium degree of these systems under the high solidification rates of LPBF. The results suggest that Ras can be used as a simple index to apply the conventional MPF model for solidification in LPBF. Solidification becomes a non-equilibrium process as the solidification rate approaches the limit of absolute stability, Ras. In this study, the solidification of the HX multicomponent system occurred under a relatively low solidification rate compared to Ras, and the microstructure of the conventional MPF model was successfully reproduced in the physical experiment. However, note that the limit of absolute stability predicted by the Mullins-Sekerka theory was originally proposed for solidification in a binary alloy system, and further investigation is required to consider its applicability to multicomponent alloy systems. Moreover, the fast solidification, such as in the LPBF process, causes segregation coefficient approaching a value of 1 [20], [21], [25] corresponds to a diffusion length that is on the order of the atomic interface thickness. When the segregation coefficient approaches 1, solute undercooling disappears; hence, there is no driving force to amplify fluctuations regardless of whether interfacial tension is present. This phenomenon should be further investigated in future studies.
5. Conclusions
We simulated solute segregation in a multicomponent HX alloy under the LPBF process by an MPF simulation using the temperature distributions obtained by a CtFD simulation. We set the parameters of the CtFD simulation to match the melt pool shape formed in the laser-irradiation experiment and found that solidification occurred under high cooling rates of up to 1.6 × 106 K s-1.
MPF simulations using the temperature distributions from CtFD simulation could reproduce the experimentally observed PDAS and revealed that significant solute segregation occurred at the interdendritic regions. Equilibrium thermodynamic calculations using the alloy compositions of the segregated regions when considering crack sensitivities suggested a decrease in the solidus temperature and an increase in the amount of carbide precipitation, thereby increasing the susceptibility to liquation and ductility dip cracks in these regions. Notably, these changes were suppressed at the melt-pool boundary region, where re-remelting occurred during the stacking of the layer above. This effect can be used to achieve a novel in-process segregation attenuation.
Our study revealed that a conventional MPF simulation weakly coupled with a CtFD simulation can be used to study the solidification of multicomponent alloys in LPBF, contrary to the cases of binary alloys investigated in previous studies. We discussed the applicability of the conventional MPF model to the LPBF process in terms of the limit of absolute stability, Ras, and suggested that alloys with a high limit velocity, i.e., multicomponent alloys, can be simulated using the conventional MPF model even under the high solidification velocity conditions of LPBF.
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper
Acknowledgments
This work was partly supported by the Cabinet Office, Government of Japan, Cross-ministerial Strategic Innovation Promotion Program (SIP), “Materials Integration for Revolutionary Design System of Structural Materials,” (funding agency: The Japan Science and Technology Agency), by JSPS KAKENHI Grant Numbers 21H05018 and 21H05193, and by CREST Nanomechanics: Elucidation of macroscale mechanical properties based on understanding nanoscale dynamics for innovative mechanical materials (Grant Number: JPMJCR2194) from the Japan Science and Technology Agency (JST). The authors would like to thank Mr. H. Kawabata and Mr. K. Kimura for their technical support with the sample preparations and laser beam irradiation experiments.
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Unintended end-of-process depression (EOPD) commonly occurs in laser powder bed fusion (LPBF), leading to poor surface quality and lower fatigue strength, especially for many implants. In this study, a high-fidelity multi-physics meso-scale simulation model is developed to uncover the forming mechanism of this defect. A defect-process map of the EOPD phenomenon is obtained using this simulation model. It is found that the EOPD formation mechanisms are different under distinct regions of process parameters. At low scanning speeds in keyhole mode, the long-lasting recoil pressure and the large temperature gradient easily induce EOPD. While at high scanning speeds in keyhole mode, the shallow molten pool morphology and the large solidification rate allow the keyhole to evolve into an EOPD quickly. Nevertheless, in the conduction mode, the Marangoni effects along with a faster solidification rate induce EOPD. Finally, a ‘step’ variable power strategy is proposed to optimise the EOPD defects for the case with high volumetric energy density at low scanning speeds. This work provides a profound understanding and valuable insights into the quality control of LPBF fabrication.
의도하지 않은 공정 종료 후 함몰(EOPD)은 LPBF(레이저 분말층 융합)에서 흔히 발생하며, 특히 많은 임플란트의 경우 표면 품질이 떨어지고 피로 강도가 낮아집니다. 본 연구에서는 이 결함의 형성 메커니즘을 밝히기 위해 충실도가 높은 다중 물리학 메조 규모 시뮬레이션 모델을 개발했습니다.
이 시뮬레이션 모델을 사용하여 EOPD 현상의 결함 프로세스 맵을 얻습니다. EOPD 형성 메커니즘은 공정 매개변수의 별개 영역에서 서로 다른 것으로 밝혀졌습니다.
키홀 모드의 낮은 스캔 속도에서는 오래 지속되는 반동 압력과 큰 온도 구배로 인해 EOPD가 쉽게 유발됩니다. 키홀 모드에서 높은 스캐닝 속도를 유지하는 동안 얕은 용융 풀 형태와 큰 응고 속도로 인해 키홀이 EOPD로 빠르게 진화할 수 있습니다.
그럼에도 불구하고 전도 모드에서는 더 빠른 응고 속도와 함께 마랑고니 효과가 EOPD를 유발합니다. 마지막으로, 낮은 스캐닝 속도에서 높은 체적 에너지 밀도를 갖는 경우에 대해 EOPD 결함을 최적화하기 위한 ‘단계’ 가변 전력 전략이 제안되었습니다.
이 작업은 LPBF 제조의 품질 관리에 대한 심오한 이해와 귀중한 통찰력을 제공합니다.
Figure 5. Simulation of the molten pool under low-speed scanning (1.06 m/s). (a) Sequential solidification of the molten pool at the
end of the melt track for laser powers of 190 and 340 W, respectively. (b) Recoil pressure on the molten pool at the keyhole for laser
powers of 190 and 340 W, respectively. (c) The force diagram of the melt at the back of the keyhole at t = 750 μs in case B. (d) Temperature gradient at the solid–liquid interface of the molten pool at the moment the laser is deactivated in case A. (e) Temperature
gradient at the solid–liquid interface of the molten pool at the moment the laser is deactivated in case B.
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In order to comprehensively reveal the evolutionary dynamics of the molten pool and the state of motion of the fluid during the high-precision laser powder bed fusion (HP-LPBF) process, this study aims to deeply investigate the specific manifestations of the multiphase flow, solidification phenomena, and heat transfer during the process by means of numerical simulation methods. Numerical simulation models of SS316L single-layer HP-LPBF formation with single and double tracks were constructed using the discrete element method and the computational fluid dynamics method. The effects of various factors such as Marangoni convection, surface tension, vapor recoil, gravity, thermal convection, thermal radiation, and evaporative heat dissipation on the heat and mass transfer in the molten pool have been paid attention to during the model construction process. The results show that the molten pool exhibits a “comet” shape, in which the temperature gradient at the front end of the pool is significantly larger than that at the tail end, with the highest temperature gradient up to 1.69 × 108 K/s. It is also found that the depth of the second track is larger than that of the first one, and the process parameter window has been determined preliminarily. In addition, the application of HP-LPBF technology helps to reduce the surface roughness and minimize the forming size.
Laser powder bed fusion (LPBF) has become a research hotspot in the field of additive manufacturing of metals due to its advantages of high-dimensional accuracy, good surface quality, high density, and high material utilization.1,2 With the rapid development of electronics, medical, automotive, biotechnology, energy, communication, and optics, the demand for microfabrication technology is increasing day by day.3 High-precision laser powder bed fusion (HP-LPBF) is one of the key manufacturing technologies for tiny parts in the fields of electronics, medical, automotive, biotechnology, energy, communication, and optics because of its process characteristics such as small focal spot diameter, small powder particle size, and thin powder layup layer thickness.4–13 Compared with LPBF, HP-LPBF has the significant advantages of smaller focal spot diameter, smaller powder particle size, and thinner layer thickness. These advantages make HP-LPBF perform better in producing micro-fine parts, high surface quality, and parts with excellent mechanical properties.
HP-LPBF is in the exploratory stage, and researchers have already done some exploratory studies on the focal spot diameter, the amount of defocusing, and the powder particle size. In order to explore the influence of changing the laser focal spot diameter on the LPBF process characteristics of the law, Wildman et al.14 studied five groups of different focal spot diameter LPBF forming 316L stainless steel (SS316L) processing effect, the smallest focal spot diameter of 26 μm, and the results confirm that changing the focal spot diameter can be achieved to achieve the energy control, so as to control the quality of forming. Subsequently, Mclouth et al.15 proposed the laser out-of-focus amount (focal spot diameter) parameter, which characterizes the distance between the forming plane and the laser focal plane. The laser energy density was controlled by varying the defocusing amount while keeping the laser parameters constant. Sample preparation at different focal positions was investigated, and their microstructures were characterized. The results show that the samples at the focal plane have finer microstructure than those away from the focal plane, which is the effect of higher power density and smaller focal spot diameter. In order to explore the influence of changing the powder particle size on the characteristics of the LPBF process, Qian et al.16 carried out single-track scanning simulations on powder beds with average powder particle sizes of 70 and 40 μm, respectively, and the results showed that the melt tracks sizes were close to each other under the same process parameters for the two particle-size distributions and that the molten pool of powder beds with small particles was more elongated and the edges of the melt tracks were relatively flat. In order to explore the superiority of HP-LPBF technology, Xu et al.17 conducted a comparative analysis of HP-LPBF and conventional LPBF of SS316L. The results showed that the average surface roughness of the top surface after forming by HP-LPBF could reach 3.40 μm. Once again, it was verified that HP-LPBF had higher forming quality than conventional LPBF. On this basis, Wei et al.6 comparatively analyzed the effects of different laser focal spot diameters on different powder particle sizes formed by LPBF. The results showed that the smaller the laser focal spot diameter, the fewer the defects on the top and side surfaces. The above research results confirm that reducing the laser focal spot diameter can obtain higher energy density and thus better forming quality.
LPBF involves a variety of complex systems and mechanisms, and the final quality of the part is influenced by a large number of process parameters.18–24 Some research results have shown that there are more than 50 factors affecting the quality of the specimen. The influencing factors are mainly categorized into three main groups: (1) laser parameters, (2) powder parameters, and (3) equipment parameters, which interact with each other to determine the final specimen quality. With the continuous development of technologies such as computational materials science and computational fluid dynamics (CFD), the method of studying the influence of different factors on the forming quality of LPBF forming process has been shifted from time-consuming and laborious experimental characterization to the use of numerical simulation methods. As a result, more and more researchers are adopting this approach for their studies. Currently, numerical simulation studies on LPBF are mainly focused on the exploration of molten pool, temperature distribution, and residual stresses.
Finite element simulation based on continuum mechanics and free surface fluid flow modeling based on fluid dynamics are two common approaches to study the behavior of LPBF molten pool.25–28 Finite element simulation focuses on the temperature and thermal stress fields, treats the powder bed as a continuum, and determines the molten pool size by plotting the elemental temperature above the melting point. In contrast, fluid dynamics modeling can simulate the 2D or 3D morphology of the metal powder pile and obtain the powder size and distribution by certain algorithms.29 The flow in the molten pool is mainly affected by recoil pressure and the Marangoni effect. By simulating the molten pool formation, it is possible to predict defects, molten pool shape, and flow characteristics, as well as the effect of process parameters on the molten pool geometry.30–34 In addition, other researchers have been conducted to optimize the laser processing parameters through different simulation methods and experimental data.35–46 Crystal growth during solidification is studied to further understand the effect of laser parameters on dendritic morphology and solute segregation.47–54 A multi-scale system has been developed to describe the fused deposition process during 3D printing, which is combined with the conductive heat transfer model and the dendritic solidification model.55,56
Relevant scholars have adopted various different methods for simulation, such as sequential coupling theory,57 Lagrangian and Eulerian thermal models,58 birth–death element method,25 and finite element method,59 in order to reveal the physical phenomena of the laser melting process and optimize the process parameters. Luo et al.60 compared the LPBF temperature field and molten pool under double ellipsoidal and Gaussian heat sources by ANSYS APDL and found that the diffusion of the laser energy in the powder significantly affects the molten pool size and the temperature field.
The thermal stresses obtained from the simulation correlate with the actual cracks,61 and local preheating can effectively reduce the residual stresses.62 A three-dimensional thermodynamic finite element model investigated the temperature and stress variations during laser-assisted fabrication and found that powder-to-solid conversion increases the temperature gradient, stresses, and warpage.63 Other scholars have predicted residual stresses and part deflection for LPBF specimens and investigated the effects of deposition pattern, heat, laser power, and scanning strategy on residual stresses, noting that high-temperature gradients lead to higher residual stresses.64–67
In short, the process of LPBF forming SS316L is extremely complex and usually involves drastic multi-scale physicochemical changes that will only take place on a very small scale. Existing literature employs DEM-based mesoscopic-scale numerical simulations to investigate the effects of process parameters on the molten pool dynamics of LPBF-formed SS316L. However, a few studies have been reported on the key mechanisms of heating and solidification, spatter, and convective behavior of the molten pool of HP-LPBF-formed SS316L with small laser focal spot diameters. In this paper, the geometrical properties of coarse and fine powder particles under three-dimensional conditions were first calculated using DEM. Then, numerical simulation models for single-track and double-track cases in the single-layer HP-LPBF forming SS316L process were developed at mesoscopic scale using the CFD method. The flow genesis of the melt in the single-track and double-track molten pools is discussed, and their 3D morphology and dimensional characteristics are discussed. In addition, the effects of laser process parameters, powder particle size, and laser focal spot diameter on the temperature field, characterization information, and defects in the molten pool are discussed.
II. MODELING
A. 3D powder bed modeling
HP-LPBF is an advanced processing technique for preparing target parts layer by layer stacking, the process of which involves repetitive spreading and melting of powders. In this process, both the powder spreading and the morphology of the powder bed are closely related to the results of the subsequent melting process, while the melted surface also affects the uniform distribution of the next layer of powder. For this reason, this chapter focuses on the modeling of the physical action during the powder spreading process and the theory of DEM to establish the numerical model of the powder bed, so as to lay a solid foundation for the accuracy of volume of fluid (VOF) and CFD.
1. DEM
DEM is a numerical technique for calculating the interaction of a large number of particles, which calculates the forces and motions of the spheres by considering each powder sphere as an independent unit. The motion of the powder particles follows the laws of classical Newtonian mechanics, including translational and rotational,38,68–70 which are expressed as follows:����¨=���+∑��ij,
(1)����¨=∑�(�ij×�ij),
(2)
where �� is the mass of unit particle i in kg, ��¨ is the advective acceleration in m/s2, And g is the gravitational acceleration in m/s2. �ij is the force in contact with the neighboring particle � in N. �� is the rotational inertia of the unit particle � in kg · m2. ��¨ is the unit particle � angular acceleration in rad/s2. �ij is the vector pointing from unit particle � to the contact point of neighboring particle �.
Equations (1) and (2) can be used to calculate the velocity and angular velocity variations of powder particles to determine their positions and velocities. A three-dimensional powder bed model of SS316L was developed using DEM. The powder particles are assumed to be perfect spheres, and the substrate and walls are assumed to be rigid. To describe the contact between the powder particles and between the particles and the substrate, a non-slip Hertz–Mindlin nonlinear spring-damping model71 was used with the following expression:�hz=��������+��[(�����ij−�eff����)−(�����+�eff����)],
(3)
where �hz is the force calculated using the Hertzian in M. �� and �� are the radius of unit particles � and � in m, respectively. �� is the overlap size of the two powder particles in m. ��, �� are the elastic constants in the normal and tangential directions, respectively. �ij is the unit vector connecting the centerlines of the two powder particles. �eff is the effective mass of the two powder particles in kg. �� and �� are the viscoelastic damping constants in the normal and tangential directions, respectively. �� and �� are the components of the relative velocities of the two powder particles. ��� is the displacement vector between two spherical particles. The schematic diagram of overlapping powder particles is shown in Fig. 1.
Schematic diagram of overlapping powder particles.
Because the particle size of the powder used for HP-LPBF is much smaller than 100 μm, the effect of van der Waals forces must be considered. Therefore, the cohesive force �jkr of the Hertz–Mindlin model was used instead of van der Waals forces,72 with the following expression:�jkr=−4��0�*�1.5+4�*3�*�3,
(4)1�*=(1−��2)��+(1−��2)��,
(5)1�*=1��+1��,
(6)
where �* is the equivalent Young’s modulus in GPa; �* is the equivalent particle radius in m; �0 is the surface energy of the powder particles in J/m2; α is the contact radius in m; �� and �� are the Young’s modulus of the unit particles � and �, respectively, in GPa; and �� and �� are the Poisson’s ratio of the unit particles � and �, respectively.
2. Model building
Figure 2 shows a 3D powder bed model generated using DEM with a coarse powder geometry of 1000 × 400 × 30 μm3. The powder layer thickness is 30 μm, and the powder bed porosity is 40%. The average particle size of this spherical powder is 31.7 μm and is normally distributed in the range of 15–53 μm. The geometry of the fine powder was 1000 × 400 × 20 μm3, with a layer thickness of 20 μm, and the powder bed porosity of 40%. The average particle size of this spherical powder is 11.5 μm and is normally distributed in the range of 5–25 μm. After the 3D powder bed model is generated, it needs to be imported into the CFD simulation software for calculation, and the imported geometric model is shown in Fig. 3. This geometric model is mainly composed of three parts: protective gas, powder bed, and substrate. Under the premise of ensuring the accuracy of the calculation, the mesh size is set to 3 μm, and the total number of coarse powder meshes is 1 704 940. The total number of fine powder meshes is 3 982 250.
Geometric modeling of the powder bed computational domain: (a) coarse powder, (b) fine powder.
B. Modeling of fluid mechanics simulation
In order to solve the flow, melting, and solidification problems involved in HP-LPBF molten pool, the study must follow the three governing equations of conservation of mass, conservation of energy, and conservation of momentum.73 The VOF method, which is the most widely used in fluid dynamics, is used to solve the molten pool dynamics model.
1. VOF
VOF is a method for tracking the free interface between the gas and liquid phases on the molten pool surface. The core idea of the method is to define a volume fraction function F within each grid, indicating the proportion of the grid space occupied by the material, 0 ≤ F ≤ 1 in Fig. 4. Specifically, when F = 0, the grid is empty and belongs to the gas-phase region; when F = 1, the grid is completely filled with material and belongs to the liquid-phase region; and when 0 < F < 1, the grid contains free surfaces and belongs to the mixed region. The direction normal to the free surface is the direction of the fastest change in the volume fraction F (the direction of the gradient of the volume fraction), and the direction of the gradient of the volume fraction can be calculated from the values of the volume fractions in the neighboring grids.74 The equations controlling the VOF are expressed as follows:𝛻����+�⋅(��→)=0,
(7)
where t is the time in s and �→ is the liquid velocity in m/s.
The material parameters of the mixing zone are altered due to the inclusion of both the gas and liquid phases. Therefore, in order to represent the density of the mixing zone, the average density �¯ is used, which is expressed as follows:72�¯=(1−�1)�gas+�1�metal,
(8)
where �1 is the proportion of liquid phase, �gas is the density of protective gas in kg/m3, and �metal is the density of metal in kg/m3.
2. Control equations and boundary conditions
Figure 5 is a schematic diagram of the HP-LPBF melting process. First, the laser light strikes a localized area of the material and rapidly heats up the area. Next, the energy absorbed in the region is diffused through a variety of pathways (heat conduction, heat convection, and surface radiation), and this process triggers complex phase transition phenomena (melting, evaporation, and solidification). In metals undergoing melting, the driving forces include surface tension and the Marangoni effect, recoil due to evaporation, and buoyancy due to gravity and uneven density. The above physical phenomena interact with each other and do not occur independently.
Laser heat sourceThe Gaussian surface heat source model is used as the laser heat source model with the following expression:�=2�0����2exp(−2�12��2),(9)where � is the heat flow density in W/m2, �0 is the absorption rate of SS316L, �� is the radius of the laser focal spot in m, and �1 is the radial distance from the center of the laser focal spot in m. The laser focal spot can be used for a wide range of applications.
Energy absorptionThe formula for calculating the laser absorption �0 of SS316L is as follows:�0=0.365(�0[1+�0(�−20)]/�)0.5,(10)where �0 is the direct current resistivity of SS316L at 20 °C in Ω m, �0 is the resistance temperature coefficient in ppm/°C, � is the temperature in °C, and � is the laser wavelength in m.
Heat transferThe basic principle of heat transfer is conservation of energy, which is expressed as follows:𝛻𝛻𝛻�(��)��+�·(��→�)=�·(�0����)+��,(11)where � is the density of liquid phase SS316L in kg/m3, �� is the specific heat capacity of SS316L in J/(kg K), 𝛻� is the gradient operator, t is the time in s, T is the temperature in K, 𝛻�� is the temperature gradient, �→ is the velocity vector, �0 is the coefficient of thermal conduction of SS316L in W/(m K), and �� is the thermal energy dissipation term in the molten pool.
Molten pool flowThe following three conditions need to be satisfied for the molten pool to flow:
Conservation of mass with the following expression:𝛻�·(��→)=0.(12)
Conservation of momentum (Navier–Stokes equation) with the following expression:𝛻𝛻𝛻𝛻���→��+�(�→·�)�→=�·[−pI+�(��→+(��→)�)]+�,(13)where � is the pressure in Pa exerted on the liquid phase SS316L microelement, � is the unit matrix, � is the fluid viscosity in N s/m2, and � is the volumetric force (gravity, atmospheric pressure, surface tension, vapor recoil, and the Marangoni effect).
Surface tension and the Marangoni effectThe effect of temperature on the surface tension coefficient is considered and set as a linear relationship with the following expression:�=�0−��dT(�−��),(14)where � is the surface tension of the molten pool at temperature T in N/m, �� is the melting temperature of SS316L in K, �0 is the surface tension of the molten pool at temperature �� in Pa, and σdσ/ dT is the surface tension temperature coefficient in N/(m K).In general, surface tension decreases with increasing temperature. A temperature gradient causes a gradient in surface tension that drives the liquid to flow, known as the Marangoni effect.
Metal vapor recoilAt higher input energy densities, the maximum temperature of the molten pool surface reaches the evaporation temperature of the material, and a gasification recoil pressure occurs vertically downward toward the molten pool surface, which will be the dominant driving force for the molten pool flow.75 The expression is as follows:��=0.54�� exp ���−���0���,(15)where �� is the gasification recoil pressure in Pa, �� is the ambient pressure in kPa, �� is the latent heat of evaporation in J/kg, �0 is the gas constant in J/(mol K), T is the surface temperature of the molten pool in K, and Te is the evaporation temperature in K.
Solid–liquid–gas phase transitionWhen the laser hits the powder layer, the powder goes through three stages: heating, melting, and solidification. During the solidification phase, mutual transformations between solid, liquid, and gaseous states occur. At this point, the latent heat of phase transition absorbed or released during the phase transition needs to be considered.68 The phase transition is represented based on the relationship between energy and temperature with the following expression:�=�����,(�<��),�(��)+�−����−����,(��<�<��)�(��)+(�−��)����,(��<�),,(16)where �� and �� are solid and liquid phase density, respectively, of SS316L in kg/m3. �� and �� unit volume of solid and liquid phase-specific heat capacity, respectively, of SS316L in J/(kg K). �� and ��, respectively, are the solidification temperature and melting temperature of SS316L in K. �� is the latent heat of the phase transition of SS316L melting in J/kg.
3. Assumptions
The CFD model was computed using the commercial software package FLOW-3D.76 In order to simplify the calculation and solution process while ensuring the accuracy of the results, the model makes the following assumptions:
It is assumed that the effects of thermal stress and material solid-phase thermal expansion on the calculation results are negligible.
The molten pool flow is assumed to be a Newtonian incompressible laminar flow, while the effects of liquid thermal expansion and density on the results are neglected.
It is assumed that the surface tension can be simplified to an equivalent pressure acting on the free surface of the molten pool, and the effect of chemical composition on the results is negligible.
Neglecting the effect of the gas flow field on the molten pool.
The mass loss due to evaporation of the liquid metal is not considered.
The influence of the plasma effect of the molten metal on the calculation results is neglected.
It is worth noting that the formulation of assumptions requires a trade-off between accuracy and computational efficiency. In the above models, some physical phenomena that have a small effect or high difficulty on the calculation results are simplified or ignored. Such simplifications make numerical simulations more efficient and computationally tractable, while still yielding accurate results.
4. Initial conditions
The preheating temperature of the substrate was set to 393 K, at which time all materials were in the solid state and the flow rate was zero.
5. Material parameters
The material used is SS316L and the relevant parameters required for numerical simulations are shown in Table I.46,77,78
TABLE I.
SS316L-related parameters.
Property
Symbol
Value
Density of solid metal (kg/m3)
�metal
7980
Solid phase line temperature (K)
��
1658
Liquid phase line temperature (K)
��
1723
Vaporization temperature (K)
��
3090
Latent heat of melting ( J/kg)
��
2.60×105
Latent heat of evaporation ( J/kg)
��
7.45×106
Surface tension of liquid phase (N /m)
�
1.60
Liquid metal viscosity (kg/m s)
��
6×10−3
Gaseous metal viscosity (kg/m s)
�gas
1.85×10−5
Temperature coefficient of surface tension (N/m K)
��/�T
0.80×10−3
Molar mass ( kg/mol)
M
0.05 593
Emissivity
�
0.26
Laser absorption
�0
0.35
Ambient pressure (kPa)
��
101 325
Ambient temperature (K)
�0
300
Stefan–Boltzmann constant (W/m2 K4)
�
5.67×10−8
Thermal conductivity of metals ( W/m K)
�
24.55
Density of protective gas (kg/m3)
�gas
1.25
Coefficient of thermal expansion (/K)
��
16×10−6
Generalized gas constant ( J/mol K)
R
8.314
III. RESULTS AND DISCUSSION
With the objective of studying in depth the evolutionary patterns of single-track and double-track molten pool development, detailed observations were made for certain specific locations in the model, as shown in Fig. 6. In this figure, P1 and P2 represent the longitudinal tangents to the centers of the two melt tracks in the XZ plane, while L1 is the transverse profile in the YZ plane. The scanning direction is positive and negative along the X axis. Points A and B are the locations of the centers of the molten pool of the first and second melt tracks, respectively (x = 1.995 × 10−4, y = 5 × 10−7, and z = −4.85 × 10−5).
A series of single-track molten pool simulation experiments were carried out in order to investigate the influence law of laser power as well as scanning speed on the HP-LPBF process. Figure 7 demonstrates the evolution of the 3D morphology and temperature field of the single-track molten pool in the time period of 50–500 μs under a laser power of 100 W and a scanning speed of 800 mm/s. The powder bed is in the natural cooling state. When t = 50 μs, the powder is heated by the laser heat and rapidly melts and settles to form the initial molten pool. This process is accompanied by partial melting of the substrate and solidification together with the melted powder. The molten pool rapidly expands with increasing width, depth, length, and temperature, as shown in Fig. 7(a). When t = 150 μs, the molten pool expands more obviously, and the temperature starts to transfer to the surrounding area, forming a heat-affected zone. At this point, the width of the molten pool tends to stabilize, and the temperature in the center of the molten pool has reached its peak and remains largely stable. However, the phenomenon of molten pool spatter was also observed in this process, as shown in Fig. 7(b). As time advances, when t = 300 μs, solidification begins to occur at the tail of the molten pool, and tiny ripples are produced on the solidified surface. This is due to the fact that the melt flows toward the region with large temperature gradient under the influence of Marangoni convection and solidifies together with the melt at the end of the bath. At this point, the temperature gradient at the front of the bath is significantly larger than at the end. While the width of the molten pool was gradually reduced, the shape of the molten pool was gradually changed to a “comet” shape. In addition, a slight depression was observed at the top of the bath because the peak temperature at the surface of the bath reached the evaporation temperature, which resulted in a recoil pressure perpendicular to the surface of the bath downward, creating a depressed region. As the laser focal spot moves and is paired with the Marangoni convection of the melt, these recessed areas will be filled in as shown in Fig. 7(c). It has been shown that the depressed regions are the result of the coupled effect of Marangoni convection, recoil pressure, and surface tension.79 By t = 500 μs, the width and height of the molten pool stabilize and show a “comet” shape in Fig. 7(d).
Single-track molten pool process: (a) t = 50 ��, (b) t = 150 ��, (c) t = 300 ��, (d) t = 500 ��.
Figure 8 depicts the velocity vector diagram of the P1 profile in a single-track molten pool, the length of the arrows represents the magnitude of the velocity, and the maximum velocity is about 2.36 m/s. When t = 50 μs, the molten pool takes shape, and the velocities at the two ends of the pool are the largest. The variation of the velocities at the front end is especially more significant in Fig. 8(a). As the time advances to t = 150 μs, the molten pool expands rapidly, in which the velocity at the tail increases and changes more significantly, while the velocity at the front is relatively small. At this stage, the melt moves backward from the center of the molten pool, which in turn expands the molten pool area. The melt at the back end of the molten pool center flows backward along the edge of the molten pool surface and then converges along the edge of the molten pool to the bottom center, rising to form a closed loop. Similarly, a similar closed loop is formed at the front end of the center of the bath, but with a shorter path. However, a large portion of the melt in the center of the closed loop formed at the front end of the bath is in a nearly stationary state. The main cause of this melt flow phenomenon is the effect of temperature gradient and surface tension (the Marangoni effect), as shown in Figs. 8(b) and 8(e). This dynamic behavior of the melt tends to form an “elliptical” pool. At t = 300 μs, the tendency of the above two melt flows to close the loop is more prominent and faster in Fig. 8(c). When t = 500 μs, the velocity vector of the molten pool shows a stable trend, and the closed loop of melt flow also remains stable. With the gradual laser focal spot movement, the melt is gradually solidified at its tail, and finally, a continuous and stable single track is formed in Fig. 8(d).
Vector plot of single-track molten pool velocity in XZ longitudinal section: (a) t = 50 ��, (b) t = 150 ��, (c) t = 300 ��, (d) t = 500 ��, (e) molten pool flow.
In order to explore in depth the transient evolution of the molten pool, the evolution of the single-track temperature field and the melt flow was monitored in the YZ cross section. Figure 9(a) shows the state of the powder bed at the initial moment. When t = 250 μs, the laser focal spot acts on the powder bed and the powder starts to melt and gradually collects in the molten pool. At this time, the substrate will also start to melt, and the melt flow mainly moves in the downward and outward directions and the velocity is maximum at the edges in Fig. 9(b). When t = 300 μs, the width and depth of the molten pool increase due to the recoil pressure. At this time, the melt flows more slowly at the center, but the direction of motion is still downward in Fig. 9(c). When t = 350 μs, the width and depth of the molten pool further increase, at which time the intensity of the melt flow reaches its peak and the direction of motion remains the same in Fig. 9(d). When t = 400 μs, the melt starts to move upward, and the surrounding powder or molten material gradually fills up, causing the surface of the molten pool to begin to flatten. At this time, the maximum velocity of the melt is at the center of the bath, while the velocity at the edge is close to zero, and the edge of the melt starts to solidify in Fig. 9(e). When t = 450 μs, the melt continues to move upward, forming a convex surface of the melt track. However, the melt movement slows down, as shown in Fig. 9(f). When t = 500 μs, the melt further moves upward and its speed gradually becomes smaller. At the same time, the melt solidifies further, as shown in Fig. 9(g). When t = 550 μs, the melt track is basically formed into a single track with a similar “mountain” shape. At this stage, the velocity is close to zero only at the center of the molten pool, and the flow behavior of the melt is poor in Fig. 9(h). At t = 600 μs, the melt stops moving and solidification is rapidly completed. Up to this point, a single track is formed in Fig. 9(i). During the laser action on the powder bed, the substrate melts and combines with the molten state powder. The powder-to-powder fusion is like the convergence of water droplets, which are rapidly fused by surface tension. However, the fusion between the molten state powder and the substrate occurs driven by surface tension, and the molten powder around the molten pool is pulled toward the substrate (a wetting effect occurs), which ultimately results in the formation of a monolithic whole.38,80,81
Evolution of single-track molten pool temperature and melt flow in the YZ cross section: (a) t = 0 ��, (b) t = 250 ��, (c) t = 300 ��, (d) t = 350 ��, (e) t = 400 ��, (f) t = 450 ��, (g) t = 500 ��, (h) t = 550 ��, (i) t = 600 ��.
The wetting ability between the liquid metal and the solid substrate in the molten pool directly affects the degree of balling of the melt,82,83 and the wetting ability can be measured by the contact angle of a single track in Fig. 10. A smaller value of contact angle represents better wettability. The contact angle α can be calculated by�=�1−�22,
(17)
where �1 and �2 are the contact angles of the left and right regions, respectively.
Relevant studies have confirmed that the wettability is better at a contact angle α around or below 40°.84 After measurement, a single-track contact angle α of about 33° was obtained under this process parameter, which further confirms the good wettability.
B. Double-track simulation
In order to deeply investigate the influence of hatch spacing on the characteristics of the HP-LPBF process, a series of double-track molten pool simulation experiments were systematically carried out. Figure 11 shows in detail the dynamic changes of the 3D morphology and temperature field of the double-track molten pool in the time period of 2050–2500 μs under the conditions of laser power of 100 W, scanning speed of 800 mm/s, and hatch spacing of 0.06 mm. By comparing the study with Fig. 7, it is observed that the basic characteristics of the 3D morphology and temperature field of the second track are similar to those of the first track. However, there are subtle differences between them. The first track exhibits a basically symmetric shape, but the second track morphology shows a slight deviation influenced by the difference in thermal diffusion rate between the solidified metal and the powder. Otherwise, the other characteristic information is almost the same as that of the first track. Figure 12 shows the velocity vector plot of the P2 profile in the double-track molten pool, with a maximum velocity of about 2.63 m/s. The melt dynamics at both ends of the pool are more stable at t = 2050 μs, where the maximum rate of the second track is only 1/3 of that of the first one. Other than that, the rest of the information is almost no significant difference from the characteristic information of the first track. Figure 13 demonstrates a detailed observation of the double-track temperature field and melts flow in the YZ cross section, and a comparative study with Fig. 9 reveals that the width of the second track is slightly wider. In addition, after the melt direction shifts from bottom to top, the first track undergoes four time periods (50 μs) to reach full solidification, while the second track takes five time periods. This is due to the presence of significant heat buildup in the powder bed after the forming of the first track, resulting in a longer dynamic time of the melt and an increased molten pool lifetime. In conclusion, the level of specimen forming can be significantly optimized by adjusting the laser power and hatch spacing.
Evolution of double-track molten pool temperature and melt flow in the YZ cross section: (a) t = 2250 ��, (b) t = 2300 ��, (c) t = 2350 ��, (d) t = 2400 ��, (e) t = 2450 ��, (f) t = 2500 ��, (g) t = 2550 ��, (h) t = 2600 ��, (i) t = 2650 ��.
In order to quantitatively detect the molten pool dimensions as well as the remolten region dimensions, the molten pool characterization information in Fig. 14 is constructed by drawing the boundary on the YZ cross section based on the isothermal surface of the liquid phase line. It can be observed that the heights of the first track and second track are basically the same, but the depth of the second track increases relative to the first track. The molten pool width is mainly positively correlated with the laser power as well as the scanning speed (the laser line energy density �). However, the remelted zone width is negatively correlated with the hatch spacing (the overlapping ratio). Overall, the forming quality of the specimens can be directly influenced by adjusting the laser power, scanning speed, and hatch spacing.
Double-track molten pool characterization information on YZ cross section.
In order to study the variation rule of the temperature in the center of the molten pool with time, Fig. 15 demonstrates the temperature variation curves with time for two reference points, A and B. Among them, the red dotted line indicates the liquid phase line temperature of SS316L. From the figure, it can be seen that the maximum temperature at the center of the molten pool in the first track is lower than that in the second track, which is mainly due to the heat accumulation generated after passing through the first track. The maximum temperature gradient was calculated to be 1.69 × 108 K/s. When the laser scanned the first track, the temperature in the center of the molten pool of the second track increased slightly. Similarly, when the laser scanned the second track, a similar situation existed in the first track. Since the temperature gradient in the second track is larger than that in the first track, the residence time of the liquid phase in the molten pool of the first track is longer than that of the second track.
Temperature profiles as a function of time for two reference points A and B.
C. Simulation analysis of molten pool under different process parameters
In order to deeply investigate the effects of various process parameters on the mesoscopic-scale temperature field, molten pool characteristic information and defects of HP-LPBF, numerical simulation experiments on mesoscopic-scale laser power, scanning speed, and hatch spacing of double-track molten pools were carried out.
1. Laser power
Figure 16 shows the effects of different laser power on the morphology and temperature field of the double-track molten pool at a scanning speed of 800 mm/s and a hatch spacing of 0.06 mm. When P = 50 W, a smaller molten pool is formed due to the lower heat generated by the Gaussian light source per unit time. This leads to a smaller track width, which results in adjacent track not lapping properly and the presence of a large number of unmelted powder particles, resulting in an increase in the number of defects, such as pores in the specimen. The surface of the track is relatively flat, and the depth is small. In addition, the temperature gradient before and after the molten pool was large, and the depression location appeared at the biased front end in Fig. 16(a). When P = 100 W, the surface of the track is flat and smooth with excellent lap. Due to the Marangoni effect, the velocity field of the molten pool is in the form of “vortex,” and the melt has good fluidity, and the maximum velocity reaches 2.15 m/s in Fig. 16(b). When P = 200 W, the heat generated by the Gaussian light source per unit time is too large, resulting in the melt rapidly reaching the evaporation temperature, generating a huge recoil pressure, forming a large molten pool, and the surface of the track is obviously raised. The melt movement is intense, especially the closed loop at the center end of the molten pool. At this time, the depth and width of the molten pool are large, leading to the expansion of the remolten region and the increased chance of the appearance of porosity defects in Fig. 16(c). The results show that at low laser power, the surface tension in the molten pool is dominant. At high laser power, recoil pressure is its main role.
Simulation results of double-track molten pool under different laser powers: (a) P = 50 W, (b) P = 100 W, (c) P = 200 W.
Table II shows the effect of different laser powers on the characteristic information of the double-track molten pool at a scanning speed of 800 mm/s and a hatch spacing of 0.06 mm. The negative overlapping ratio in the table indicates that the melt tracks are not lapped, and 26/29 indicates the melt depth of the first track/second track. It can be seen that with the increase in laser power, the melt depth, melt width, melt height, and remelted zone show a gradual increase. At the same time, the overlapping ratio also increases. Especially in the process of laser power from 50 to 200 W, the melting depth and melting width increased the most, which increased nearly 2 and 1.5 times, respectively. Meanwhile, the overlapping ratio also increases with the increase in laser power, which indicates that the melting and fusion of materials are better at high laser power. On the other hand, the dimensions of the molten pool did not change uniformly with the change of laser power. Specifically, the depth-to-width ratio of the molten pool increased from about 0.30 to 0.39 during the increase from 50 to 120 W, which further indicates that the effective heat transfer in the vertical direction is greater than that in the horizontal direction with the increase in laser power. This dimensional response to laser power is mainly affected by the recoil pressure and also by the difference in the densification degree between the powder layer and the metal substrate. In addition, according to the experimental results, the contact angle shows a tendency to increase and then decrease during the process of laser power increase, and always stays within the range of less than 33°. Therefore, in practical applications, it is necessary to select the appropriate laser power according to the specific needs in order to achieve the best processing results.
TABLE II.
Double-track molten pool characterization information at different laser powers.
Laser power (W)
Depth (μm)
Width (μm)
Height (μm)
Remolten region (μm)
Overlapping ratio (%)
Contact angle (°)
50
16
54
11
/
−10
23
100
26/29
74
14
18
23.33
33
200
37/45
116
21
52
93.33
28
2. Scanning speed
Figure 17 demonstrates the effect of different scanning speeds on the morphology and temperature field of the double-track molten pool at a laser power of 100 W and a hatch spacing of 0.06 mm. With the gradual increase in scanning speed, the surface morphology of the molten pool evolves from circular to elliptical. When � = 200 mm/s, the slow scanning speed causes the material to absorb too much heat, which is very easy to trigger the overburning phenomenon. At this point, the molten pool is larger and the surface morphology is uneven. This situation is consistent with the previously discussed scenario with high laser power in Fig. 17(a). However, when � = 1600 mm/s, the scanning speed is too fast, resulting in the material not being able to absorb sufficient heat, which triggers the powder particles that fail to melt completely to have a direct effect on the bonding of the melt to the substrate. At this time, the molten pool volume is relatively small and the neighboring melt track cannot lap properly. This result is consistent with the previously discussed case of low laser power in Fig. 17(b). Overall, the ratio of the laser power to the scanning speed (the line energy density �) has a direct effect on the temperature field and surface morphology of the molten pool.
Simulation results of double-track molten pool under different scanning speed: (a) � = 200 mm/s, (b) � = 1600 mm/s.
Table III shows the effects of different scanning speed on the characteristic information of the double-track molten pool under the condition of laser power of 100 W and hatch spacing of 0.06 mm. It can be seen that the scanning speed has a significant effect on the melt depth, melt width, melt height, remolten region, and overlapping ratio. With the increase in scanning speed, the melt depth, melt width, melt height, remelted zone, and overlapping ratio show a gradual decreasing trend. Among them, the melt depth and melt width decreased faster, while the melt height and remolten region decreased relatively slowly. In addition, when the scanning speed was increased from 200 to 800 mm/s, the decreasing speeds of melt depth and melt width were significantly accelerated, while the decreasing speeds of overlapping ratio were relatively slow. When the scanning speed was further increased to 1600 mm/s, the decreasing speeds of melt depth and melt width were further accelerated, and the un-lapped condition of the melt channel also appeared. In addition, the contact angle increases and then decreases with the scanning speed, and both are lower than 33°. Therefore, when selecting the scanning speed, it is necessary to make reasonable trade-offs according to the specific situation, and take into account the factors of melt depth, melt width, melt height, remolten region, and overlapping ratio, in order to achieve the best processing results.
TABLE III.
Double-track molten pool characterization information at different scanning speeds.
Scanning speed (mm/s)
Depth (μm)
Width (μm)
Height (μm)
Remolten region (μm)
Overlapping ratio (%)
Contact angle (°)
200
55/68
182
19/32
124
203.33
22
1600
13
50
11
/
−16.67
31
3. Hatch spacing
Figure 18 shows the effect of different hatch spacing on the morphology and temperature field of the double-track molten pool under the condition of laser power of 100 W and scanning speed of 800 mm/s. The surface morphology and temperature field of the first track and second track are basically the same, but slightly different. The first track shows a basically symmetric morphology along the scanning direction, while the second track shows a slight offset due to the difference in the heat transfer rate between the solidified material and the powder particles. When the hatch spacing is too small, the overlapping ratio increases and the probability of defects caused by remelting phenomenon grows. When the hatch spacing is too large, the neighboring melt track cannot overlap properly, and the powder particles are not completely melted, leading to an increase in the number of holes. In conclusion, the ratio of the line energy density � to the hatch spacing (the volume energy density E) has a significant effect on the temperature field and surface morphology of the molten pool.
Simulation results of double-track molten pool under different hatch spacings: (a) H = 0.03 mm, (b) H = 0.12 mm.
Table IV shows the effects of different hatch spacing on the characteristic information of the double-track molten pool under the condition of laser power of 100 W and scanning speed of 800 mm/s. It can be seen that the hatch spacing has little effect on the melt depth, melt width, and melt height, but has some effect on the remolten region. With the gradual expansion of hatch spacing, the remolten region shows a gradual decrease. At the same time, the overlapping ratio also decreased with the increase in hatch spacing. In addition, it is observed that the contact angle shows a tendency to increase and then remain stable when the hatch spacing increases, which has a more limited effect on it. Therefore, trade-offs and decisions need to be made on a case-by-case basis when selecting the hatch spacing.
TABLE IV.
Double-track molten pool characterization information at different hatch spacings.
Hatch spacing (mm)
Depth (μm)
Width (μm)
Height (μm)
Remolten region (μm)
Overlapping ratio (%)
Contact angle (°)
0.03
25/27
82
14
59
173.33
30
0.12
26
78
14
/
−35
33
In summary, the laser power, scanning speed, and hatch spacing have a significant effect on the formation of the molten pool, and the correct selection of these three process parameters is crucial to ensure the forming quality. In addition, the melt depth of the second track is slightly larger than that of the first track at higher line energy density � and volume energy density E. This is mainly due to the fact that a large amount of heat accumulation is generated after the first track, forming a larger molten pool volume, which leads to an increase in the melt depth.
D. Simulation analysis of molten pool with powder particle size and laser focal spot diameter
Figure 19 demonstrates the effect of different powder particle sizes and laser focal spot diameters on the morphology and temperature field of the double-track molten pool under a laser power of 100 W, a scanning speed of 800 mm/s, and a hatch spacing of 0.06 mm. In the process of melting coarse powder with small laser focal spot diameter, the laser energy cannot completely melt the larger powder particles, resulting in their partial melting and further generating excessive pore defects. The larger powder particles tend to generate zigzag molten pool edges, which cause an increase in the roughness of the melt track surface. In addition, the molten pool is also prone to generate the present spatter phenomenon, which can directly affect the quality of forming. The volume of the formed molten pool is relatively small, while the melt depth, melt width, and melt height are all smaller relative to the fine powder in Fig. 19(a). In the process of melting fine powders with a large laser focal spot diameter, the laser energy is able to melt the fine powder particles sufficiently, even to the point of overmelting. This results in a large number of fine spatters being generated at the edge of the molten pool, which causes porosity defects in the melt track in Fig. 19(b). In addition, the maximum velocity of the molten pool is larger for large powder particle sizes compared to small powder particle sizes, which indicates that the temperature gradient in the molten pool is larger for large powder particle sizes and the melt motion is more intense. However, the size of the laser focal spot diameter has a relatively small effect on the melt motion. However, a larger focal spot diameter induces a larger melt volume with greater depth, width, and height. In conclusion, a small powder size helps to reduce the surface roughness of the specimen, and a small laser spot diameter reduces the minimum forming size of a single track.
Simulation results of double-track molten pool with different powder particle size and laser focal spot diameter: (a) focal spot = 25 μm, coarse powder, (b) focal spot = 80 μm, fine powder.
Table V shows the maximum temperature gradient at the reference point for different powder sizes and laser focal spot diameters. As can be seen from the table, the maximum temperature gradient is lower than that of HP-LPBF for both coarse powders with a small laser spot diameter and fine powders with a large spot diameter, a phenomenon that leads to an increase in the heat transfer rate of HP-LPBF, which in turn leads to a corresponding increase in the cooling rate and, ultimately, to the formation of finer microstructures.
TABLE V.
Maximum temperature gradient at the reference point for different powder particle sizes and laser focal spot diameters.
Laser power (W)
Scanning speed (mm/s)
Hatch spacing (mm)
Average powder size (μm)
Laser focal spot diameter (μm)
Maximum temperature gradient (×107 K/s)
100
800
0.06
31.7
25
7.89
11.5
80
7.11
IV. CONCLUSIONS
In this study, the geometrical characteristics of 3D coarse and fine powder particles were first calculated using DEM and then numerical simulations of single track and double track in the process of forming SS316L from monolayer HP-LPBF at mesoscopic scale were developed using CFD method. The effects of Marangoni convection, surface tension, recoil pressure, gravity, thermal convection, thermal radiation, and evaporative heat dissipation on the heat and mass transfer in the molten pool were considered in this model. The effects of laser power, scanning speed, and hatch spacing on the dynamics of the single-track and double-track molten pools, as well as on other characteristic information, were investigated. The effects of the powder particle size on the molten pool were investigated comparatively with the laser focal spot diameter. The main conclusions are as follows:
The results show that the temperature gradient at the front of the molten pool is significantly larger than that at the tail, and the molten pool exhibits a “comet” morphology. At the top of the molten pool, there is a slightly concave region, which is the result of the coupling of Marangoni convection, recoil pressure, and surface tension. The melt flow forms two closed loops, which are mainly influenced by temperature gradients and surface tension. This special dynamic behavior of the melt tends to form an “elliptical” molten pool and an almost “mountain” shape in single-track forming.
The basic characteristics of the three-dimensional morphology and temperature field of the second track are similar to those of the first track, but there are subtle differences. The first track exhibits a basically symmetrical shape; however, due to the difference in thermal diffusion rates between the solidified metal and the powder, a slight asymmetry in the molten pool morphology of the second track occurs. After forming through the first track, there is a significant heat buildup in the powder bed, resulting in a longer dynamic time of the melt, which increases the life of the molten pool. The heights of the first track and second track remained essentially the same, but the depth of the second track was greater relative to the first track. In addition, the maximum temperature gradient was 1.69 × 108 K/s during HP-LPBF forming.
At low laser power, the surface tension in the molten pool plays a dominant role. At high laser power, recoil pressure becomes the main influencing factor. With the increase of laser power, the effective heat transfer in the vertical direction is superior to that in the horizontal direction. With the gradual increase of scanning speed, the surface morphology of the molten pool evolves from circular to elliptical. In addition, the scanning speed has a significant effect on the melt depth, melt width, melt height, remolten region, and overlapping ratio. Too large or too small hatch spacing will lead to remelting or non-lap phenomenon, which in turn causes the formation of defects.
When using a small laser focal spot diameter, it is difficult to completely melt large powder particle sizes, resulting in partial melting and excessive porosity generation. At the same time, large powder particles produce curved edges of the molten pool, resulting in increased surface roughness of the melt track. In addition, spatter occurs, which directly affects the forming quality. At small focal spot diameters, the molten pool volume is relatively small, and the melt depth, the melt width, and the melt height are correspondingly small. Taken together, the small powder particle size helps to reduce surface roughness, while the small spot diameter reduces the forming size.
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Review on Blood Flow Dynamics in Lab-on-a-Chip Systems: An Engineering Perspective
Bin-Jie Lai
,
Li-Tao Zhu
,
Zhe Chen*
,
Bo Ouyang*
, and
Zheng-Hong Luo*
Abstract
다양한 수송 메커니즘 하에서, “LOC(lab-on-a-chip)” 시스템에서 유동 전단 속도 조건과 밀접한 관련이 있는 혈류 역학은 다양한 수송 현상을 초래하는 것으로 밝혀졌습니다.
본 연구는 적혈구의 동적 혈액 점도 및 탄성 거동과 같은 점탄성 특성의 역할을 통해 LOC 시스템의 혈류 패턴을 조사합니다. 모세관 및 전기삼투압의 주요 매개변수를 통해 LOC 시스템의 혈액 수송 현상에 대한 연구는 실험적, 이론적 및 수많은 수치적 접근 방식을 통해 제공됩니다.
전기 삼투압 점탄성 흐름에 의해 유발되는 교란은 특히 향후 연구 기회를 위해 혈액 및 기타 점탄성 유체를 취급하는 LOC 장치의 혼합 및 분리 기능 향상에 논의되고 적용됩니다. 또한, 본 연구는 보다 정확하고 단순화된 혈류 모델에 대한 요구와 전기역학 효과 하에서 점탄성 유체 흐름에 대한 수치 연구에 대한 강조와 같은 LOC 시스템 하에서 혈류 역학의 수치 모델링의 문제를 식별합니다.
전기역학 현상을 연구하는 동안 제타 전위 조건에 대한 보다 실용적인 가정도 강조됩니다. 본 연구는 모세관 및 전기삼투압에 의해 구동되는 미세유체 시스템의 혈류 역학에 대한 포괄적이고 학제적인 관점을 제공하는 것을 목표로 한다.
1.1. Microfluidic Flow in Lab-on-a-Chip (LOC) Systems
Over the past several decades, the ability to control and utilize fluid flow patterns at microscales has gained considerable interest across a myriad of scientific and engineering disciplines, leading to growing interest in scientific research of microfluidics.
(1) Microfluidics, an interdisciplinary field that straddles physics, engineering, and biotechnology, is dedicated to the behavior, precise control, and manipulation of fluids geometrically constrained to a small, typically submillimeter, scale.
(2) The engineering community has increasingly focused on microfluidics, exploring different driving forces to enhance working fluid transport, with the aim of accurately and efficiently describing, controlling, designing, and applying microfluidic flow principles and transport phenomena, particularly for miniaturized applications.
(3) This attention has chiefly been fueled by the potential to revolutionize diagnostic and therapeutic techniques in the biomedical and pharmaceutical sectorsUnder various driving forces in microfluidic flows, intriguing transport phenomena have bolstered confidence in sustainable and efficient applications in fields such as pharmaceutical, biochemical, and environmental science. The “lab-on-a-chip” (LOC) system harnesses microfluidic flow to enable fluid processing and the execution of laboratory tasks on a chip-sized scale. LOC systems have played a vital role in the miniaturization of laboratory operations such as mixing, chemical reaction, separation, flow control, and detection on small devices, where a wide variety of fluids is adapted. Biological fluid flow like blood and other viscoelastic fluids are notably studied among the many working fluids commonly utilized by LOC systems, owing to the optimization in small fluid sample volumed, rapid response times, precise control, and easy manipulation of flow patterns offered by the system under various driving forces.
(4)The driving forces in blood flow can be categorized as passive or active transport mechanisms and, in some cases, both. Under various transport mechanisms, the unique design of microchannels enables different functionalities in driving, mixing, separating, and diagnosing blood and drug delivery in the blood.
(5) Understanding and manipulating these driving forces are crucial for optimizing the performance of a LOC system. Such knowledge presents the opportunity to achieve higher efficiency and reliability in addressing cellular level challenges in medical diagnostics, forensic studies, cancer detection, and other fundamental research areas, for applications of point-of-care (POC) devices.
1.2. Engineering Approach of Microfluidic Transport Phenomena in LOC Systems
Different transport mechanisms exhibit unique properties at submillimeter length scales in microfluidic devices, leading to significant transport phenomena that differ from those of macroscale flows. An in-depth understanding of these unique transport phenomena under microfluidic systems is often required in fluidic mechanics to fully harness the potential functionality of a LOC system to obtain systematically designed and precisely controlled transport of microfluids under their respective driving force. Fluid mechanics is considered a vital component in chemical engineering, enabling the analysis of fluid behaviors in various unit designs, ranging from large-scale reactors to separation units. Transport phenomena in fluid mechanics provide a conceptual framework for analytically and descriptively explaining why and how experimental results and physiological phenomena occur. The Navier–Stokes (N–S) equation, along with other governing equations, is often adapted to accurately describe fluid dynamics by accounting for pressure, surface properties, velocity, and temperature variations over space and time. In addition, limiting factors and nonidealities for these governing equations should be considered to impose corrections for empirical consistency before physical models are assembled for more accurate controls and efficiency. Microfluidic flow systems often deviate from ideal conditions, requiring adjustments to the standard governing equations. These deviations could arise from factors such as viscous effects, surface interactions, and non-Newtonian fluid properties from different microfluid types and geometrical layouts of microchannels. Addressing these nonidealities supports the refining of theoretical models and prediction accuracy for microfluidic flow behaviors.
The analytical calculation of coupled nonlinear governing equations, which describes the material and energy balances of systems under ideal conditions, often requires considerable computational efforts. However, advancements in computation capabilities, cost reduction, and improved accuracy have made numerical simulations using different numerical and modeling methods a powerful tool for effectively solving these complex coupled equations and modeling various transport phenomena. Computational fluid dynamics (CFD) is a numerical technique used to investigate the spatial and temporal distribution of various flow parameters. It serves as a critical approach to provide insights and reasoning for decision-making regarding the optimal designs involving fluid dynamics, even prior to complex physical model prototyping and experimental procedures. The integration of experimental data, theoretical analysis, and reliable numerical simulations from CFD enables systematic variation of analytical parameters through quantitative analysis, where adjustment to delivery of blood flow and other working fluids in LOC systems can be achieved.
Numerical methods such as the Finite-Difference Method (FDM), Finite-Element-Method (FEM), and Finite-Volume Method (FVM) are heavily employed in CFD and offer diverse approaches to achieve discretization of Eulerian flow equations through filling a mesh of the flow domain. A more in-depth review of numerical methods in CFD and its application for blood flow simulation is provided in Section 2.2.2.
1.3. Scope of the Review
In this Review, we explore and characterize the blood flow phenomena within the LOC systems, utilizing both physiological and engineering modeling approaches. Similar approaches will be taken to discuss capillary-driven flow and electric-osmotic flow (EOF) under electrokinetic phenomena as a passive and active transport scheme, respectively, for blood transport in LOC systems. Such an analysis aims to bridge the gap between physical (experimental) and engineering (analytical) perspectives in studying and manipulating blood flow delivery by different driving forces in LOC systems. Moreover, the Review hopes to benefit the interests of not only blood flow control in LOC devices but also the transport of viscoelastic fluids, which are less studied in the literature compared to that of Newtonian fluids, in LOC systems.
Section 2 examines the complex interplay between viscoelastic properties of blood and blood flow patterns under shear flow in LOC systems, while engineering numerical modeling approaches for blood flow are presented for assistance. Sections 3 and 4 look into the theoretical principles, numerical governing equations, and modeling methodologies for capillary driven flow and EOF in LOC systems as well as their impact on blood flow dynamics through the quantification of key parameters of the two driving forces. Section 5 concludes the characterized blood flow transport processes in LOC systems under these two forces. Additionally, prospective areas of research in improving the functionality of LOC devices employing blood and other viscoelastic fluids and potentially justifying mechanisms underlying microfluidic flow patterns outside of LOC systems are presented. Finally, the challenges encountered in the numerical studies of blood flow under LOC systems are acknowledged, paving the way for further research.
Blood, an essential physiological fluid in the human body, serves the vital role of transporting oxygen and nutrients throughout the body. Additionally, blood is responsible for suspending various blood cells including erythrocytes (red blood cells or RBCs), leukocytes (white blood cells), and thrombocytes (blood platelets) in a plasma medium.Among the cells mentioned above, red blood cells (RBCs) comprise approximately 40–45% of the volume of healthy blood.
(7) An RBC possesses an inherent elastic property with a biconcave shape of an average diameter of 8 μm and a thickness of 2 μm. This biconcave shape maximizes the surface-to-volume ratio, allowing RBCs to endure significant distortion while maintaining their functionality.
(8,9) Additionally, the biconcave shape optimizes gas exchange, facilitating efficient uptake of oxygen due to the increased surface area. The inherent elasticity of RBCs allows them to undergo substantial distortion from their original biconcave shape and exhibits high flexibility, particularly in narrow channels.RBC deformability enables the cell to deform from a biconcave shape to a parachute-like configuration, despite minor differences in RBC shape dynamics under shear flow between initial cell locations. As shown in Figure 1(a), RBCs initiating with different resting shapes and orientations displaying display a similar deformation pattern
(10) in terms of its shape. Shear flow induces an inward bending of the cell at the rear position of the rim to the final bending position,
(11) resulting in an alignment toward the same position of the flow direction.
Figure 1. Images of varying deformation of RBCs and different dynamic blood flow behaviors. (a) The deforming shape behavior of RBCs at four different initiating positions under the same experimental conditions of a flow from left to right, (10) (b) RBC aggregation, (13) (c) CFL region. (18) Reproduced with permission from ref (10). Copyright 2011 Elsevier. Reproduced with permission from ref (13). Copyright 2022 The Authors, under the terms of the Creative Commons (CC BY 4.0) License https://creativecommons.org/licenses/by/4.0/. Reproduced with permission from ref (18). Copyright 2019 Elsevier.
The flexible property of RBCs enables them to navigate through narrow capillaries and traverse a complex network of blood vessels. The deformability of RBCs depends on various factors, including the channel geometry, RBC concentration, and the elastic properties of the RBC membrane.
(12) Both flexibility and deformability are vital in the process of oxygen exchange among blood and tissues throughout the body, allowing cells to flow in vessels even smaller than the original cell size prior to deforming.As RBCs serve as major components in blood, their collective dynamics also hugely affect blood rheology. RBCs exhibit an aggregation phenomenon due to cell to cell interactions, such as adhesion forces, among populated cells, inducing unique blood flow patterns and rheological behaviors in microfluidic systems. For blood flow in large vessels between a diameter of 1 and 3 cm, where shear rates are not high, a constant viscosity and Newtonian behavior for blood can be assumed. However, under low shear rate conditions (0.1 s
–1) in smaller vessels such as the arteries and venules, which are within a diameter of 0.2 mm to 1 cm, blood exhibits non-Newtonian properties, such as shear-thinning viscosity and viscoelasticity due to RBC aggregation and deformability. The nonlinear viscoelastic property of blood gives rise to a complex relationship between viscosity and shear rate, primarily influenced by the highly elastic behavior of RBCs. A wide range of research on the transient behavior of the RBC shape and aggregation characteristics under varied flow circumstances has been conducted, aiming to obtain a better understanding of the interaction between blood flow shear forces from confined flows.
For a better understanding of the unique blood flow structures and rheological behaviors in microfluidic systems, some blood flow patterns are introduced in the following section.
2.1.1. RBC Aggregation
RBC aggregation is a vital phenomenon to be considered when designing LOC devices due to its impact on the viscosity of the bulk flow. Under conditions of low shear rate, such as in stagnant or low flow rate regions, RBCs tend to aggregate, forming structures known as rouleaux, resembling stacks of coins as shown in Figure 1(b).
(13) The aggregation of RBCs increases the viscosity at the aggregated region,
(14) hence slowing down the overall blood flow. However, when exposed to high shear rates, RBC aggregates disaggregate. As shear rates continue to increase, RBCs tend to deform, elongating and aligning themselves with the direction of the flow.
(15) Such a dynamic shift in behavior from the cells in response to the shear rate forms the basis of the viscoelastic properties observed in whole blood. In essence, the viscosity of the blood varies according to the shear rate conditions, which are related to the velocity gradient of the system. It is significant to take the intricate relationship between shear rate conditions and the change of blood viscosity due to RBC aggregation into account since various flow driving conditions may induce varied effects on the degree of aggregation.
2.1.2. Fåhræus-Lindqvist Effect
The Fåhræus–Lindqvist (FL) effect describes the gradual decrease in the apparent viscosity of blood as the channel diameter decreases.
(16) This effect is attributed to the migration of RBCs toward the central region in the microchannel, where the flow rate is higher, due to the presence of higher pressure and asymmetric distribution of shear forces. This migration of RBCs, typically observed at blood vessels less than 0.3 mm, toward the higher flow rate region contributes to the change in blood viscosity, which becomes dependent on the channel size. Simultaneously, the increase of the RBC concentration in the central region of the microchannel results in the formation of a less viscous region close to the microchannel wall. This region called the Cell-Free Layer (CFL), is primarily composed of plasma.
(17) The combination of the FL effect and the following CFL formation provides a unique phenomenon that is often utilized in passive and active plasma separation mechanisms, involving branched and constriction channels for various applications in plasma separation using microfluidic systems.
2.1.3. Cell-Free Layer Formation
In microfluidic blood flow, RBCs form aggregates at the microchannel core and result in a region that is mostly devoid of RBCs near the microchannel walls, as shown in Figure 1(c).
(18) The region is known as the cell-free layer (CFL). The CFL region is often known to possess a lower viscosity compared to other regions within the blood flow due to the lower viscosity value of plasma when compared to that of the aggregated RBCs. Therefore, a thicker CFL region composed of plasma correlates to a reduced apparent whole blood viscosity.
(19) A thicker CFL region is often established following the RBC aggregation at the microchannel core under conditions of decreasing the tube diameter. Apart from the dependence on the RBC concentration in the microchannel core, the CFL thickness is also affected by the volume concentration of RBCs, or hematocrit, in whole blood, as well as the deformability of RBCs. Given the influence CFL thickness has on blood flow rheological parameters such as blood flow rate, which is strongly dependent on whole blood viscosity, investigating CFL thickness under shear flow is crucial for LOC systems accounting for blood flow.
2.1.4. Plasma Skimming in Bifurcation Networks
The uneven arrangement of RBCs in bifurcating microchannels, commonly termed skimming bifurcation, arises from the axial migration of RBCs within flowing streams. This uneven distribution contributes to variations in viscosity across differing sizes of bifurcating channels but offers a stabilizing effect. Notably, higher flow rates in microchannels are associated with increased hematocrit levels, resulting in higher viscosity compared with those with lower flow rates. Parametric investigations on bifurcation angle,
(21) and RBC dynamics, including aggregation and deformation,
(22) may alter the varying viscosity of blood and its flow behavior within microchannels.
2.2. Modeling on Blood Flow Dynamics
2.2.1. Blood Properties and Mathematical Models of Blood Rheology
Under different shear rate conditions in blood flow, the elastic characteristics and dynamic changes of the RBC induce a complex velocity and stress relationship, resulting in the incompatibility of blood flow characterization through standard presumptions of constant viscosity used for Newtonian fluid flow. Blood flow is categorized as a viscoelastic non-Newtonian fluid flow where constitutive equations governing this type of flow take into consideration the nonlinear viscometric properties of blood. To mathematically characterize the evolving blood viscosity and the relationship between the elasticity of RBC and the shear blood flow, respectively, across space and time of the system, a stress tensor (τ) defined by constitutive models is often coupled in the Navier–Stokes equation to account for the collective impact of the constant dynamic viscosity (η) and the elasticity from RBCs on blood flow.The dynamic viscosity of blood is heavily dependent on the shear stress applied to the cell and various parameters from the blood such as hematocrit value, plasma viscosity, mechanical properties of the RBC membrane, and red blood cell aggregation rate. The apparent blood viscosity is considered convenient for the characterization of the relationship between the evolving blood viscosity and shear rate, which can be defined by Casson’s law, as shown in eq 1.
𝜇=𝜏0𝛾˙+2𝜂𝜏0𝛾˙⎯⎯⎯⎯⎯⎯⎯√+𝜂�=�0�˙+2��0�˙+�
(1)where τ
0 is the yield stress–stress required to initiate blood flow motion, η is the Casson rheological constant, and γ̇ is the shear rate. The value of Casson’s law parameters under blood with normal hematocrit level can be defined as τ
0 = 0.0056 Pa and η = 0.0035 Pa·s.
(23) With the known property of blood and Casson’s law parameters, an approximation can be made to the dynamic viscosity under various flow condition domains. The Power Law model is often employed to characterize the dynamic viscosity in relation to the shear rate, since precise solutions exist for specific geometries and flow circumstances, acting as a fundamental standard for definition. The Carreau and Carreau–Yasuda models can be advantageous over the Power Law model due to their ability to evaluate the dynamic viscosity at low to zero shear rate conditions. However, none of the above-mentioned models consider the memory or other elastic behavior of blood and its RBCs. Some other commonly used mathematical models and their constants for the non-Newtonian viscosity property characterization of blood are listed in Table 1 below.
(24−26)Table 1. Comparison of Various Non-Newtonian Models for Blood Viscosity
The blood rheology is commonly known to be influenced by two key physiological factors, namely, the hematocrit value (H
t) and the fibrinogen concentration (c
f), with an average value of 42% and 0.252 gd·L
–1, respectively. Particularly in low shear conditions, the presence of varying fibrinogen concentrations affects the tendency for aggregation and rouleaux formation, while the occurrence of aggregation is contingent upon specific levels of hematocrit.
(28) modifies the Casson model through emphasizing its reliance on hematocrit and fibrinogen concentration parameter values, owing to the extensive knowledge of the two physiological blood parameters.The viscoelastic response of blood is heavily dependent on the elasticity of the RBC, which is defined by the relationship between the deformation and stress relaxation from RBCs under a specific location of shear flow as a function of the velocity field. The stress tensor is usually characterized by constitutive equations such as the Upper-Convected Maxwell Model
(30) to track the molecule effects under shear from different driving forces. The prominent non-Newtonian features, such as shear thinning and yield stress, have played a vital role in the characterization of blood rheology, particularly with respect to the evaluation of yield stress under low shear conditions. The nature of stress measurement in blood, typically on the order of 1 mPa, is challenging due to its low magnitude. The occurrence of the CFL complicates the measurement further due to the significant decrease in apparent viscosity near the wall over time and a consequential disparity in viscosity compared to the bulk region.In addition to shear thinning viscosity and yield stress, the formation of aggregation (rouleaux) from RBCs under low shear rates also contributes to the viscoelasticity under transient flow
(32) of whole blood. Given the difficulty in evaluating viscoelastic behavior of blood under low strain magnitudes and limitations in generalized Newtonian models, the utilization of viscoelastic models is advocated to encompass elasticity and delineate non-shear components within the stress tensor. Extending from the Oldroyd-B model, Anand et al.
(33) developed a viscoelastic model framework for adapting elasticity within blood samples and predicting non-shear stress components. However, to also address the thixotropic effects, the model developed by Horner et al.
(34) serves as a more comprehensive approach than the viscoelastic model from Anand et al. Thixotropy
(32) typically occurs from the structural change of the rouleaux, where low shear rate conditions induce rouleaux formation. Correspondingly, elasticity increases, while elasticity is more representative of the isolated RBCs, under high shear rate conditions. The model of Horner et al.
(34) considers the contribution of rouleaux to shear stress, taking into account factors such as the characteristic time for Brownian aggregation, shear-induced aggregation, and shear-induced breakage. Subsequent advancements in the model from Horner et al. often revolve around refining the three aforementioned key terms for a more substantial characterization of rouleaux dynamics. Notably, this has led to the recently developed mHAWB model
(35) and other model iterations to enhance the accuracy of elastic and viscoelastic contributions to blood rheology, including the recently improved model suggested by Armstrong et al.
Numerical simulation has become increasingly more significant in analyzing the geometry, boundary layers of flow, and nonlinearity of hyperbolic viscoelastic flow constitutive equations. CFD is a powerful and efficient tool utilizing numerical methods to solve the governing hydrodynamic equations, such as the Navier–Stokes (N–S) equation, continuity equation, and energy conservation equation, for qualitative evaluation of fluid motion dynamics under different parameters. CFD overcomes the challenge of analytically solving nonlinear forms of differential equations by employing numerical methods such as the Finite-Difference Method (FDM), Finite-Element Method (FEM), and Finite-Volume Method (FVM) to discretize and solve the partial differential equations (PDEs), allowing for qualitative reproduction of transport phenomena and experimental observations. Different numerical methods are chosen to cope with various transport systems for optimization of the accuracy of the result and control of error during the discretization process.FDM is a straightforward approach to discretizing PDEs, replacing the continuum representation of equations with a set of finite-difference equations, which is typically applied to structured grids for efficient implementation in CFD programs.
(37) However, FDM is often limited to simple geometries such as rectangular or block-shaped geometries and struggles with curved boundaries. In contrast, FEM divides the fluid domain into small finite grids or elements, approximating PDEs through a local description of physics.
(38) All elements contribute to a large, sparse matrix solver. However, FEM may not always provide accurate results for systems involving significant deformation and aggregation of particles like RBCs due to large distortion of grids.
(39) FVM evaluates PDEs following the conservation laws and discretizes the selected flow domain into small but finite size control volumes, with each grid at the center of a finite volume.
(40) The divergence theorem allows the conversion of volume integrals of PDEs with divergence terms into surface integrals of surface fluxes across cell boundaries. Due to its conservation property, FVM offers efficient outcomes when dealing with PDEs that embody mass, momentum, and energy conservation principles. Furthermore, widely accessible software packages like the OpenFOAM toolbox
(41) include a viscoelastic solver, making it an attractive option for viscoelastic fluid flow modeling.
The complexity in the blood flow simulation arises from deformability and aggregation that RBCs exhibit during their interaction with neighboring cells under different shear rate conditions induced by blood flow. Numerical models coupled with simulation programs have been applied as a groundbreaking method to predict such unique rheological behavior exhibited by RBCs and whole blood. The conventional approach of a single-phase flow simulation is often applied to blood flow simulations within large vessels possessing a moderate shear rate. However, such a method assumes the properties of plasma, RBCs and other cellular components to be evenly distributed as average density and viscosity in blood, resulting in the inability to simulate the mechanical dynamics, such as RBC aggregation under high-shear flow field, inherent in RBCs. To accurately describe the asymmetric distribution of RBC and blood flow, multiphase flow simulation, where numerical simulations of blood flows are often modeled as two immiscible phases, RBCs and blood plasma, is proposed. A common assumption is that RBCs exhibit non-Newtonian behavior while the plasma is treated as a continuous Newtonian phase.Numerous multiphase numerical models have been proposed to simulate the influence of RBCs on blood flow dynamics by different assumptions. In large-scale simulations (above the millimeter range), continuum-based methods are wildly used due to their lower computational demands.
(43) Eulerian multiphase flow simulations offer the solution of a set of conservation equations for each separate phase and couple the phases through common pressure and interphase exchange coefficients. Xu et al.
(44) utilized the combined finite-discrete element method (FDEM) to replicate the dynamic behavior and distortion of RBCs subjected to fluidic forces, utilizing the Johnson–Kendall–Roberts model
(45) to define the adhesive forces of cell-to-cell interactions. The iterative direct-forcing immersed boundary method (IBM) is commonly employed in simulations of the fluid–cell interface of blood. This method effectively captures the intricacies of the thin and flexible RBC membranes within various external flow fields.
(44) also adopts this approach to bridge the fluid dynamics and RBC deformation through IBM. Yoon and You utilized the Maxwell model to define the viscosity of the RBC membrane.
(47) It was discovered that the Maxwell model could represent the stress relaxation and unloading processes of the cell. Furthermore, the reduced flexibility of an RBC under particular situations such as infection is specified, which was unattainable by the Kelvin–Voigt model
(48) when compared to the Maxwell model in the literature. The Yeoh hyperplastic material model was also adapted to predict the nonlinear elasticity property of RBCs with FEM employed to discretize the RBC membrane using shell-type elements. Gracka et al.
(49) developed a numerical CFD model with a finite-volume parallel solver for multiphase blood flow simulation, where an updated Maxwell viscoelasticity model and a Discrete Phase Model are adopted. In the study, the adapted IBM, based on unstructured grids, simulates the flow behavior and shape change of the RBCs through fluid-structure coupling. It was found that the hybrid Euler–Lagrange (E–L) approach
(50) for the development of the multiphase model offered better results in the simulated CFL region in the microchannels.To study the dynamics of individual behaviors of RBCs and the consequent non-Newtonian blood flow, cell-shape-resolved computational models are often adapted. The use of the boundary integral method has become prevalent in minimizing computational expenses, particularly in the exclusive determination of fluid velocity on the surfaces of RBCs, incorporating the option of employing IBM or particle-based techniques. The cell-shaped-resolved method has enabled an examination of cell to cell interactions within complex ambient or pulsatile flow conditions
(51) surrounding RBC membranes. Recently, Rydquist et al.
(52) have looked to integrate statistical information from macroscale simulations to obtain a comprehensive overview of RBC behavior within the immediate proximity of the flow through introduction of respective models characterizing membrane shape definition, tension, bending stresses of RBC membranes.At a macroscopic scale, continuum models have conventionally been adapted for assessing blood flow dynamics through the application of elasticity theory and fluid dynamics. However, particle-based methods are known for their simplicity and adaptability in modeling complex multiscale fluid structures. Meshless methods, such as the boundary element method (BEM), smoothed particle hydrodynamics (SPH), and dissipative particle dynamics (DPD), are often used in particle-based characterization of RBCs and the surrounding fluid. By representing the fluid as discrete particles, meshless methods provide insights into the status and movement of the multiphase fluid. These methods allow for the investigation of cellular structures and microscopic interactions that affect blood rheology. Non-confronting mesh methods like IBM can also be used to couple a fluid solver such as FEM, FVM, or the Lattice Boltzmann Method (LBM) through membrane representation of RBCs. In comparison to conventional CFD methods, LBM has been viewed as a favorable numerical approach for solving the N–S equations and the simulation of multiphase flows. LBM exhibits the notable advantage of being amenable to high-performance parallel computing environments due to its inherently local dynamics. In contrast to DPD and SPH where RBC membranes are modeled as physically interconnected particles, LBM employs the IBM to account for the deformation dynamics of RBCs
(53,54) under shear flows in complex channel geometries.
(54,55) However, it is essential to acknowledge that the utilization of LBM in simulating RBC flows often entails a significant computational overhead, being a primary challenge in this context. Krüger et al.
(56) proposed utilizing LBM as a fluid solver, IBM to couple the fluid and FEM to compute the response of membranes to deformation under immersed fluids. This approach decouples the fluid and membranes but necessitates significant computational effort due to the requirements of both meshes and particles.Despite the accuracy of current blood flow models, simulating complex conditions remains challenging because of the high computational load and cost. Balachandran Nair et al.
(57) suggested a reduced order model of RBC under the framework of DEM, where the RBC is represented by overlapping constituent rigid spheres. The Morse potential force is adapted to account for the RBC aggregation exhibited by cell to cell interactions among RBCs at different distances. Based upon the IBM, the reduced-order RBC model is adapted to simulate blood flow transport for validation under both single and multiple RBCs with a resolved CFD-DEM solver.
(58) In the resolved CFD-DEM model, particle sizes are larger than the grid size for a more accurate computation of the surrounding flow field. A continuous forcing approach is taken to describe the momentum source of the governing equation prior to discretization, which is different from a Direct Forcing Method (DFM).
(59) As no body-conforming moving mesh is required, the continuous forcing approach offers lower complexity and reduced cost when compared to the DFM. Piquet et al.
(60) highlighted the high complexity of the DFM due to its reliance on calculating an additional immersed boundary flux for the velocity field to ensure its divergence-free condition.The fluid–structure interaction (FSI) method has been advocated to connect the dynamic interplay of RBC membranes and fluid plasma within blood flow such as the coupling of continuum–particle interactions. However, such methodology is generally adapted for anatomical configurations such as arteries
(63) where both the structural components and the fluid domain undergo substantial deformation due to the moving boundaries. Due to the scope of the Review being blood flow simulation within microchannels of LOC devices without deformable boundaries, the Review of the FSI method will not be further carried out.In general, three numerical methods are broadly used: mesh-based, particle-based, and hybrid mesh–particle techniques, based on the spatial scale and the fundamental numerical approach, mesh-based methods tend to neglect the effects of individual particles, assuming a continuum and being efficient in terms of time and cost. However, the particle-based approach highlights more of the microscopic and mesoscopic level, where the influence of individual RBCs is considered. A review from Freund et al.
(64) addressed the three numerical methodologies and their respective modeling approaches of RBC dynamics. Given the complex mechanics and the diverse levels of study concerning numerical simulations of blood and cellular flow, a broad spectrum of numerical methods for blood has been subjected to extensive review.
(65) offered an extensive review of the application of the DPD, SPH, and LBM for numerical simulations of RBC, while Rathnayaka et al.
(67) conducted a review of the particle-based numerical modeling for liquid marbles through drawing parallels to the transport of RBCs in microchannels. A comparative analysis between conventional CFD methods and particle-based approaches for cellular and blood flow dynamic simulation can be found under the review by Arabghahestani et al.
(69) offer an overview of both continuum-based models at micro/macroscales and multiscale particle-based models encompassing various length and temporal dimensions. Furthermore, these reviews deliberate upon the potential of coupling continuum-particle methods for blood plasma and RBC modeling. Arciero et al.
(70) investigated various modeling approaches encompassing cellular interactions, such as cell to cell or plasma interactions and the individual cellular phases. A concise overview of the reviews is provided in Table 2 for reference.
Table 2. List of Reviews for Numerical Approaches Employed in Blood Flow Simulation
Capillary driven (CD) flow is a pivotal mechanism in passive microfluidic flow systems
(9) such as the blood circulation system and LOC systems.
(71) CD flow is essentially the movement of a liquid to flow against drag forces, where the capillary effect exerts a force on the liquid at the borders, causing a liquid–air meniscus to flow despite gravity or other drag forces. A capillary pressure drops across the liquid–air interface with surface tension in the capillary radius and contact angle. The capillary effect depends heavily on the interaction between the different properties of surface materials. Different values of contact angles can be manipulated and obtained under varying levels of surface wettability treatments to manipulate the surface properties, resulting in different CD blood delivery rates for medical diagnostic device microchannels. CD flow techniques are appealing for many LOC devices, because they require no external energy. However, due to the passive property of liquid propulsion by capillary forces and the long-term instability of surface treatments on channel walls, the adaptability of CD flow in geometrically complex LOC devices may be limited.
3.2. Theoretical and Numerical Modeling of Capillary Driven Blood Flow
3.2.1. Theoretical Basis and Assumptions of Microfluidic Flow
The study of transport phenomena regarding either blood flow driven by capillary forces or externally applied forces under microfluid systems all demands a comprehensive recognition of the significant differences in flow dynamics between microscale and macroscale. The fundamental assumptions and principles behind fluid transport at the microscale are discussed in this section. Such a comprehension will lay the groundwork for the following analysis of the theoretical basis of capillary forces and their role in blood transport in LOC systems.
At the macroscale, fluid dynamics are often strongly influenced by gravity due to considerable fluid mass. However, the high surface to volume ratio at the microscale shifts the balance toward surface forces (e.g., surface tension and viscous forces), much larger than the inertial force. This difference gives rise to transport phenomena unique to microscale fluid transport, such as the prevalence of laminar flow due to a very low Reynolds number (generally lower than 1). Moreover, the fluid in a microfluidic system is often assumed to be incompressible due to the small flow velocity, indicating constant fluid density in both space and time.Microfluidic flow behaviors are governed by the fundamental principles of mass and momentum conservation, which are encapsulated in the continuity equation and the Navier–Stokes (N–S) equation. The continuity equation describes the conservation of mass, while the N–S equation captures the spatial and temporal variations in velocity, pressure, and other physical parameters. Under the assumption of the negligible influence of gravity in microfluidic systems, the continuity equation and the Eulerian representation of the incompressible N–S equation can be expressed as follows:
∇·𝐮⇀=0∇·�⇀=0
(7)
−∇𝑝+𝜇∇2𝐮⇀+∇·𝝉⇀−𝐅⇀=0−∇�+�∇2�⇀+∇·�⇀−�⇀=0
(8)Here, p is the pressure, u is the fluid viscosity,
𝝉⇀�⇀ represents the stress tensor, and F is the body force exerted by external forces if present.
3.2.2. Theoretical Basis and Modeling of Capillary Force in LOC Systems
The capillary force is often the major driving force to manipulate and transport blood without an externally applied force in LOC systems. Forces induced by the capillary effect impact the free surface of fluids and are represented not directly in the Navier–Stokes equations but through the pressure boundary conditions of the pressure term p. For hydrophilic surfaces, the liquid generally induces a contact angle between 0° and 30°, encouraging the spread and attraction of fluid under a positive cos θ condition. For this condition, the pressure drop becomes positive and generates a spontaneous flow forward. A hydrophobic solid surface repels the fluid, inducing minimal contact. Generally, hydrophobic solids exhibit a contact angle larger than 90°, inducing a negative value of cos θ. Such a value will result in a negative pressure drop and a flow in the opposite direction. The induced contact angle is often utilized to measure the wall exposure of various surface treatments on channel walls where different wettability gradients and surface tension effects for CD flows are established. Contact angles between different interfaces are obtainable through standard values or experimental methods for reference.
(72)For the characterization of the induced force by the capillary effect, the Young–Laplace (Y–L) equation
(73) is widely employed. In the equation, the capillary is considered a pressure boundary condition between the two interphases. Through the Y–L equation, the capillary pressure force can be determined, and subsequently, the continuity and momentum balance equations can be solved to obtain the blood filling rate. Kim et al.
(74) studied the effects of concentration and exposure time of a nonionic surfactant, Silwet L-77, on the performance of a polydimethylsiloxane (PDMS) microchannel in terms of plasma and blood self-separation. The study characterized the capillary pressure force by incorporating the Y–L equation and further evaluated the effects of the changing contact angle due to different levels of applied channel wall surface treatments. The expression of the Y–L equation utilized by Kim et al.
(9)where σ is the surface tension of the liquid and θ
b, θ
t, θ
l, and θ
r are the contact angle values between the liquid and the bottom, top, left, and right walls, respectively. A numerical simulation through Coventor software is performed to evaluate the dynamic changes in the filling rate within the microchannel. The simulation results for the blood filling rate in the microchannel are expressed at a specific time stamp, shown in Figure 2. The results portray an increasing instantaneous filling rate of blood in the microchannel following the decrease in contact angle induced by a higher concentration of the nonionic surfactant treated to the microchannel wall.
Figure 2. Numerical simulation of filling rate of capillary driven blood flow under various contact angle conditions at a specific timestamp. (74) Reproduced with permission from ref (74). Copyright 2010 Elsevier.
When in contact with hydrophilic or hydrophobic surfaces, blood forms a meniscus with a contact angle due to surface tension. The Lucas–Washburn (L–W) equation
(75) is one of the pioneering theoretical definitions for the position of the meniscus over time. In addition, the L–W equation provides the possibility for research to obtain the velocity of the blood formed meniscus through the derivation of the meniscus position. The L–W equation
(10)Here L(t) represents the distance of the liquid driven by the capillary forces. However, the generalized L–W equation solely assumes the constant physical properties from a Newtonian fluid rather than considering the non-Newtonian fluid behavior of blood. Cito et al.
(76) constructed an enhanced version of the L–W equation incorporating the power law to consider the RBC aggregation and the FL effect. The non-Newtonian fluid apparent viscosity under the Power Law model is defined as
𝜇=𝑘·(𝛾˙)𝑛−1�=�·(�˙)�−1
(11)where γ̇ is the strain rate tensor defined as
𝛾˙=12𝛾˙𝑖𝑗𝛾˙𝑗𝑖⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯√�˙=12�˙���˙��. The stress tensor term τ is computed as τ = μγ̇
(12)where k is the flow consistency index and n is the power law index, respectively. The power law index, from the Power Law model, characterizes the extent of the non-Newtonian behavior of blood. Both the consistency and power law index rely on blood properties such as hematocrit, the appearance of the FL effect, the formation of RBC aggregates, etc. The updated L–W equation computes the location and velocity of blood flow caused by capillary forces at specified time points within the LOC devices, taking into account the effects of blood flow characteristics such as RBC aggregation and the FL effect on dynamic blood viscosity.Apart from the blood flow behaviors triggered by inherent blood properties, unique flow conditions driven by capillary forces that are portrayed under different microchannel geometries also hold crucial implications for CD blood delivery. Berthier et al.
(77) studied the spontaneous Concus–Finn condition, the condition to initiate the spontaneous capillary flow within a V-groove microchannel, as shown in Figure 3(a) both experimentally and numerically. Through experimental studies, the spontaneous Concus–Finn filament development of capillary driven blood flow is observed, as shown in Figure 3(b), while the dynamic development of blood flow is numerically simulated through CFD simulation.
Figure 3. (a) Sketch of the cross-section of Berthier’s V-groove microchannel, (b) experimental view of blood in the V-groove microchannel, (78) (c) illustration of the dynamic change of the extension of filament from FLOW 3D under capillary flow at three increasing time intervals. (78) Reproduced with permission from ref (78). Copyright 2014 Elsevier.
Berthier et al.
(77) characterized the contact angle needed for the initiation of the capillary driving force at a zero-inlet pressure, through the half-angle (α) of the V-groove geometry layout, and its relation to the Concus–Finn filament as shown below:
(13)Three possible regimes were concluded based on the contact angle value for the initiation of flow and development of Concus–Finn filament:
𝜃>𝜃1𝜃1>𝜃>𝜃0𝜃0no SCFSCF without a Concus−Finn filamentSCF without a Concus−Finn filament{�>�1no SCF�1>�>�0SCF without a Concus−Finn filament�0SCF without a Concus−Finn filament
(14)Under Newton’s Law, the force balance with low Reynolds and Capillary numbers results in the neglect of inertial terms. The force balance between the capillary forces and the viscous force induced by the channel wall is proposed to derive the analytical fluid velocity. This relation between the two forces offers insights into the average flow velocity and the penetration distance function dependent on time. The apparent blood viscosity is defined by Berthier et al.
(23) given in eq 1. The research used the FLOW-3D program from Flow Science Inc. software, which solves transient, free-surface problems using the FDM in multiple dimensions. The Volume of Fluid (VOF) method
(79) is utilized to locate and track the dynamic extension of filament throughout the advancing interface within the channel ahead of the main flow at three progressing time stamps, as depicted in Figure 3(c).
The utilization of external forces, such as electric fields, has significantly broadened the possibility of manipulating microfluidic flow in LOC systems.
(80) Externally applied electric field forces induce a fluid flow from the movement of ions in fluid terms as the “electro-osmotic flow” (EOF).Unique transport phenomena, such as enhanced flow velocity and flow instability, induced by non-Newtonian fluids, particularly viscoelastic fluids, under EOF, have sparked considerable interest in microfluidic devices with simple or complicated geometries within channels.
(81) However, compared to the study of Newtonian fluids and even other electro-osmotic viscoelastic fluid flows, the literature focusing on the theoretical and numerical modeling of electro-osmotic blood flow is limited due to the complexity of blood properties. Consequently, to obtain a more comprehensive understanding of the complex blood flow behavior under EOF, theoretical and numerical studies of the transport phenomena in the EOF section will be based on the studies of different viscoelastic fluids under EOF rather than that of blood specifically. Despite this limitation, we believe these studies offer valuable insights that can help understand the complex behavior of blood flow under EOF.
4.1. EOF Phenomena
Electro-osmotic flow occurs at the interface between the microchannel wall and bulk phase solution. When in contact with the bulk phase, solution ions are absorbed or dissociated at the solid–liquid interface, resulting in the formation of a charge layer, as shown in Figure 4. This charged channel surface wall interacts with both negative and positive ions in the bulk sample, causing repulsion and attraction forces to create a thin layer of immobilized counterions, known as the Stern layer. The induced electric potential from the wall gradually decreases with an increase in the distance from the wall. The Stern layer potential, commonly termed the zeta potential, controls the intensity of the electrostatic interactions between mobile counterions and, consequently, the drag force from the applied electric field. Next to the Stern layer is the diffuse mobile layer, mainly composed of a mobile counterion. These two layers constitute the “electrical double layer” (EDL), the thickness of which is directly proportional to the ionic strength (concentration) of the bulk fluid. The relationship between the two parameters is characterized by a Debye length (λ
D), expressed as
𝜆𝐷=𝜖𝑘B𝑇2(𝑍𝑒)2𝑐0⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯√��=��B�2(��)2�0
(15)where ϵ is the permittivity of the electrolyte solution, k
B is the Boltzmann constant, T is the electron temperature, Z is the integer valence number, e is the elementary charge, and c
0 is the ionic density.
Figure 4. Schematic diagram of an electro-osmotic flow in a microchannel with negative surface charge. (82) Reproduced with permission from ref (82). Copyright 2012 Woodhead Publishing.
When an electric field is applied perpendicular to the EDL, viscous drag is generated due to the movement of excess ions in the EDL. Electro-osmotic forces can be attributed to the externally applied electric potential (ϕ) and the zeta potential, the system wall induced potential by charged walls (ψ). As illustrated in Figure 4, the majority of ions in the bulk phase have a uniform velocity profile, except for a shear rate condition confined within an extremely thin Stern layer. Therefore, EOF displays a unique characteristic of a “near flat” or plug flow velocity profile, different from the parabolic flow typically induced by pressure-driven microfluidic flow (Hagen–Poiseuille flow). The plug-shaped velocity profile of the EOF possesses a high shear rate above the Stern layer.Overall, the EOF velocity magnitude is typically proportional to the Debye Length (λ
D), zeta potential, and magnitude of the externally applied electric field, while a more viscous liquid reduces the EOF velocity.
4.2. Modeling on Electro-osmotic Viscoelastic Fluid Flow
4.2.1. Theoretical Basis of EOF Mechanisms
The EOF of an incompressible viscoelastic fluid is commonly governed by the continuity and incompressible N–S equations, as shown in eqs 7 and 8, where the stress tensor and the electrostatic force term are coupled. The electro-osmotic body force term F, representing the body force exerted by the externally applied electric force, is defined as
𝐹⇀=𝑝𝐸𝐸⇀�⇀=���⇀, where ρ
E and
𝐸⇀�⇀ are the net electric charge density and the applied external electric field, respectively.Numerous models are established to theoretically study the externally applied electric potential and the system wall induced potential by charged walls. The following Laplace equation, expressed as eq 16, is generally adapted and solved to calculate the externally applied potential (ϕ).
∇2𝜙=0∇2�=0
(16)Ion diffusion under applied electric fields, together with mass transport resulting from convection and diffusion, transports ionic solutions in bulk flow under electrokinetic processes. The Nernst–Planck equation can describe these transport methods, including convection, diffusion, and electro-diffusion. Therefore, the Nernst–Planck equation is used to determine the distribution of the ions within the electrolyte. The electric potential induced by the charged channel walls follows the Poisson–Nernst–Plank (PNP) equation, which can be written as eq 17.
i are the diffusion coefficient, ionic concentration, and ionic valence of the ionic species I, respectively. However, due to the high nonlinearity and numerical stiffness introduced by different lengths and time scales from the PNP equations, the Poisson–Boltzmann (PB) model is often considered the major simplified method of the PNP equation to characterize the potential distribution of the EDL region in microchannels. In the PB model, it is assumed that the ionic species in the fluid follow the Boltzmann distribution. This model is typically valid for steady-state problems where charge transport can be considered negligible, the EDLs do not overlap with each other, and the intrinsic potentials are low. It provides a simplified representation of the potential distribution in the EDL region. The PB equation governing the EDL electric potential distribution is described as
0 is the ion bulk concentration, z is the ionic valence, and ε
0 is the electric permittivity in the vacuum. Under low electric potential conditions, an even further simplified model to illustrate the EOF phenomena is the Debye–Hückel (DH) model. The DH model is derived by obtaining a charge density term by expanding the exponential term of the Boltzmann equation in a Taylor series.
4.2.2. EOF Modeling for Viscoelastic Fluids
Many studies through numerical modeling were performed to obtain a deeper understanding of the effect exhibited by externally applied electric fields on viscoelastic flow in microchannels under various geometrical designs. Bello et al.
(83) found that methylcellulose solution, a non-Newtonian polymer solution, resulted in stronger electro-osmotic mobility in experiments when compared to the predictions by the Helmholtz–Smoluchowski equation, which is commonly used to define the velocity of EOF of a Newtonian fluid. Being one of the pioneers to identify the discrepancies between the EOF of Newtonian and non-Newtonian fluids, Bello et al. attributed such discrepancies to the presence of a very high shear rate in the EDL, resulting in a change in the orientation of the polymer molecules. Park and Lee
(84) utilized the FVM to solve the PB equation for the characterization of the electric field induced force. In the study, the concept of fractional calculus for the Oldroyd-B model was adapted to illustrate the elastic and memory effects of viscoelastic fluids in a straight microchannel They observed that fluid elasticity and increased ratio of viscoelastic fluid contribution to overall fluid viscosity had a significant impact on the volumetric flow rate and sensitivity of velocity to electric field strength compared to Newtonian fluids. Afonso et al.
(85) derived an analytical expression for EOF of viscoelastic fluid between parallel plates using the DH model to account for a zeta potential condition below 25 mV. The study established the understanding of the electro-osmotic viscoelastic fluid flow under low zeta potential conditions. Apart from the electrokinetic forces, pressure forces can also be coupled with EOF to generate a unique fluid flow behavior within the microchannel. Sousa et al.
(86) analytically studied the flow of a standard viscoelastic solution by combining the pressure gradient force with an externally applied electric force. It was found that, at a near wall skimming layer and the outer layer away from the wall, macromolecules migrating away from surface walls in viscoelastic fluids are observed. In the study, the Phan-Thien Tanner (PTT) constitutive model is utilized to characterize the viscoelastic properties of the solution. The approach is found to be valid when the EDL is much thinner than the skimming layer under an enhanced flow rate. Zhao and Yang
(87) solved the PB equation and Carreau model for the characterization of the EOF mechanism and non-Newtonian fluid respectively through the FEM. The numerical results depict that, different from the EOF of Newtonian fluids, non-Newtonian fluids led to an increase of electro-osmotic mobility for shear thinning fluids but the opposite for shear thickening fluids.Like other fluid transport driving forces, EOF within unique geometrical layouts also portrays unique transport phenomena. Pimenta and Alves
(88) utilized the FVM to perform numerical simulations of the EOF of viscoelastic fluids considering the PB equation and the Oldroyd-B model, in a cross-slot and flow-focusing microdevices. It was found that electroelastic instabilities are formed due to the development of large stresses inside the EDL with streamlined curvature at geometry corners. Bezerra et al.
(89) used the FDM to numerically analyze the vortex formation and flow instability from an electro-osmotic non-Newtonian fluid flow in a microchannel with a nozzle geometry and parallel wall geometry setting. The PNP equation is utilized to characterize the charge motion in the EOF and the PTT model for non-Newtonian flow characterization. A constriction geometry is commonly utilized in blood flow adapted in LOC systems due to the change in blood flow behavior under narrow dimensions in a microchannel. Ji et al.
(90) recently studied the EOF of viscoelastic fluid in a constriction microchannel connected by two relatively big reservoirs on both ends (as seen in Figure 5) filled with the polyacrylamide polymer solution, a viscoelastic fluid, and an incompressible monovalent binary electrolyte solution KCl.
Figure 5. Schematic diagram of a negatively charged constriction microchannel connected to two reservoirs at both ends. An electro-osmotic flow is induced in the system by the induced potential difference between the anode and cathode. (90) Reproduced with permission from ref (90). Copyright 2021 The Authors, under the terms of the Creative Commons (CC BY 4.0) License https://creativecommons.org/licenses/by/4.0/.
In studying the EOF of viscoelastic fluids, the Oldroyd-B model is often utilized to characterize the polymeric stress tensor and the deformation rate of the fluid. The Oldroyd-B model is expressed as follows:
𝜏=𝜂p𝜆(𝐜−𝐈)�=�p�(�−�)
(19)where η
p, λ, c, and I represent the polymer dynamic viscosity, polymer relaxation time, symmetric conformation tensor of the polymer molecules, and the identity matrix, respectively.A log-conformation tensor approach is taken to prevent convergence difficulty induced by the viscoelastic properties. The conformation tensor (c) in the polymeric stress tensor term is redefined by a new tensor (Θ) based on the natural logarithm of the c. The new tensor is defined as
Θ=ln(𝐜)=𝐑ln(𝚲)𝐑Θ=ln(�)=�ln(�)�
(20)in which Λ is the diagonal matrix and R is the orthogonal matrix.Under the new conformation tensor, the induced EOF of a viscoelastic fluid is governed by the continuity and N–S equations adapting the Oldroyd-B model, which is expressed as
(21)where Ω and B represent the anti-symmetric matrix and the symmetric traceless matrix of the decomposition of the velocity gradient tensor ∇u, respectively. The conformation tensor can be recovered by c = exp(Θ). The PB model and Laplace equation are utilized to characterize the charged channel wall induced potential and the externally applied potential.The governing equations are numerically solved through the FVM by RheoTool,
(42) an open-source viscoelastic EOF solver on the OpenFOAM platform. A SIMPLEC (Semi-Implicit Method for Pressure Linked Equations-Consistent) algorithm was applied to solve the velocity-pressure coupling. The pressure field and velocity field were computed by the PCG (Preconditioned Conjugate Gradient) solver and the PBiCG (Preconditioned Biconjugate Gradient) solver, respectively.Ranging magnitudes of an applied electric field or fluid concentration induce both different streamlines and velocity magnitudes at various locations and times of the microchannel. In the study performed by Ji et al.,
(90) notable fluctuation of streamlines and vortex formation is formed at the upper stream entrance of the constriction as shown in Figure 6(a) and (b), respectively, due to the increase of electrokinetic effect, which is seen as a result of the increase in polymeric stress (τ
xx).
(90) The contraction geometry enhances the EOF velocity within the constriction channel under high E
app condition (600 V/cm). Such phenomena can be attributed to the dependence of electro-osmotic viscoelastic fluid flow on the system wall surface and bulk fluid properties.
Figure 6. Schematic diagram of vortex formation and streamlines of EOF depicting flow instability at (a) 1.71 s and (b) 1.75 s. Spatial distribution of the elastic normal stress at (c) high Eapp condition. Streamline of an electro-osmotic flow under Eapp of 600 V/cm (90) for (d) non-Newtonian and (e) Newtonian fluid through a constriction geometry. Reproduced with permission from ref (90). Copyright 2021 The Authors, under the terms of the Creative Commons (CC BY 4.0) License https://creativecommons.org/licenses/by/4.0/.
As elastic normal stress exceeds the local shear stress, flow instability and vortex formation occur. The induced elastic stress under EOF not only enhances the instability of the flow but often generates an irregular secondary flow leading to strong disturbance.
(92) It is also vital to consider the effect of the constriction layout of microchannels on the alteration of the field strength within the system. The contraction geometry enhances a larger electric field strength compared with other locations of the channel outside the constriction region, resulting in a higher velocity gradient and stronger extension on the polymer within the viscoelastic solution. Following the high shear flow condition, a higher magnitude of stretch for polymer molecules in viscoelastic fluids exhibits larger elastic stresses and enhancement of vortex formation at the region.
(93)As shown in Figure 6(c), significant elastic normal stress occurs at the inlet of the constriction microchannel. Such occurrence of a polymeric flow can be attributed to the dominating elongational flow, giving rise to high deformation of the polymers within the viscoelastic fluid flow, resulting in higher elastic stress from the polymers. Such phenomena at the entrance result in the difference in velocity streamline as circled in Figure 6(d) compared to that of the Newtonian fluid at the constriction entrance in Figure 6(e).
(90) The difference between the Newtonian and polymer solution at the exit, as circled in Figure 6(d) and (e), can be attributed to the extrudate swell effect of polymers
(94) within the viscoelastic fluid flow. The extrudate swell effect illustrates that, as polymers emerge from the constriction exit, they tend to contract in the flow direction and grow in the normal direction, resulting in an extrudate diameter greater than the channel size. The deformation of polymers within the polymeric flow at both the entrance and exit of the contraction channel facilitates the change in shear stress conditions of the flow, leading to the alteration in streamlines of flows for each region.
4.3. EOF Applications in LOC Systems
4.3.1. Mixing in LOC Systems
Rather than relying on the micromixing controlled by molecular diffusion under low Reynolds number conditions, active mixers actively leverage convective instability and vortex formation induced by electro-osmotic flows from alternating current (AC) or direct current (DC) electric fields. Such adaptation is recognized as significant breakthroughs for promotion of fluid mixing in chemical and biological applications such as drug delivery, medical diagnostics, chemical synthesis, and so on.
(95)Many researchers proposed novel designs of electro-osmosis micromixers coupled with numerical simulations in conjunction with experimental findings to increase their understanding of the role of flow instability and vortex formation in the mixing process under electrokinetic phenomena. Matsubara and Narumi
(96) numerically modeled the mixing process in a microchannel with four electrodes on each side of the microchannel wall, which generated a disruption through unstable electro-osmotic vortices. It was found that particle mixing was sensitive to both the convection effect induced by the main and secondary vortex within the micromixer and the change in oscillation frequency caused by the supplied AC voltage when the Reynolds number was varied. Qaderi et al.
(97) adapted the PNP equation to numerically study the effect of the geometry and zeta potential configuration of the microchannel on the mixing process with a combined electro-osmotic pressure driven flow. It was reported that the application of heterogeneous zeta potential configuration enhances the mixing efficiency by around 23% while the height of the hurdles increases the mixing efficiency at most 48.1%. Cho et al.
(98) utilized the PB model and Laplace equation to numerically simulate the electro-osmotic non-Newtonian fluid mixing process within a wavy and block layout of microchannel walls. The Power Law model is adapted to describe the fluid rheological characteristic. It was found that shear-thinning fluids possess a higher volumetric flow rate, which could result in poorer mixing efficiency compared to that of Newtonian fluids. Numerous studies have revealed that flow instability and vortex generation, in particular secondary vortices produced by barriers or greater magnitudes of heterogeneous zeta potential distribution, enhance mixing by increasing bulk flow velocity and reducing flow distance.To better understand the mechanism of disturbance formed in the system due to externally applied forces, known as electrokinetic instability, literature often utilize the Rayleigh (Ra) number,
(22)where γ is the conductivity ratio of the two streams and can be written as
𝛾=𝜎el,H𝜎el,L�=�el,H�el,L. The Ra number characterizes the ratio between electroviscous and electro-osmotic flow. A high Ra
v value often results in good mixing. It is evident that fluid properties such as the conductivity (σ) of the two streams play a key role in the formation of disturbances to enhance mixing in microsystems. At the same time, electrokinetic parameters like the zeta potential (ζ) in the Ra number is critical in the characterization of electro-osmotic velocity and a slip boundary condition at the microchannel wall.To understand the mixing result along the channel, the concentration field can be defined and simulated under the assumption of steady state conditions and constant diffusion coefficient for each of the working fluid within the system through the convection–diffusion equation as below:
∂𝑐𝒊∂𝑡+∇⇀(𝑐𝑖𝑢⇀−𝐷𝑖∇⇀𝑐𝒊)=0∂��∂�+∇⇀(���⇀−��∇⇀��)=0
(23)where c
i is the species concentration of species i and D
i is the diffusion coefficient of the corresponding species.The standard deviation of concentration (σ
sd) can be adapted to evaluate the mixing quality of the system.
(97) The standard deviation for concentration at a specific portion of the channel may be calculated using the equation below:
m are the non-dimensional concentration profile and the mean concentration at the portion, respectively. C* is the non-dimensional concentration and can be calculated as
𝐶∗=𝐶𝐶ref�*=��ref, where C
ref is the reference concentration defined as the bulk solution concentration. The mean concentration profile can be calculated as
𝐶m=∫10(𝐶∗(𝑦∗)d𝑦∗∫10d𝑦∗�m=∫01(�*(�*)d�*∫01d�*. With the standard deviation of concentration, the mixing efficiency
sd,0 is the standard derivation of the case of no mixing. The value of the mixing efficiency is typically utilized in conjunction with the simulated flow field and concentration field to explore the effect of geometrical and electrokinetic parameters on the optimization of the mixing results.
Viscoelastic fluids such as blood flow in LOC systems are an essential topic to proceed with diagnostic analysis and research through microdevices in the biomedical and pharmaceutical industries. The complex blood flow behavior is tightly controlled by the viscoelastic characteristics of blood such as the dynamic viscosity and the elastic property of RBCs under various shear rate conditions. Furthermore, the flow behaviors under varied driving forces promote an array of microfluidic transport phenomena that are critical to the management of blood flow and other adapted viscoelastic fluids in LOC systems. This review addressed the blood flow phenomena, the complicated interplay between shear rate and blood flow behaviors, and their numerical modeling under LOC systems through the lens of the viscoelasticity characteristic. Furthermore, a theoretical understanding of capillary forces and externally applied electric forces leads to an in-depth investigation of the relationship between blood flow patterns and the key parameters of the two driving forces, the latter of which is introduced through the lens of viscoelastic fluids, coupling numerical modeling to improve the knowledge of blood flow manipulation in LOC systems. The flow disturbances triggered by the EOF of viscoelastic fluids and their impact on blood flow patterns have been deeply investigated due to their important role and applications in LOC devices. Continuous advancements of various numerical modeling methods with experimental findings through more efficient and less computationally heavy methods have served as an encouraging sign of establishing more accurate illustrations of the mechanisms for multiphase blood and other viscoelastic fluid flow transport phenomena driven by various forces. Such progress is fundamental for the manipulation of unique transport phenomena, such as the generated disturbances, to optimize functionalities offered by microdevices in LOC systems.
The following section will provide further insights into the employment of studied blood transport phenomena to improve the functionality of micro devices adapting LOC technology. A discussion of the novel roles that external driving forces play in microfluidic flow behaviors is also provided. Limitations in the computational modeling of blood flow and electrokinetic phenomena in LOC systems will also be emphasized, which may provide valuable insights for future research endeavors. These discussions aim to provide guidance and opportunities for new paths in the ongoing development of LOC devices that adapt blood flow.
5.2. Future Directions
5.2.1. Electro-osmosis Mixing in LOC Systems
Despite substantial research, mixing results through flow instability and vortex formation phenomena induced by electro-osmotic mixing still deviate from the effective mixing results offered by chaotic mixing results such as those seen in turbulent flows. However, recent discoveries of a mixing phenomenon that is generally observed under turbulent flows are found within electro-osmosis micromixers under low Reynolds number conditions. Zhao
(99) experimentally discovered a rapid mixing process in an AC applied micromixer, where the power spectrum of concentration under an applied voltage of 20 V
p-p induces a −5/3 slope within a frequency range. This value of the slope is considered as the O–C spectrum in macroflows, which is often visible under relatively high Re conditions, such as the Taylor microscale Reynolds number Re > 500 in turbulent flows.
(100) However, the Re value in the studied system is less than 1 at the specific location and applied voltage. A secondary flow is also suggested to occur close to microchannel walls, being attributed to the increase of convective instability within the system.Despite the experimental phenomenon proposed by Zhao et al.,
(99) the range of effects induced by vital parameters of an EOF mixing system on the enhanced mixing results and mechanisms of disturbance generated by the turbulent-like flow instability is not further characterized. Such a gap in knowledge may hinder the adaptability and commercialization of the discovery of micromixers. One of the parameters for further evaluation is the conductivity gradient of the fluid flow. A relatively strong conductivity gradient (5000:1) was adopted in the system due to the conductive properties of the two fluids. The high conductivity gradients may contribute to the relatively large Rayleigh number and differences in EDL layer thickness, resulting in an unusual disturbance in laminar flow conditions and enhanced mixing results. However, high conductivity gradients are not always achievable by the working fluids due to diverse fluid properties. The reliance on turbulent-like phenomena and rapid mixing results in a large conductivity gradient should be established to prevent the limited application of fluids for the mixing system. In addition, the proposed system utilizes distinct zeta potential distributions at the top and bottom walls due to their difference in material choices, which may be attributed to the flow instability phenomena. Further studies should be made on varying zeta potential magnitude and distribution to evaluate their effect on the slip boundary conditions of the flow and the large shear rate condition close to the channel wall of EOF. Such a study can potentially offer an optimized condition in zeta potential magnitude through material choices and geometrical layout of the zeta potential for better mixing results and manipulation of mixing fluid dynamics. The two vital parameters mentioned above can be varied with the aid of numerical simulation to understand the effect of parameters on the interaction between electro-osmotic forces and electroviscous forces. At the same time, the relationship of developed streamlines of the simulated velocity and concentration field, following their relationship with the mixing results, under the impact of these key parameters can foster more insight into the range of impact that the two parameters have on the proposed phenomena and the microfluidic dynamic principles of disturbances.
In addition, many of the current investigations of electrokinetic mixers commonly emphasize the fluid dynamics of mixing for Newtonian fluids, while the utilization of biofluids, primarily viscoelastic fluids such as blood, and their distinctive response under shear forces in these novel mixing processes of LOC systems are significantly less studied. To develop more compatible microdevice designs and efficient mixing outcomes for the biomedical industry, it is necessary to fill the knowledge gaps in the literature on electro-osmotic mixing for biofluids, where properties of elasticity, dynamic viscosity, and intricate relationship with shear flow from the fluid are further considered.
5.2.2. Electro-osmosis Separation in LOC Systems
Particle separation in LOC devices, particularly in biological research and diagnostics, is another area where disturbances may play a significant role in optimization.
(101) Plasma analysis in LOC systems under precise control of blood flow phenomena and blood/plasma separation procedures can detect vital information about infectious diseases from particular antibodies and foreign nucleic acids for medical treatments, diagnostics, and research,
(102) offering more efficient results and simple operating procedures compared to that of the traditional centrifugation method for blood and plasma separation. However, the adaptability of LOC devices for blood and plasma separation is often hindered by microchannel clogging, where flow velocity and plasma yield from LOC devices is reduced due to occasional RBC migration and aggregation at the filtration entrance of microdevices.
(103)It is important to note that the EOF induces flow instability close to microchannel walls, which may provide further solutions to clogging for the separation process of the LOC systems. Mohammadi et al.
(104) offered an anti-clogging effect of RBCs at the blood and plasma separating device filtration entry, adjacent to the surface wall, through RBC disaggregation under high shear rate conditions generated by a forward and reverse EOF direction.
Further theoretical and numerical research can be conducted to characterize the effect of high shear rate conditions near microchannel walls toward the detachment of binding blood cells on surfaces and the reversibility of aggregation. Through numerical modeling with varying electrokinetic parameters to induce different degrees of disturbances or shear conditions at channel walls, it may be possible to optimize and better understand the process of disrupting the forces that bind cells to surface walls and aggregated cells at filtration pores. RBCs that migrate close to microchannel walls are often attracted by the adhesion force between the RBC and the solid surface originating from the van der Waals forces. Following RBC migration and attachment by adhesive forces adjacent to the microchannel walls as shown in Figure 7, the increase in viscosity at the region causes a lower shear condition and encourages RBC aggregation (cell–cell interaction), which clogs filtering pores or microchannels and reduces flow velocity at filtration region. Both the impact that shear forces and disturbances may induce on cell binding forces with surface walls and other cells leading to aggregation may suggest further characterization. Kinetic parameters such as activation energy and the rate-determining step for cell binding composition attachment and detachment should be considered for modeling the dynamics of RBCs and blood flows under external forces in LOC separation devices.
Figure 7. Schematic representations of clogging at a microchannel pore following the sequence of RBC migration, cell attachment to channel walls, and aggregation. (105) Reproduced with permission from ref (105). Copyright 2018 The Authors under the terms of the Creative Commons (CC BY 4.0) License https://creativecommons.org/licenses/by/4.0/.
5.2.3. Relationship between External Forces and Microfluidic Systems
In blood flow, a thicker CFL suggests a lower blood viscosity, suggesting a complex relationship between shear stress and shear rate, affecting the blood viscosity and blood flow. Despite some experimental and numerical studies on electro-osmotic non-Newtonian fluid flow, limited literature has performed an in-depth investigation of the role that applied electric forces and other external forces could play in the process of CFL formation. Additional studies on how shear rates from external forces affect CFL formation and microfluidic flow dynamics can shed light on the mechanism of the contribution induced by external driving forces to the development of a separate phase of layer, similar to CFL, close to the microchannel walls and distinct from the surrounding fluid within the system, then influencing microfluidic flow dynamics.One of the mechanisms of phenomena to be explored is the formation of the Exclusion Zone (EZ) region following a “Self-Induced Flow” (SIF) phenomenon discovered by Li and Pollack,
(106) as shown in Figure 8(a) and (b), respectively. A spontaneous sustained axial flow is observed when hydrophilic materials are immersed in water, resulting in the buildup of a negative layer of charges, defined as the EZ, after water molecules absorb infrared radiation (IR) energy and break down into H and OH
+–.
Figure 8. Schematic representations of (a) the Exclusion Zone region and (b) the Self Induced Flow through visualization of microsphere movement within a microchannel. (106) Reproduced with permission from ref (106). Copyright 2020 The Authors under the terms of the Creative Commons (CC BY 4.0) License https://creativecommons.org/licenses/by/4.0/.
Despite the finding of such a phenomenon, the specific mechanism and role of IR energy have yet to be defined for the process of EZ development. To further develop an understanding of the role of IR energy in such phenomena, a feasible study may be seen through the lens of the relationships between external forces and microfluidic flow. In the phenomena, the increase of SIF velocity under a rise of IR radiation resonant characteristics is shown in the participation of the external electric field near the microchannel walls under electro-osmotic viscoelastic fluid flow systems. The buildup of negative charges at the hydrophilic surfaces in EZ is analogous to the mechanism of electrical double layer formation. Indeed, research has initiated the exploration of the core mechanisms for EZ formation through the lens of the electrokinetic phenomena.
(107) Such a similarity of the role of IR energy and the transport phenomena of SIF with electrokinetic phenomena paves the way for the definition of the unknown SIF phenomena and EZ formation. Furthermore, Li and Pollack
(106) suggest whether CFL formation might contribute to a SIF of blood using solely IR radiation, a commonly available source of energy in nature, as an external driving force. The proposition may be proven feasible with the presence of the CFL region next to the negatively charged hydrophilic endothelial glycocalyx layer, coating the luminal side of blood vessels.
(108) Further research can dive into the resonating characteristics between the formation of the CFL region next to the hydrophilic endothelial glycocalyx layer and that of the EZ formation close to hydrophilic microchannel walls. Indeed, an increase in IR energy is known to rapidly accelerate EZ formation and SIF velocity, depicting similarity to the increase in the magnitude of electric field forces and greater shear rates at microchannel walls affecting CFL formation and EOF velocity. Such correlation depicts a future direction in whether SIF blood flow can be observed and characterized theoretically further through the lens of the relationship between blood flow and shear forces exhibited by external energy.
The intricate link between the CFL and external forces, more specifically the externally applied electric field, can receive further attention to provide a more complete framework for the mechanisms between IR radiation and EZ formation. Such characterization may also contribute to a greater comprehension of the role IR can play in CFL formation next to the endothelial glycocalyx layer as well as its role as a driving force to propel blood flow, similar to the SIF, but without the commonly assumed pressure force from heart contraction as a source of driving force.
5.3. Challenges
Although there have been significant improvements in blood flow modeling under LOC systems over the past decade, there are still notable constraints that may require special attention for numerical simulation applications to benefit the adaptability of the designs and functionalities of LOC devices. Several points that require special attention are mentioned below:
1.
The majority of CFD models operate under the relationship between the viscoelasticity of blood and the shear rate conditions of flow. The relative effect exhibited by the presence of highly populated RBCs in whole blood and their forces amongst the cells themselves under complex flows often remains unclearly defined. Furthermore, the full range of cell populations in whole blood requires a much more computational load for numerical modeling. Therefore, a vital goal for future research is to evaluate a reduced modeling method where the impact of cell–cell interaction on the viscoelastic property of blood is considered.
2.
Current computational methods on hemodynamics rely on continuum models based upon non-Newtonian rheology at the macroscale rather than at molecular and cellular levels. Careful considerations should be made for the development of a constructive framework for the physical and temporal scales of micro/nanoscale systems to evaluate the intricate relationship between fluid driving forces, dynamic viscosity, and elasticity.
3.
Viscoelastic fluids under the impact of externally applied electric forces often deviate from the assumptions of no-slip boundary conditions due to the unique flow conditions induced by externally applied forces. Furthermore, the mechanism of vortex formation and viscoelastic flow instability at laminar flow conditions should be better defined through the lens of the microfluidic flow phenomenon to optimize the prediction of viscoelastic flow across different geometrical layouts. Mathematical models and numerical methods are needed to better predict such disturbance caused by external forces and the viscoelasticity of fluids at such a small scale.
4.
Under practical situations, zeta potential distribution at channel walls frequently deviates from the common assumption of a constant distribution because of manufacturing faults or inherent surface charges prior to the introduction of electrokinetic influence. These discrepancies frequently lead to inconsistent surface potential distribution, such as excess positive ions at relatively more negatively charged walls. Accordingly, unpredicted vortex formation and flow instability may occur. Therefore, careful consideration should be given to these discrepancies and how they could trigger the transport process and unexpected results of a microdevice.
Zhe Chen – Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, P. R. China; Email: zaccooky@sjtu.edu.cn
Bo Ouyang – Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, P. R. China; Email: bouy93@sjtu.edu.cn
Zheng-Hong Luo – Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, P. R. China; https://orcid.org/0000-0001-9011-6020; Email: luozh@sjtu.edu.cn
Authors
Bin-Jie Lai – Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, P. R. China; https://orcid.org/0009-0002-8133-5381
Li-Tao Zhu – Department of Chemical Engineering, School of Chemistry and Chemical Engineering, State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, Shanghai 200240, P. R. China; https://orcid.org/0000-0001-6514-8864
NotesThe authors declare no competing financial interest.
This work was supported by the National Natural Science Foundation of China (No. 22238005) and the Postdoctoral Research Foundation of China (No. GZC20231576).
the field of technological and scientific study that investigates fluid flow in channels with dimensions between 1 and 1000 μm
Lab-on-a-Chip Technology
the field of research and technological development aimed at integrating the micro/nanofluidic characteristics to conduct laboratory processes on handheld devices
Computational Fluid Dynamics (CFD)
the method utilizing computational abilities to predict physical fluid flow behaviors mathematically through solving the governing equations of corresponding fluid flows
Shear Rate
the rate of change in velocity where one layer of fluid moves past the adjacent layer
Viscoelasticity
the property holding both elasticity and viscosity characteristics relying on the magnitude of applied shear stress and time-dependent strain
Electro-osmosis
the flow of fluid under an applied electric field when charged solid surface is in contact with the bulk fluid
Vortex
the rotating motion of a fluid revolving an axis line
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금속 적층 제조 중 고체 상 변형 예측: Inconel-738의 전자빔 분말층 융합에 대한 사례 연구
Nana Kwabena Adomako a, Nima Haghdadi a, James F.L. Dingle bc, Ernst Kozeschnik d, Xiaozhou Liao bc, Simon P. Ringer bc, Sophie Primig a
Abstract
Metal additive manufacturing (AM) has now become the perhaps most desirable technique for producing complex shaped engineering parts. However, to truly take advantage of its capabilities, advanced control of AM microstructures and properties is required, and this is often enabled via modeling. The current work presents a computational modeling approach to studying the solid-state phase transformation kinetics and the microstructural evolution during AM. Our approach combines thermal and thermo-kinetic modelling. A semi-analytical heat transfer model is employed to simulate the thermal history throughout AM builds. Thermal profiles of individual layers are then used as input for the MatCalc thermo-kinetic software. The microstructural evolution (e.g., fractions, morphology, and composition of individual phases) for any region of interest throughout the build is predicted by MatCalc. The simulation is applied to an IN738 part produced by electron beam powder bed fusion to provide insights into how γ′ precipitates evolve during thermal cycling. Our simulations show qualitative agreement with our experimental results in predicting the size distribution of γ′ along the build height, its multimodal size character, as well as the volume fraction of MC carbides. Our findings indicate that our method is suitable for a range of AM processes and alloys, to predict and engineer their microstructures and properties.
Additive manufacturing (AM) is an advanced manufacturing method that enables engineering parts with intricate shapes to be fabricated with high efficiency and minimal materials waste. AM involves building up 3D components layer-by-layer from feedstocks such as powder [1]. Various alloys, including steel, Ti, Al, and Ni-based superalloys, have been produced using different AM techniques. These techniques include directed energy deposition (DED), electron- and laser powder bed fusion (E-PBF and L-PBF), and have found applications in a variety of industries such as aerospace and power generation[2], [3], [4]. Despite the growing interest, certain challenges limit broader applications of AM fabricated components in these industries and others. One of such limitations is obtaining a suitable and reproducible microstructure that offers the desired mechanical properties consistently. In fact, the AM as-built microstructure is highly complex and considerably distinctive from its conventionally processed counterparts owing to the complicated thermal cycles arising from the deposition of several layers upon each other [5], [6].
Several studies have reported that the solid-state phases and solidification microstructure of AM processed alloys such as CMSX-4, CoCr [7], [8], Ti-6Al-4V [9], [10], [11], IN738[6], 304L stainless steel[12], and IN718 [13], [14] exhibit considerable variations along the build direction. For instance, references [9], [10] have reported that there is a variation in the distribution of α and β phases along the build direction in Ti-alloys. Similarly, the microstructure of an L-PBF fabricated martensitic steel exhibits variations in the fraction of martensite [15]. Furthermore, some of the present authors and others [6], [16], [17], [18], [19], [20] have recently reviewed and reported that there is a difference in the morphology and fraction of nanoscale precipitates as a function of build height in Ni-based superalloys. These non-uniformities in the as-built microstructure result in an undesired heterogeneity in mechanical and other important properties such as corrosion and oxidation[19], [21], [22], [23]. To obtain the desired microstructure and properties, additional processing treatments are utilized, but this incurs extra costs and may lead to precipitation of detrimental phases and grain coarsening. Therefore, a through-process understanding of the microstructure evolution under repeated heating and cooling is now needed to further advance 3D printed microstructure and property control.
It is now commonly understood that the microstructure evolution during printing is complex, and most AM studies concentrate on the microstructure and mechanical properties of the final build only. Post-printing studies of microstructure characteristics at room temperature miss crucial information on how they evolve. In-situ measurements and modelling approaches are required to better understand the complex microstructural evolution under repeated heating and cooling. Most in-situ measurements in AM focus on monitoring the microstructural changes, such as phase transformations and melt pool dynamics during fabrication using X-ray scattering and high-speed X-ray imaging [24], [25], [26], [27]. For example, Zhao et al. [25] measured the rate of solidification and described the α/β phase transformation during L-PBF of Ti-6Al-4V in-situ. Also, Wahlmann et al. [21] recently used an L-PBF machine coupled with X-ray scattering to investigate the changes in CMSX-4 phase during successive melting processes. Although these techniques provide significant understanding of the basic principles of AM, they are not widely accessible. This is due to the great cost of the instrument, competitive application process, and complexities in terms of the experimental set-up, data collection, and analysis [26], [28].
Computational modeling techniques are promising and more widely accessible tools that enable advanced understanding, prediction, and engineering of microstructures and properties during AM. So far, the majority of computational studies have concentrated on physics based process models for metal AM, with the goal of predicting the temperature profile, heat transfer, powder dynamics, and defect formation (e.g., porosity) [29], [30]. In recent times, there have been efforts in modeling of the AM microstructure evolution using approaches such as phase-field [31], Monte Carlo (MC) [32], and cellular automata (CA) [33], coupled with finite element simulations for temperature profiles. However, these techniques are often restricted to simulating the evolution of solidification microstructures (e.g., grain and dendrite structure) and defects (e.g., porosity). For example, Zinovieva et al. [33] predicted the grain structure of L-PBF Ti-6Al-4V using finite difference and cellular automata methods. However, studies on the computational modelling of the solid-state phase transformations, which largely determine the resulting properties, remain limited. This can be attributed to the multi-component and multi-phase nature of most engineering alloys in AM, along with the complex transformation kinetics during thermal cycling. This kind of research involves predictions of the thermal cycle in AM builds, and connecting it to essential thermodynamic and kinetic data as inputs for the model. Based on the information provided, the thermokinetic model predicts the history of solid-state phase microstructure evolution during deposition as output. For example, a multi-phase, multi-component mean-field model has been developed to simulate the intermetallic precipitation kinetics in IN718 [34] and IN625 [35] during AM. Also, Basoalto et al. [36] employed a computational framework to examine the contrasting distributions of process-induced microvoids and precipitates in two Ni-based superalloys, namely IN718 and CM247LC. Furthermore, McNamara et al. [37] established a computational model based on the Johnson-Mehl-Avrami model for non-isothermal conditions to predict solid-state phase transformation kinetics in L-PBF IN718 and DED Ti-6Al-4V. These models successfully predicted the size and volume fraction of individual phases and captured the repeated nucleation and dissolution of precipitates that occur during AM.
In the current study, we propose a modeling approach with appreciably short computational time to investigate the detailed microstructural evolution during metal AM. This may include obtaining more detailed information on the morphologies of phases, such as size distribution, phase fraction, dissolution and nucleation kinetics, as well as chemistry during thermal cycling and final cooling to room temperature. We utilize the combination of the MatCalc thermo-kinetic simulator and a semi-analytical heat conduction model. MatCalc is a software suite for simulation of phase transformations, microstructure evolution and certain mechanical properties in engineering alloys. It has successfully been employed to simulate solid-state phase transformations in Ni-based superalloys [38], [39], steels [40], and Al alloys[41] during complex thermo-mechanical processes. MatCalc uses the classical nucleation theory as well as the so-called Svoboda-Fischer-Fratzl-Kozeschnik (SFFK) growth model as the basis for simulating precipitation kinetics [42]. Although MatCalc was originally developed for conventional thermo-mechanical processes, we will show that it is also applicable for AM if the detailed time-temperature profile of the AM build is known. The semi-analytical heat transfer code developed by Stump and Plotkowski [43] is used to simulate these profile throughout the AM build.
1.1. Application to IN738
Inconel-738 (IN738) is a precipitation hardening Ni-based superalloy mainly employed in high-temperature components, e.g. in gas turbines and aero-engines owing to its exceptional mechanical properties at temperatures up to 980 °C, coupled with high resistance to oxidation and corrosion [44]. Its superior high-temperature strength (∼1090 MPa tensile strength) is provided by the L12 ordered Ni3(Al,Ti) γ′ phase that precipitates in a face-centered cubic (FCC) γ matrix [45], [46]. Despite offering great properties, IN738, like most superalloys with high γ′ fractions, is challenging to process owing to its propensity to hot cracking [47], [48]. Further, machining of such alloys is challenging because of their high strength and work-hardening rates. It is therefore difficult to fabricate complex INC738 parts using traditional manufacturing techniques like casting, welding, and forging.
The emergence of AM has now made it possible to fabricate such parts from IN738 and other superalloys. Some of the current authors’ recent research successfully applied E-PBF to fabricate defect-free IN738 containing γ′ throughout the build [16], [17]. The precipitated γ′ were heterogeneously distributed. In particular, Haghdadi et al. [16] studied the origin of the multimodal size distribution of γ′, while Lim et al. [17] investigated the gradient in γ′ character with build height and its correlation to mechanical properties. Based on these results, the present study aims to extend the understanding of the complex and site-specific microstructural evolution in E-PBF IN738 by using a computational modelling approach. New experimental evidence (e.g., micrographs not published previously) is presented here to support the computational results.
2. Materials and Methods
2.1. Materials preparation
IN738 Ni-based superalloy (59.61Ni-8.48Co-7.00Al-17.47Cr-3.96Ti-1.01Mo-0.81W-0.56Ta-0.49Nb-0.47C-0.09Zr-0.05B, at%) gas-atomized powder was used as feedstock. The powders, with average size of 60 ± 7 µm, were manufactured by Praxair and distributed by Astro Alloys Inc. An Arcam Q10 machine by GE Additive with an acceleration voltage of 60 kV was used to fabricate a 15 × 15 × 25 mm3 block (XYZ, Z: build direction) on a 316 stainless steel substrate. The block was 3D-printed using a ‘random’ spot melt pattern. The random spot melt pattern involves randomly selecting points in any given layer, with an equal chance of each point being melted. Each spot melt experienced a dwell time of 0.3 ms, and the layer thickness was 50 µm. Some of the current authors have previously characterized the microstructure of the very same and similar builds in more detail [16], [17]. A preheat temperature of ∼1000 °C was set and kept during printing to reduce temperature gradients and, in turn, thermal stresses [49], [50], [51]. Following printing, the build was separated from the substrate through electrical discharge machining. It should be noted that this sample was simultaneously printed with the one used in [17] during the same build process and on the same build plate, under identical conditions.
2.2. Microstructural characterization
The printed sample was longitudinally cut in the direction of the build using a Struers Accutom-50, ground, and then polished to 0.25 µm suspension via standard techniques. The polished x-z surface was electropolished and etched using Struers A2 solution (perchloric acid in ethanol). Specimens for image analysis were polished using a 0.06 µm colloidal silica. Microstructure analyses were carried out across the height of the build using optical microscopy (OM) and scanning electron microscopy (SEM) with focus on the microstructure evolution (γ′ precipitates) in individual layers. The position of each layer being analyzed was determined by multiplying the layer number by the layer thickness (50 µm). It should be noted that the position of the first layer starts where the thermal profile is tracked (in this case, 2 mm from the bottom). SEM images were acquired using a JEOL 7001 field emission microscope. The brightness and contrast settings, acceleration voltage of 15 kV, working distance of 10 mm, and other SEM imaging parameters were all held constant for analysis of the entire build. The ImageJ software was used for automated image analysis to determine the phase fraction and size of γ′ precipitates and carbides. A 2-pixel radius Gaussian blur, following a greyscale thresholding and watershed segmentation was used [52]. Primary γ′ sizes (>50 nm), were measured using equivalent spherical diameters. The phase fractions were considered equal to the measured area fraction. Secondary γ′ particles (<50 nm) were not considered here. The γ′ size in the following refers to the diameter of a precipitate.
2.3. Hardness testing
A Struers DuraScan tester was utilized for Vickers hardness mapping on a polished x-z surface, from top to bottom under a maximum load of 100 mN and 10 s dwell time. 30 micro-indentations were performed per row. According to the ASTM standard [53], the indentations were sufficiently distant (∼500 µm) to assure that strain-hardened areas did not interfere with one another.
2.4. Computational simulation of E-PBF IN738 build
2.4.1. Thermal profile modeling
The thermal history was generated using the semi-analytical heat transfer code (also known as the 3DThesis code) developed by Stump and Plotkowski [43]. This code is an open-source C++ program which provides a way to quickly simulate the conductive heat transfer found in welding and AM. The key use case for the code is the simulation of larger domains than is practicable with Computational Fluid Dynamics/Finite Element Analysis programs like FLOW-3D AM. Although simulating conductive heat transfer will not be an appropriate simplification for some investigations (for example the modelling of keyholding or pore formation), the 3DThesis code does provide fast estimates of temperature, thermal gradient, and solidification rate which can be useful for elucidating microstructure formation across entire layers of an AM build. The mathematics involved in the code is as follows:
In transient thermal conduction during welding and AM, with uniform and constant thermophysical properties and without considering fluid convection and latent heat effects, energy conservation can be expressed as:(1)��∂�∂�=�∇2�+�̇where � is density, � specific heat, � temperature, � time, � thermal conductivity, and �̇ a volumetric heat source. By assuming a semi-infinite domain, Eq. 1 can be analytically solved. The solution for temperature at a given time (t) using a volumetric Gaussian heat source is presented as:(2)��,�,�,�−�0=33�����32∫0�1������exp−3�′�′2��+�′�′2��+�′�′2����′(3)and��=12��−�′+��2for�=�,�,�(4)and�′�′=�−���′Where � is the vector �,�,� and �� is the location of the heat source.
The numerical integration scheme used is an adaptive Gaussian quadrature method based on the following nondimensionalization:(5)�=��xy2�,�′=��xy2�′,�=��xy,�=��xy,�=��xy,�=���xy
A more detailed explanation of the mathematics can be found in reference [43].
The main source of the thermal cycling present within a powder-bed fusion process is the fusion of subsequent layers. Therefore, regions near the top of a build are expected to undergo fewer thermal cycles than those closer to the bottom. For this purpose, data from the single scan’s thermal influence on multiple layers was spliced to represent the thermal cycles experienced at a single location caused by multiple subsequent layers being fused.
The cross-sectional area simulated by this model was kept constant at 1 × 1 mm2, and the depth was dependent on the build location modelled with MatCalc. For a build location 2 mm from the bottom, the maximum number of layers to simulate is 460. Fig. 1a shows a stitched overview OM image of the entire build indicating the region where this thermal cycle is simulated and tracked. To increase similarity with the conditions of the physical build, each thermal history was constructed from the results of two simulations generated with different versions of a random scan path. The parameters used for these thermal simulations can be found in Table 1. It should be noted that the main purpose of the thermal profile modelling was to demonstrate how the conditions at different locations of the build change relative to each other. Accurately predicting the absolute temperature during the build would require validation via a temperature sensor measurement during the build process which is beyond the scope of the study. Nonetheless, to establish the viability of the heat source as a suitable approximation for this study, an additional sensitivity analysis was conducted. This analysis focused on the influence of energy input on γ′ precipitation behavior, the central aim of this paper. This was achieved by employing varying beam absorption energies (0.76, 0.82 – the values utilized in the simulation, and 0.9). The direct impact of beam absorption efficiency on energy input into the material was investigated. Specifically, the initial 20 layers of the build were simulated and subsequently compared to experimental data derived from SEM. While phase fractions were found to be consistent across all conditions, disparities emerged in the mean size of γ′ precipitates. An absorption efficiency of 0.76 yielded a mean size of approximately 70 nm. Conversely, absorption efficiencies of 0.82 and 0.9 exhibited remarkably similar mean sizes of around 130 nm, aligning closely with the outcomes of the experiments.
The numerical analyses of the evolution of precipitates was performed using MatCalc version 6.04 (rel 0.011). The thermodynamic (‘mc_ni.tdb’, version 2.034) and diffusion (‘mc_ni.ddb’, version 2.007) databases were used. MatCalc’s basic principles are elaborated as follows:
The nucleation kinetics of precipitates are computed using a computational technique based on a classical nucleation theory[54] that has been modified for systems with multiple components [42], [55]. Accordingly, the transient nucleation rate (�), which expresses the rate at which nuclei are formed per unit volume and time, is calculated as:(6)�=�0��*∙�xp−�*�∙�∙exp−��where �0 denotes the number of active nucleation sites, �* the rate of atomic attachment, � the Boltzmann constant, � the temperature, �* the critical energy for nucleus formation, τ the incubation time, and t the time. � (Zeldovich factor) takes into consideration that thermal excitation destabilizes the nucleus as opposed to its inactive state [54]. Z is defined as follows:(7)�=−12�kT∂2∆�∂�2�*12where ∆� is the overall change in free energy due to the formation of a nucleus and n is the nucleus’ number of atoms. ∆�’s derivative is evaluated at n* (critical nucleus size). �* accounts for the long-range diffusion of atoms required for nucleation, provided that the matrix’ and precipitates’ composition differ. Svoboda et al. [42] developed an appropriate multi-component equation for �*, which is given by:(8)�*=4��*2�4�∑�=1��ki−�0�2�0��0�−1where �* denotes the critical radius for nucleation, � represents atomic distance, and � is the molar volume. �ki and �0� represent the concentration of elements in the precipitate and matrix, respectively. The parameter �0� denotes the rate of diffusion of the ith element within the matrix. The expression for the incubation time � is expressed as [54]:(9)�=12�*�2
and �*, which represents the critical energy for nucleation:(10)�*=16�3�3∆�vol2where � is the interfacial energy, and ∆Gvol the change in the volume free energy. The critical nucleus’ composition is similar to the γ′ phase’s equilibrium composition at the same temperature. � is computed based on the precipitate and matrix compositions, using a generalized nearest neighbor broken bond model, with the assumption of interfaces being planar, sharp, and coherent [56], [57], [58].
In Eq. 7, it is worth noting that �* represents the fundamental variable in the nucleation theory. It contains �3/∆�vol2 and is in the exponent of the nucleation rate. Therefore, even small variations in γ and/or ∆�vol can result in notable changes in �, especially if �* is in the order of �∙�. This is demonstrated in [38] for UDIMET 720 Li during continuous cooling, where these quantities change steadily during precipitation due to their dependence on matrix’ and precipitate’s temperature and composition. In the current work, these changes will be even more significant as the system is exposed to multiple cycles of rapid cooling and heating.
Once nucleated, the growth of a precipitate is assessed using the radius and composition evolution equations developed by Svoboda et al. [42] with a mean-field method that employs the thermodynamic extremal principle. The expression for the total Gibbs free energy of a thermodynamic system G, which consists of n components and m precipitates, is given as follows:(11)�=∑���0��0�+∑�=1�4���33��+∑�=1��ki�ki+∑�=1�4���2��.
The chemical potential of component � in the matrix is denoted as �0�(�=1,…,�), while the chemical potential of component � in the precipitate is represented by �ki(�=1,…,�,�=1,…,�). These chemical potentials are defined as functions of the concentrations �ki(�=1,…,�,�=1,…,�). The interface energy density is denoted as �, and �� incorporates the effects of elastic energy and plastic work resulting from the volume change of each precipitate.
Eq. (12) establishes that the total free energy of the system in its current state relies on the independent state variables: the sizes (radii) of the precipitates �� and the concentrations of each component �ki. The remaining variables can be determined by applying the law of mass conservation to each component �. This can be represented by the equation:(12)��=�0�+∑�=1�4���33�ki,
Furthermore, the global mass conservation can be expressed by equation:(13)�=∑�=1���When a thermodynamic system transitions to a more stable state, the energy difference between the initial and final stages is dissipated. This model considers three distinct forms of dissipation effects [42]. These include dissipations caused by the movement of interfaces, diffusion within the precipitate and diffusion within the matrix.
Consequently, �̇� (growth rate) and �̇ki (chemical composition’s rate of change) of the precipitate with index � are derived from the linear system of equation system:(14)�ij��=��where �� symbolizes the rates �̇� and �̇ki [42]. Index i contains variables for precipitate radius, chemical composition, and stoichiometric boundary conditions suggested by the precipitate’s crystal structure. Eq. (10) is computed separately for every precipitate �. For a more detailed description of the formulae for the coefficients �ij and �� employed in this work please refer to [59].
The MatCalc software was used to perform the numerical time integration of �̇� and �̇ki of precipitates based on the classical numerical method by Kampmann and Wagner [60]. Detailed information on this method can be found in [61]. Using this computational method, calculations for E-PBF thermal cycles (cyclic heating and cooling) were computed and compared to experimental data. The simulation took approximately 2–4 hrs to complete on a standard laptop.
3. Results
3.1. Microstructure
Fig. 1 displays a stitched overview image and selected SEM micrographs of various γ′ morphologies and carbides after observations of the X-Z surface of the build from the top to 2 mm above the bottom. Fig. 2 depicts a graph that charts the average size and phase fraction of the primary γ′, as it changes with distance from the top to the bottom of the build. The SEM micrographs show widespread primary γ′ precipitation throughout the entire build, with the size increasing in the top to bottom direction. Particularly, at the topmost height, representing the 460th layer (Z = 22.95 mm), as seen in Fig. 1b, the average size of γ′ is 110 ± 4 nm, exhibiting spherical shapes. This is representative of the microstructure after it solidifies and cools to room temperature, without experiencing additional thermal cycles. The γ′ size slightly increases to 147 ± 6 nm below this layer and remains constant until 0.4 mm (∼453rd layer) from the top. At this position, the microstructure still closely resembles that of the 460th layer. After the 453rd layer, the γ′ size grows rapidly to ∼503 ± 19 nm until reaching the 437th layer (1.2 mm from top). The γ′ particles here have a cuboidal shape, and a small fraction is coarser than 600 nm. γ′ continue to grow steadily from this position to the bottom (23 mm from the top). A small fraction of γ′ is > 800 nm.
Besides primary γ′, secondary γ′ with sizes ranging from 5 to 50 nm were also found. These secondary γ′ precipitates, as seen in Fig. 1f, were present only in the bottom and middle regions. A detailed analysis of the multimodal size distribution of γ′ can be found in [16]. There is no significant variation in the phase fraction of the γ′ along the build. The phase fraction is ∼ 52%, as displayed in Fig. 2. It is worth mentioning that the total phase fraction of γ′ was estimated based on the primary γ′ phase fraction because of the small size of secondary γ′. Spherical MC carbides with sizes ranging from 50 to 400 nm and a phase fraction of 0.8% were also observed throughout the build. The carbides are the light grey precipitates in Fig. 1g. The light grey shade of carbides in the SEM images is due to their composition and crystal structure [52]. These carbides are not visible in Fig. 1b-e because they were dissolved during electro-etching carried out after electropolishing. In Fig. 1g, however, the sample was examined directly after electropolishing, without electro-etching.
Table 2 shows the nominal and measured composition of γ′ precipitates throughout the build by atom probe microscopy as determined in our previous study [17]. No build height-dependent composition difference was observed in either of the γ′ precipitate populations. However, there was a slight disparity between the composition of primary and secondary γ′. Among the main γ′ forming elements, the primary γ′ has a high Ti concentration while secondary γ′ has a high Al concentration. A detailed description of the atom distribution maps and the proxigrams of the constituent elements of γ′ throughout the build can be found in [17].
Table 2. Bulk IN738 composition determined using inductively coupled plasma atomic emission spectroscopy (ICP-AES). Compositions of γ, primary γ′, and secondary γ′ at various locations in the build measured by APT. This information is reproduced from data in Ref. [17] with permission.
at%
Ni
Cr
Co
Al
Mo
W
Ti
Nb
C
B
Zr
Ta
Others
Bulk
59.12
17.47
8.48
7.00
1.01
0.81
3.96
0.49
0.47
0.05
0.09
0.56
0.46
γ matrix
Top
50.48
32.91
11.59
1.94
1.39
0.82
0.44
0.8
0.03
0.03
0.02
–
0.24
Mid
50.37
32.61
11.93
1.79
1.54
0.89
0.44
0.1
0.03
0.02
0.02
0.01
0.23
Bot
48.10
34.57
12.08
2.14
1.43
0.88
0.48
0.08
0.04
0.03
0.01
–
0.12
Primary γ′
Top
72.17
2.51
3.44
12.71
0.25
0.39
7.78
0.56
–
0.03
0.02
0.05
0.08
Mid
71.60
2.57
3.28
13.55
0.42
0.68
7.04
0.73
–
0.01
0.03
0.04
0.04
Bot
72.34
2.47
3.86
12.50
0.26
0.44
7.46
0.50
0.05
0.02
0.02
0.03
0.04
Secondary γ′
Mid
70.42
4.20
3.23
14.19
0.63
1.03
5.34
0.79
0.03
–
0.04
0.04
0.05
Bot
69.91
4.06
3.68
14.32
0.81
1.04
5.22
0.65
0.05
–
0.10
0.02
0.11
3.2. Hardness
Fig. 3a shows the Vickers hardness mapping performed along the entire X-Z surface, while Fig. 3b shows the plot of average hardness at different build heights. This hardness distribution is consistent with the γ′ precipitate size gradient across the build direction in Fig. 1, Fig. 2. The maximum hardness of ∼530 HV1 is found at ∼0.5 mm away from the top surface (Z = 22.5), where γ′ particles exhibit the smallest observed size in Fig. 2b. Further down the build (∼ 2 mm from the top), the hardness drops to the 440–490 HV1 range. This represents the region where γ′ begins to coarsen. The hardness drops further to 380–430 HV1 at the bottom of the build.
3.3. Modeling of the microstructural evolution during E-PBF
3.3.1. Thermal profile modeling
Fig. 4 shows the simulated thermal profile of the E-PBF build at a location of 23 mm from the top of the build, using a semi-analytical heat conduction model. This profile consists of the time taken to deposit 460 layers until final cooling, as shown in Fig. 4a. Fig. 4b-d show the magnified regions of Fig. 4a and reveal the first 20 layers from the top, a single layer (first layer from the top), and the time taken for the build to cool after the last layer deposition, respectively.
The peak temperatures experienced by previous layers decrease progressively as the number of layers increases but never fall below the build preheat temperature (1000 °C). Our simulated thermal cycle may not completely capture the complexity of the actual thermal cycle utilized in the E-PBF build. For instance, the top layer (Fig. 4c), also representing the first deposit’s thermal profile without additional cycles (from powder heating, melting, to solidification), recorded the highest peak temperature of 1390 °C. Although this temperature is above the melting range of the alloy (1230–1360 °C) [62], we believe a much higher temperature was produced by the electron beam to melt the powder. Nevertheless, the solidification temperature and dynamics are outside the scope of this study as our focus is on the solid-state phase transformations during deposition. It takes ∼25 s for each layer to be deposited and cooled to the build temperature. The interlayer dwell time is 125 s. The time taken for the build to cool to room temperature (RT) after final layer deposition is ∼4.7 hrs (17,000 s).
3.3.2. MatCalc simulation
During the MatCalc simulation, the matrix phase is defined as γ. γ′, and MC carbide are included as possible precipitates. The domain of these precipitates is set to be the matrix (γ), and nucleation is assumed to be homogenous. In homogeneous nucleation, all atoms of the unit volume are assumed to be potential nucleation sites. Table 3 shows the computational parameters used in the simulation. All other parameters were set at default values as recommended in the version 6.04.0011 of MatCalc. The values for the interfacial energies are automatically calculated according to the generalized nearest neighbor broken bond model and is one of the most outstanding features in MatCalc [56], [57], [58]. It should be noted that the elastic misfit strain was not included in the calculation. The output of MatCalc includes phase fraction, size, nucleation rate, and composition of the precipitates. The phase fraction in MatCalc is the volume fraction. Although the experimental phase fraction is the measured area fraction, it is relatively similar to the volume fraction. This is because of the generally larger precipitate size and similar morphology at the various locations along the build [63]. A reliable phase fraction comparison between experiment and simulation can therefore be made.
Table 3. Computational parameters used in the simulation.
γ′ = 0.080–0.140 J/m2 and MC carbide = 0.410–0.430 J/m2
3.3.2.1. Precipitate phase fraction
Fig. 5a shows the simulated phase fraction of γ′ and MC carbide during thermal cycling. Fig. 5b is a magnified view of 5a showing the simulated phase fraction at the center points of the top 70 layers, whereas Fig. 5c corresponds to the first two layers from the top. As mentioned earlier, the top layer (460th layer) represents the microstructure after solidification. The microstructure of the layers below is determined by the number of thermal cycles, which increases with distance to the top. For example, layers 459, 458, 457, up to layer 1 (region of interest) experience 1, 2, 3 and 459 thermal cycles, respectively. In the top layer in Fig. 5c, the volume fraction of γ′ and carbides increases with temperature. For γ′, it decreases to zero when the temperature is above the solvus temperature after a few seconds. Carbides, however, remain constant in their volume fraction reaching equilibrium (phase fraction ∼ 0.9%) in a short time. The topmost layer can be compared to the first deposit, and the peak in temperature symbolizes the stage where the electron beam heats the powder until melting. This means γ′ and carbide precipitation might have started in the powder particles during heating from the build temperature and electron beam until the onset of melting, where γ′ dissolves, but carbides remain stable [28].
During cooling after deposition, γ′ reprecipitates at a temperature of 1085 °C, which is below its solvus temperature. As cooling progresses, the phase fraction increases steadily to ∼27% and remains constant at 1000 °C (elevated build temperature). The calculated equilibrium fraction of phases by MatCalc is used to show the complex precipitation characteristics in this alloy. Fig. 6 shows that MC carbides form during solidification at 1320 °C, followed by γ′, which precipitate when the solidified layer cools to 1140 °C. This indicates that all deposited layers might contain a negligible amount of these precipitates before subsequent layer deposition, while being at the 1000 °C build temperature or during cooling to RT. The phase diagram also shows that the equilibrium fraction of the γ′ increases as temperature decreases. For instance, at 1000, 900, and 800 °C, the phase fractions are ∼30%, 38%, and 42%, respectively.
Deposition of subsequent layers causes previous layers to undergo phase transformations as they are exposed to several thermal cycles with different peak temperatures. In Fig. 5c, as the subsequent layer is being deposited, γ′ in the previous layer (459th layer) begins to dissolve as the temperature crosses the solvus temperature. This is witnessed by the reduction of the γ′ phase fraction. This graph also shows how this phase dissolves during heating. However, the phase fraction of MC carbide remains stable at high temperatures and no dissolution is seen during thermal cycling. Upon cooling, the γ′ that was dissolved during heating reprecipitates with a surge in the phase fraction until 1000 °C, after which it remains constant. This microstructure is similar to the solidification microstructure (layer 460), with a similar γ′ phase fraction (∼27%).
The complete dissolution and reprecipitation of γ′ continue for several cycles until the 50th layer from the top (layer 411), where the phase fraction does not reach zero during heating to the peak temperature (see Fig. 5d). This indicates the ‘partial’ dissolution of γ′, which continues progressively with additional layers. It should be noted that the peak temperatures for layers that underwent complete dissolution were much higher (1170–1300 °C) than the γ′ solvus.
The dissolution and reprecipitation of γ′ during thermal cycling are further confirmed in Fig. 7, which summarizes the nucleation rate, phase fraction, and concentration of major elements that form γ′ in the matrix. Fig. 7b magnifies a single layer (3rd layer from top) within the full dissolution region in Fig. 7a to help identify the nucleation and growth mechanisms. From Fig. 7b, γ′ nucleation begins during cooling whereby the nucleation rate increases to reach a maximum value of approximately 1 × 1020 m−3s−1. This fast kinetics implies that some rearrangement of atoms is required for γ′ precipitates to form in the matrix [65], [66]. The matrix at this stage is in a non-equilibrium condition. Its composition is similar to the nominal composition and remains unchanged. The phase fraction remains insignificant at this stage although nucleation has started. The nucleation rate starts declining upon reaching the peak value. Simultaneously, diffusion-controlled growth of existing nuclei occurs, depleting the matrix of γ′ forming elements (Al and Ti). Thus, from (7), (11), ∆�vol continuously decreases until nucleation ceases. The growth of nuclei is witnessed by the increase in phase fraction until a constant level is reached at 27% upon cooling to and holding at build temperature. This nucleation event is repeated several times.
At the onset of partial dissolution, the nucleation rate jumps to 1 × 1021 m−3s−1, and then reduces sharply at the middle stage of partial dissolution. The nucleation rate reaches 0 at a later stage. Supplementary Fig. S1 shows a magnified view of the nucleation rate, phase fraction, and thermal profile, underpinning this trend. The jump in nucleation rate at the onset is followed by a progressive reduction in the solute content of the matrix. The peak temperatures (∼1130–1160 °C) are lower than those in complete dissolution regions but still above or close to the γ′ solvus. The maximum phase fraction (∼27%) is similar to that of the complete dissolution regions. At the middle stage, the reduction in nucleation rate is accompanied by a sharp drop in the matrix composition. The γ′ fraction drops to ∼24%, where the peak temperatures of the layers are just below or at γ′ solvus. The phase fraction then increases progressively through the later stage of partial dissolution to ∼30% towards the end of thermal cycling. The matrix solute content continues to drop although no nucleation event is seen. The peak temperatures are then far below the γ′ solvus. It should be noted that the matrix concentration after complete dissolution remains constant. Upon cooling to RT after final layer deposition, the nucleation rate increases again, indicating new nucleation events. The phase fraction reaches ∼40%, with a further depletion of the matrix in major γ′ forming elements.
3.3.2.2. γ′ size distribution
Fig. 8 shows histograms of the γ′ precipitate size distributions (PSD) along the build height during deposition. These PSDs are predicted at the end of each layer of interest just before final cooling to room temperature, to separate the role of thermal cycles from final cooling on the evolution of γ′. The PSD for the top layer (layer 460) is shown in Fig. 8a (last solidified region with solidification microstructure). The γ′ size ranges from 120 to 230 nm and is similar to the 44 layers below (2.2 mm from the top).
Further down the build, γ′ begins to coarsen after layer 417 (44th layer from top). Fig. 8c shows the PSD after the 44th layer, where the γ′ size exhibits two peaks at ∼120–230 and ∼300 nm, with most of the population being in the former range. This is the onset of partial dissolution where simultaneously with the reprecipitation and growth of fresh γ′, the undissolved γ′ grows rapidly through diffusive transport of atoms to the precipitates. This is shown in Fig. 8c, where the precipitate class sizes between 250 and 350 represent the growth of undissolved γ′. Although this continues in the 416th layer, the phase fractions plot indicates that the onset of partial dissolution begins after the 411th layer. This implies that partial dissolution started early, but the fraction of undissolved γ′ was too low to impact the phase fraction. The reprecipitated γ′ are mostly in the 100–220 nm class range and similar to those observed during full dissolution.
As the number of layers increases, coarsening intensifies with continued growth of more undissolved γ′, and reprecipitation and growth of partially dissolved ones. Fig. 8d, e, and f show this sequence. Further down the build, coarsening progresses rapidly, as shown in Figs. 8d, 8e, and 8f. The γ′ size ranges from 120 to 1100 nm, with the peaks at 160, 180, and 220 nm in Figs. 8d, 8e, and 8f, respectively. Coarsening continues until nucleation ends during dissolution, where only the already formed γ′ precipitates continue to grow during further thermal cycling. The γ′ size at this point is much larger, as observed in layers 361 and 261, and continues to increase steadily towards the bottom (layer 1). Two populations in the ranges of ∼380–700 and ∼750–1100 nm, respectively, can be seen. The steady growth of γ′ towards the bottom is confirmed by the gradual decrease in the concentration of solute elements in the matrix (Fig. 7a). It should be noted that for each layer, the γ′ class with the largest size originates from continuous growth of the earliest set of the undissolved precipitates.
Fig. 9, Fig. 10 and supplementary Figs. S2 and S3 show the γ′ size evolution during heating and cooling of a single layer in the full dissolution region, and early, middle stages, and later stages of partial dissolution, respectively. In all, the size of γ′ reduces during layer heating. Depending on the peak temperature of the layer which varies with build height, γ′ are either fully or partially dissolved as mentioned earlier. Upon cooling, the dissolved γ′ reprecipitate.
In Fig. 9, those layers that underwent complete dissolution (top layers) were held above γ′ solvus temperature for longer. In Fig. 10, layers at the early stage of partial dissolution spend less time in the γ′ solvus temperature region during heating, leading to incomplete dissolution. In such conditions, smaller precipitates are fully dissolved while larger ones shrink [67]. Layers in the middle stages of partial dissolution have peak temperatures just below or at γ′ solvus, not sufficient to achieve significant γ′ dissolution. As seen in supplementary Fig. S2, only a few smaller γ′ are dissolved back into the matrix during heating, i.e., growth of precipitates is more significant than dissolution. This explains the sharp decrease in concentration of Al and Ti in the matrix in this layer.
The previous sections indicate various phenomena such as an increase in phase fraction, further depletion of matrix composition, and new nucleation bursts during cooling. Analysis of the PSD after the final cooling of the build to room temperature allows a direct comparison to post-printing microstructural characterization. Fig. 11 shows the γ′ size distribution of layer 1 (460th layer from the top) after final cooling to room temperature. Precipitation of secondary γ′ is observed, leading to the multimodal size distribution of secondary and primary γ′. The secondary γ′ size falls within the 10–80 nm range. As expected, a further growth of the existing primary γ′ is also observed during cooling.
3.3.2.3. γ′ chemistry after deposition
Fig. 12 shows the concentration of the major elements that form γ′ (Al, Ti, and Ni) in the primary and secondary γ′ at the bottom of the build, as calculated by MatCalc. The secondary γ′ has a higher Al content (13.5–14.5 at% Al), compared to 13 at% Al in the primary γ′. Additionally, within the secondary γ′, the smallest particles (∼10 nm) have higher Al contents than larger ones (∼70 nm). In contrast, for the primary γ′, there is no significant variation in the Al content as a function of their size. The Ni concentration in secondary γ′ (71.1–72 at%) is also higher in comparison to the primary γ′ (70 at%). The smallest secondary γ′ (∼10 nm) have higher Ni contents than larger ones (∼70 nm), whereas there is no substantial change in the Ni content of primary γ′, based on their size. As expected, Ti shows an opposite size-dependent variation. It ranges from ∼ 7.7–8.7 at% Ti in secondary γ′ to ∼9.2 at% in primary γ′. Similarly, within the secondary γ′, the smallest (∼10 nm) have lower Al contents than the larger ones (∼70 nm). No significant variation is observed for Ti content in primary γ′.
4. Discussion
A combined modelling method is utilized to study the microstructural evolution during E-PBF of IN738. The presented results are discussed by examining the precipitation and dissolution mechanism of γ′ during thermal cycling. This is followed by a discussion on the phase fraction and size evolution of γ′ during thermal cycling and after final cooling. A brief discussion on carbide morphology is also made. Finally, a comparison is made between the simulation and experimental results to assess their agreement.
4.1. γ′ morphology as a function of build height
4.1.1. Nucleation of γ′
The fast precipitation kinetics of the γ′ phase enables formation of γ′ upon quenching from higher temperatures (above solvus) during thermal cycling [66]. In Fig. 7b, for a single layer in the full dissolution region, during cooling, the initial increase in nucleation rate signifies the first formation of nuclei. The slight increase in nucleation rate during partial dissolution, despite a decrease in the concentration of γ′ forming elements, may be explained by the nucleation kinetics. During partial dissolution and as the precipitates shrink, it is assumed that the regions at the vicinity of partially dissolved precipitates are enriched in γ′ forming elements [68], [69]. This differs from the full dissolution region, in which case the chemical composition is evenly distributed in the matrix. Several authors have attributed the solute supersaturation of the matrix around primary γ′ to partial dissolution during isothermal ageing [69], [70], [71], [72]. The enhanced supersaturation in the regions close to the precipitates results in a much higher driving force for nucleation, leading to a higher nucleation rate upon cooling. This phenomenon can be closely related to the several nucleation bursts upon continuous cooling of Ni-based superalloys, where second nucleation bursts exhibit higher nucleation rates [38], [68], [73], [74].
At middle stages of partial dissolution, the reduction in the nucleation rate indicates that the existing composition and low supersaturation did not trigger nucleation as the matrix was closer to the equilibrium state. The end of a nucleation burst means that the supersaturation of Al and Ti has reached a low level, incapable of providing sufficient driving force during cooling to or holding at 1000 °C for further nucleation [73]. Earlier studies on Ni-based superalloys have reported the same phenomenon during ageing or continuous cooling from the solvus temperature to RT [38], [73], [74].
4.1.2. Dissolution of γ′ during thermal cycling
γ′ dissolution kinetics during heating are fast when compared to nucleation due to exponential increase in phase transformation and diffusion activities with temperature [65]. As shown in Fig. 9, Fig. 10, and supplementary Figs. S2 and S3, the reduction in γ′ phase fraction and size during heating indicates γ′ dissolution. This is also revealed in Fig. 5 where phase fraction decreases upon heating. The extent of γ′ dissolution mostly depends on the temperature, time spent above γ′ solvus, and precipitate size[75], [76], [77]. Smaller γ′ precipitates are first to be dissolved [67], [77], [78]. This is mainly because more solute elements need to be transported away from large γ′ precipitates than from smaller ones [79]. Also, a high temperature above γ′ solvus temperature leads to a faster dissolution rate[80]. The equilibrium solvus temperature of γ′ in IN738 in our MatCalc simulation (Fig. 6) and as reported by Ojo et al. [47] is 1140 °C and 1130–1180 °C, respectively. This means the peak temperature experienced by previous layers decreases progressively from γ′ supersolvus to subsolvus, near-solvus, and far from solvus as the number of subsequent layers increases. Based on the above, it can be inferred that the degree of dissolution of γ′ contributes to the gradient in precipitate distribution.
Although the peak temperatures during later stages of partial dissolution are much lower than the equilibrium γ′ solvus, γ′ dissolution still occurs but at a significantly lower rate (supplementary Fig. S3). Wahlmann et al. [28] also reported a similar case where they observed the rapid dissolution of γ′ in CMSX-4 during fast heating and cooling cycles at temperatures below the γ′ solvus. They attributed this to the γ′ phase transformation process taking place in conditions far from the equilibrium. While the same reasoning may be valid for our study, we further believe that the greater surface area to volume ratio of the small γ′ precipitates contributed to this. This ratio means a larger area is available for solute atoms to diffuse into the matrix even at temperatures much below the solvus [81].
4.2. γ′ phase fraction and size evolution
4.2.1. During thermal cycling
In the first layer, the steep increase in γ′ phase fraction during heating (Fig. 5), which also represents γ′ precipitation in the powder before melting, has qualitatively been validated in [28]. The maximum phase fraction of 27% during the first few layers of thermal cycling indicates that IN738 theoretically could reach the equilibrium state (∼30%), but the short interlayer time at the build temperature counteracts this. The drop in phase fraction at middle stages of partial dissolution is due to the low number of γ′ nucleation sites [73]. It has been reported that a reduction of γ′ nucleation sites leads to a delay in obtaining the final volume fraction as more time is required for γ′ precipitates to grow and reach equilibrium [82]. This explains why even upon holding for 150 s before subsequent layer deposition, the phase fraction does not increase to those values that were observed in the previous full γ′ dissolution regions. Towards the end of deposition, the increase in phase fraction to the equilibrium value of 30% is as a result of the longer holding at build temperature or close to it [83].
During thermal cycling, γ′ particles begin to grow immediately after they first precipitate upon cooling. This is reflected in the rapid increase in phase fraction and size during cooling in Fig. 5 and supplementary Fig. S2, respectively. The rapid growth is due to the fast diffusion of solute elements at high temperatures [84]. The similar size of γ′ for the first 44 layers from the top can be attributed to the fact that all layers underwent complete dissolution and hence, experienced the same nucleation event and growth during deposition. This corresponds with the findings by Balikci et al. [85], who reported that the degree of γ′ precipitation in IN738LC does not change when a solution heat treatment is conducted above a certain critical temperature.
The increase in coarsening rate (Fig. 8) during thermal cycling can first be ascribed to the high peak temperature of the layers [86]. The coarsening rate of γ′ is known to increase rapidly with temperature due to the exponential growth of diffusion activity. Also, the simultaneous dissolution with coarsening could be another reason for the high coarsening rate, as γ′ coarsening is a diffusion-driven process where large particles grow by consuming smaller ones [78], [84], [86], [87]. The steady growth of γ′ towards the bottom of the build is due to the much lower layer peak temperature, which is almost close to the build temperature, and reduced dissolution activity, as is seen in the much lower solute concentration in γ′ compared to those in the full and partial dissolution regions.
4.2.2. During cooling
The much higher phase fraction of ∼40% upon cooling signifies the tendency of γ′ to reach equilibrium at lower temperatures (Fig. 4). This is due to the precipitation of secondary γ′ and a further increase in the size of existing primary γ′, which leads to a multimodal size distribution of γ′ after cooling [38], [73], [88], [89], [90]. The reason for secondary γ′ formation during cooling is as follows: As cooling progresses, it becomes increasingly challenging to redistribute solute elements in the matrix owing to their lower mobility [38], [73]. A higher supersaturation level in regions away from or free of the existing γ′ precipitates is achieved, making them suitable sites for additional nucleation bursts. More cooling leads to the growth of these secondary γ′ precipitates, but as the temperature and in turn, the solute diffusivity is low, growth remains slow.
4.3. Carbides
MC carbides in IN738 are known to have a significant impact on the high-temperature strength. They can also act as effective hardening particles and improve the creep resistance [91]. Precipitation of MC carbides in IN738 and several other superalloys is known to occur during solidification or thermal treatments (e.g., hot isostatic pressing) [92]. In our case, this means that the MC carbides within the E-PBF build formed because of the thermal exposure from the E-PBF thermal cycle in addition to initial solidification. Our simulation confirms this as MC carbides appear during layer heating (Fig. 5). The constant and stable phase fraction of MC carbides during thermal cycling can be attributed to their high melting point (∼1360 °C) and the short holding time at peak temperatures [75], [93], [94]. The solvus temperature for most MC carbides exceeds most of the peak temperatures observed in our simulation, and carbide dissolution kinetics at temperatures above the solvus are known to be comparably slow [95]. The stable phase fraction and random distribution of MC carbides signifies the slight influence on the gradient in hardness.
4.4. Comparison of simulations and experiments
4.4.1. Precipitate phase fraction and morphology as a function of build height
A qualitative agreement is observed for the phase fraction of carbides, i.e. ∼0.8% in the experiment and ∼0.9% in the simulation. The phase fraction of γ′ differs, with the experiment reporting a value of ∼51% and the simulation, 40%. Despite this, the size distribution of primary γ′ along the build shows remarkable consistency between experimental and computational analyses. It is worth noting that the primary γ′ morphology in the experimental analysis is observed in the as-fabricated state, whereas the simulation (Fig. 8) captures it during deposition process. The primary γ′ size in the experiment is expected to experience additional growth during the cooling phase. Regardless, both show similar trends in primary γ′ size increments from the top to the bottom of the build. The larger primary γ’ size in the simulation versus the experiment can be attributed to the fact that experimental and simulation results are based on 2D and 3D data, respectively. The absence of stereological considerations [96] in our analysis could have led to an underestimation of the precipitate sizes from SEM measurements. The early starts of coarsening (8th layer) in the experiment compared to the simulation (45th layer) can be attributed to a higher actual γ′ solvus temperature than considered in our simulation [47]. The solvus temperature of γ′ in a Ni-based superalloy is mainly determined by the detailed composition. A high amount of Cr and Co are known to reduce the solvus temperature, whereas Ta and Mo will increase it [97], [98], [99]. The elemental composition from our experimental work was used for the simulation except for Ta. It should be noted that Ta is not included in the thermodynamic database in MatCalc used, and this may have reduced the solvus temperature. This could also explain the relatively higher γ′ phase fraction in the experiment than in simulation, as a higher γ′ solvus temperature will cause more γ′ to precipitate and grow early during cooling [99], [100].
Another possible cause of this deviation can be attributed to the extent of γ′ dissolution, which is mainly determined by the peak temperature. It can be speculated that individual peak temperatures at different layers in the simulation may have been over-predicted. However, one needs to consider that the true thermal profile is likely more complicated in the actual E-PBF process [101]. For example, the current model assumes that the thermophysical properties of the material are temperature-independent, which is not realistic. Many materials, including IN738, exhibit temperature-dependent properties such as thermal conductivity, specific heat capacity, and density [102]. This means that heat transfer simulations may underestimate or overestimate the temperature gradients and cooling rates within the powder bed and the solidified part. Additionally, the model does not account for the reduced thermal diffusivity through unmelted powder, where gas separating the powder acts as insulation, impeding the heat flow [1]. In E-PBF, the unmelted powder regions with trapped gas have lower thermal diffusivity compared to the fully melted regions, leading to localized temperature variations, and altered solidification behavior. These limitations can impact the predictions, particularly in relation to the carbide dissolution, as the peak temperatures may be underestimated.
While acknowledging these limitations, it is worth emphasizing that achieving a detailed and accurate representation of each layer’s heat source would impose tough computational challenges. Given the substantial layer count in E-PBF, our decision to employ a semi-analytical approximation strikes a balance between computational feasibility and the capture of essential trends in thermal profiles across diverse build layers. In future work, a dual-calibration strategy is proposed to further reduce simulation-experiment disparities. By refining temperature-independent thermophysical property approximations and absorptivity in the heat source model, and by optimizing interfacial energy descriptions in the kinetic model, the predictive precision could be enhanced. Further refining the simulation controls, such as adjusting the precipitate class size may enhance quantitative comparisons between modeling outcomes and experimental data in future work.
4.4.2. Multimodal size distribution of γ′ and concentration
Another interesting feature that sees qualitative agreement between the simulation and the experiment is the multimodal size distribution of γ′. The formation of secondary γ′ particles in the experiment and most E-PBF Ni-based superalloys is suggested to occur at low temperatures, during final cooling to RT [16], [73], [90]. However, so far, this conclusion has been based on findings from various continuous cooling experiments, as the study of the evolution during AM would require an in-situ approach. Our simulation unambiguously confirms this in an AM context by providing evidence for secondary γ′ precipitation during slow cooling to RT. Additionally, it is possible to speculate that the chemical segregation occurring during solidification, due to the preferential partitioning of certain elements between the solid and liquid phases, can contribute to the multimodal size distribution during deposition [51]. This is because chemical segregation can result in variations in the local composition of superalloys, which subsequently affects the nucleation and growth of γ′. Regions with higher concentrations of alloying elements will encourage the formation of larger γ′ particles, while regions with lower concentrations may favor the nucleation of smaller precipitates. However, it is important to acknowledge that the elevated temperature during the E-PBF process will largely homogenize these compositional differences [103], [104].
A good correlation is also shown in the composition of major γ′ forming elements (Al and Ti) in primary and secondary γ′. Both experiment and simulation show an increasing trend for Al content and a decreasing trend for Ti content from primary to secondary γ′. The slight composition differences between primary and secondary γ′ particles are due to the different diffusivity of γ′ stabilizers at different thermal conditions [105], [106]. As the formation of multimodal γ′ particles with different sizes occurs over a broad temperature range, the phase chemistry of γ′ will be highly size dependent. The changes in the chemistry of various γ′ (primary, secondary, and tertiary) have received significant attention since they have a direct influence on the performance [68], [105], [107], [108], [109]. Chen et al. [108], [109], reported a high Al content in the smallest γ′ precipitates compared to the largest, while Ti showed an opposite trend during continuous cooling in a RR1000 Ni-based superalloy. This was attributed to the temperature and cooling rate at which the γ′ precipitates were formed. The smallest precipitates formed last, at the lowest temperature and cooling rate. A comparable observation is evident in the present investigation, where the secondary γ′ forms at a low temperature and cooling rate in comparison to the primary. The temperature dependence of γ′ chemical composition is further evidenced in supplementary Fig. S4, which shows the equilibrium chemical composition of γ′ as a function of temperature.
5. Conclusions
A correlative modelling approach capable of predicting solid-state phase transformations kinetics in metal AM was developed. This approach involves computational simulations with a semi-analytical heat transfer model and the MatCalc thermo-kinetic software. The method was used to predict the phase transformation kinetics and detailed morphology and chemistry of γ′ and MC during E-PBF of IN738 Ni-based superalloy. The main conclusions are:
1.The computational simulations are in qualitative agreement with the experimental observations. This is particularly true for the γ′ size distribution along the build height, the multimodal size distribution of particles, and the phase fraction of MC carbides.
2.The deviations between simulation and experiment in terms of γ′ phase fraction and location in the build are most likely attributed to a higher γ′ solvus temperature during the experiment than in the simulation, which is argued to be related to the absence of Ta in the MatCalc database.
3.The dissolution and precipitation of γ′ occur fast and under non-equilibrium conditions. The level of γ′ dissolution determines the gradient in γ′ size distribution along the build. After thermal cycling, the final cooling to room temperature has further significant impacts on the final γ′ size, morphology, and distribution.
4.A negligible amount of γ′ forms in the first deposited layer before subsequent layer deposition, and a small amount of γ′ may also form in the powder induced by the 1000 °C elevated build temperature before melting.
Our findings confirm the suitability of MatCalc to predict the microstructural evolution at various positions throughout a build in a Ni-based superalloy during E-PBF. It also showcases the suitability of a tool which was originally developed for traditional thermo-mechanical processing of alloys to the new additive manufacturing context. Our simulation capabilities are likely extendable to other alloy systems that undergo solid-state phase transformations implemented in MatCalc (various steels, Ni-based superalloys, and Al-alloys amongst others) as well as other AM processes such as L-DED and L-PBF which have different thermal cycle characteristics. New tools to predict the microstructural evolution and properties during metal AM are important as they provide new insights into the complexities of AM. This will enable control and design of AM microstructures towards advanced materials properties and performances.
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Acknowledgements
This research was sponsored by the Department of Industry, Innovation, and Science under the auspices of the AUSMURI program – which is a part of the Commonwealth’s Next Generation Technologies Fund. The authors acknowledge the facilities and the scientific and technical assistance at the Electron Microscope Unit (EMU) within the Mark Wainwright Analytical Centre (MWAC) at UNSW Sydney and Microscopy Australia. Nana Adomako is supported by a UNSW Scientia PhD scholarship. Michael Haines’ (UNSW Sydney) contribution to the revised version of the original manuscript is thankfully acknowledged.
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액체-증기 상 변화 모델은 밀폐된 용기의 자체 가압 프로세스 시뮬레이션에 매우 큰 영향을 미칩니다. Hertz-Knudsen 관계, 에너지 점프 모델 및 그 파생물과 같은 널리 사용되는 액체-증기 상 변화 모델은 실온 유체를 기반으로 개발되었습니다. 액체-증기 전이를 통한 극저온 시뮬레이션에 널리 적용되었지만 각 모델의 성능은 극저온 조건에서 명시적으로 조사 및 비교되지 않았습니다. 본 연구에서는 171가지 일반적인 액체-증기 상 변화 모델을 통합한 통합 다상 솔버가 제안되었으며, 이를 통해 이러한 모델을 실험 데이터와 직접 비교할 수 있습니다. 증발 및 응축 모델의 예측 정확도와 계산 속도를 평가하기 위해 총 <>개의 자체 가압 시뮬레이션이 수행되었습니다. 압력 예측은 최적화 전략이 서로 다른 모델 계수에 크게 의존하는 것으로 나타났습니다. 에너지 점프 모델은 극저온 자체 가압 시뮬레이션에 적합하지 않은 것으로 나타났습니다. 평균 편차와 CPU 소비량에 따르면 Lee 모델과 Tanasawa 모델은 다른 모델보다 안정적이고 효율적인 것으로 입증되었습니다.
Liquid-vapor phase change models vitally influence the simulation of self-pressurization processes in closed containers. Popular liquid-vapor phase change models, such as the Hertz-Knudsen relation, energy jump model, and their derivations were developed based on room-temperature fluids. Although they had widely been applied in cryogenic simulations with liquid-vapor transitions, the performance of each model was not explicitly investigated and compared yet under cryogenic conditions. A unified multi-phase solver incorporating four typical liquid-vapor phase change models has been proposed in the present study, which enables direct comparison among those models against experimental data. A total number of 171 self-pressurization simulations were conducted to evaluate the evaporation and condensation models’ prediction accuracy and calculation speed. It was found that the pressure prediction highly depended on the model coefficients, whose optimization strategies differed from each other. The energy jump model was found inadequate for cryogenic self-pressurization simulations. According to the average deviation and CPU consumption, the Lee model and the Tanasawa model were proven to be more stable and more efficient than the others.
Introduction
The liquid-vapor phase change of cryogenic fluids is widely involved in industrial applications, such as the hydrogen transport vehicles [1], shipborne liquid natural gas (LNG) containers [2] and on-orbit cryogenic propellant tanks [3]. These applications require cryogenic fluids to be stored for weeks to months. Although high-performance insulation measures are adopted, heat inevitably enters the tank via radiation and conduction. The self-pressurization in the tank induced by the heat leakage eventually causes the venting loss of the cryogenic fluids and threatens the safety of the craft in long-term missions. To reduce the boil-off loss and extend the cryogenic storage duration, a more comprehensive understanding of the self-pressurization mechanism is needed.
Due to the difficulties and limitations in implementing cryogenic experiments, numerical modeling is a convenient and powerful way to study the self-pressurization process of cryogenic fluids. However, how the phase change models influence the mass and heat transfer under cryogenic conditions is still unsettled [4]. As concluded by Persad and Ward [5], a seemingly slight variation in the liquid-vapor phase change models can lead to erroneous predictions.
Among the liquid-vapor phase change models, the kinetic theory gas (KTG) based models and the energy jump model are the most popular ones used in recent self-pressurization simulations [6]. The KTG based models, also known as the Hertz-Knudsen relation models, were developed on the concept of the Maxwell-Boltzmann distribution of the gas molecular [7]. The Hertz-Knudsen relation has evolved to several models, including the Schrage model [8], the Tanasawa model [9], the Lee model [10] and the statistical rate theory (SRT) [11], which will be described in Section 2.2. Since the Schrage model and the Lee model are embedded and configured as the default ones in the commercial CFD solvers Flow-3D® and Ansys Fluent® respectively, they have been widely used in self-pressurization simulations for liquid nitrogen [12], [13] and liquid hydrogen [14], [15]. The major drawback of the KTG models lies in the difficulty of selecting model coefficients, which were reported in a considerably wide range spanning three magnitudes even for the same working fluid [16], [17], [18], [19], [20], [21]. Studies showed that the liquid level, pressure and mass transfer rate are directly influenced by the model coefficients [16], [22], [23], [24], [25]. Wrong coefficients will lead to deviation or even divergence of the results. The energy jump model is also known as the thermal limitation model. It assumes that the evaporation and condensation at the liquid-vapor interface are induced only by heat conduction. The model is widely adopted in lumped node simulations due to its simplicity [6], [26], [27]. To improve the accuracy of mass flux prediction, the energy jump model was modified by including the convection heat transfer [28], [29]. However, the convection correlations are empirical and developed mainly for room-temperature fluids. Whether the correlation itself can be precisely applied in cryogenic simulations still needs further investigation.
Fig. 1 summarizes the cryogenic simulations involving the modeling of evaporation and condensation processes in recent years. The publication has been increasing rapidly. However, the characteristics of each evaporation and condensation model are not explicitly revealed when simulating self-pressurization. A comparative study of the phase change models is highly needed for cryogenic fluids for a better simulation of the self-pressurization processes.
In the present paper, a unified multi-phase solver incorporating four typical liquid-vapor phase change models, namely the Tanasawa model, the Lee model, the energy jump model, and the modified energy jump model has been proposed, which enables direct comparison among different models. The models are used to simulate the pressure and temperature evolutions in an experimental liquid nitrogen tank in normal gravity, which helps to evaluate themselves in the aspects of accuracy, calculation speed and robustness.
Section snippets
Governing equations for the self-pressurization tank
In the present study, both the fluid domain and the solid wall of the tank are modeled and discretized. The heat transportation at the solid boundaries is considered to be irrelevant with the nearby fluid velocity. Consequently, two sets of the solid and the fluid governing equations can be decoupled and solved separately. The pressures in the cryogenic container are usually from 100 kPa to 300 kPa. Under these conditions, the Knudsen number is far smaller than 0.01, and the fluids are
Self-pressurization results and phase change model comparison
This section compares the simulation results by different phase change models. Section 3.1 compares the pressure and temperature outputs from two KTG based models, namely the Lee model and the Tanasawa model. Section 3.2 presents the pressure predictions from the energy transport models, namely the energy jump model and the modified energy jump model, and compares pressure prediction performances between the KTG based models and the energy transport models. Section 3.3 evaluates the four models
Conclusion
A unified vapor-liquid-solid multi-phase numerical solver has been accomplished for the self pressurization simulation in cryogenic containers. Compared to the early fluid-only solver, the temperature prediction in the vicinity of the tank wall improves significantly. Four liquid-vapor phase change models were integrated into the solver, which enables fair and effective comparison for performances between each other. The pressure and temperature prediction accuracies, and the calculation speed
Authors declare that they have no financial and personal relationships with other people or organizations that can inappropriately influence our work, there is no professional or other personal interest of any nature or kind in any product, service and/or company that could be construed as influencing the position presented in, or the review of, the manuscript entitled, “Validity evaluation of popular liquid-vapor phase change models for cryogenic self-pressurization process”.
Acknowledgement
This project is supported by the National Natural Science Foundation of China (No. 51936006).
Progress in physical modelling and numerical simulation of phase transitions in cryogenic pool boiling and cavitation2023, Applied Mathematical ModellingCitation Excerpt :We will not delve into cryogenic evaporation phenomena, that predominantly drive the phase-change in well-insulated storage facilities, and thus are less relevant to spill scenarios. We instead refer the reader to the works of Zuo et al. [31–33]. If the static pressure at any location in a turbomachine drops below a fluid’s saturation pressure, localized evaporation events may occur, followed by rapid collapse of the vapour cavities in a process termed “cavitation” [34].Show abstract
Thermodynamic performance in a liquid oxygen tank during active-pressurization under different gas injection temperatures2023, International Communications in Heat and Mass TransferCitation Excerpt :The volume of fluid method is adopted to predict the tank pressurization performance. The associated governing equations could refer to previous published investigations [33–39,41,45,46]. Subjected to external heat input and gas injection, the phase change occurs at the interface and within the tank.Show abstract
Interfacial mass and energy transport during steady-state evaporation in liquid oxygen storage tanks2022, Applied EnergyCitation Excerpt :However, most of them simply used the Lee model for mass transport as did for regular fluids, and seldom focus on the evaporation itself related to the interfacial temperature distribution or were unable to validate their results against credible experimental data. A recent study proposed an optimized evaporation model for the cryogenic self-pressurization with a thorough comparison between popular phase change models [8], but still lacked of experimental data to validate the results. A series of experiments have been conducted on the heat and mass transport in a thin liquid layer in the vicinity of the liquid–vapor interface of room-temperature fluids [9–14].Show abstract
Thermal destratification of cryogenic liquid storage tanks by continuous bubbling of gases2022, International Journal of Hydrogen EnergyCitation Excerpt :It was concluded that a single injector with a larger diameter configuration showed a higher chance of developing a vertical temperature gradient. Zuo et al. [48] carried out a numerical analysis to investigate the temperature distribution within the LH2 storage tank with a self-pinning spraying bar. They used the SST turbulence model coupled with the 6-DOF model.Show abstract
Thermo-fluid modeling of influence of attenuated laser beam intensity profile on melt pool behavior in laser-assisted powder-based direct energy deposition
Mohammad Sattari, Amin Ebrahimi, Martin Luckabauer, Gert-willem R.B.E. Römer
A numerical framework based on computational fluid dynamics (CFD), using the finite volume method (FVM) and volume of fluid (VOF) technique is presented to investigate the effect of the laser beam intensity profile on melt pool behavior in laser-assisted powder-based directed energy deposition (L-DED). L-DED is an additive manufacturing (AM) process that utilizes a laser beam to fuse metal powder particles. To assure high-fidelity modeling, it was found that it is crucial to accurately model the interaction between the powder stream and the laser beam in the gas region above the substrate. The proposed model considers various phenomena including laser energy attenuation and absorption, multiple reflections of the laser rays, powder particle stream, particle-fluid interaction, temperature-dependent properties, buoyancy effects, thermal expansion, solidification shrinkage and drag, and Marangoni flow. The latter is induced by temperature and element-dependent surface tension. The model is validated using experimental results and highlights the importance of considering laser energy attenuation. Furthermore, the study investigates how the laser beam intensity profile affects melt pool size and shape, influencing the solidification microstructure and mechanical properties of the deposited material. The proposed model has the potential to optimize the L-DED process for a variety of materials and provides insights into the capability of numerical modeling for additive manufacturing optimization.
As a highly efficient thick plate welding resolution, narrow gap gas tungsten arc welding (NG-GTAW) is in the face of a series of problems like inter-layer defects like pores, lack of fusion, inclusion of impurity, and the sensitivity to poor sidewall fusion, which is hard to be repaired after the welding process. This study employs numerical simulation to investigate the molten pool behavior in NG-GTAW root welding. A 3D numerical model was established, where a body-fitted coordinate system was applied to simulate the electromagnetic force, and a bridge transition model was developed to investigate the wire–feed root welding. The simulated results were validated experimentally. Results show that the molten pool behavior is dominated by electromagnetic force when the welding current is relatively high, and the dynamic change of the vortex actually determines the molten pool morphology. For self-fusion welding, there are two symmetric inward vortices in the cross-section and one clockwise vortex in the longitudinal section. With the increasing welding current, the vortices in the cross-section gradually move to the arc center with a decreasing range, while the vortex in the longitudinal section moves backward. With the increasing traveling speed, the vortices in the cross-section move toward the surface of the molten pool with a decreasing range, and the horizontal component of liquid metal velocity changes in the longitudinal section. For wire–feed welding, the filling metal strengthens the downward velocity component; as a result, the vortex formation is blocked in the cross-section and is strengthened in the longitudinal section.
The raw/processed data required cannot be shared at this time as the data also forms part of an ongoing study.
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The hydrodynamics of coral reefs strongly influences their biological functioning, impacting processes such as nutrient availability and uptake, recruitment success and bleaching. For example, coral reefs located in oligotrophic regions depend on upwelling for nutrient supply. Coral reefs at Sodwana Bay, located on the east coast of South Africa, are an example of high latitude marginal reefs. These reefs are subjected to complex hydrodynamic forcings due to the interaction between the strong Agulhas current and the highly variable topography of the region. In this study, we explore the reef scale hydrodynamics resulting from the bathymetry for two steady current scenarios at Two-Mile Reef (TMR) using a combination of field data and numerical simulations. The influence of tides or waves was not considered for this study as well as reef-scale roughness. Tilt current meters with onboard temperature sensors were deployed at selected locations within TMR. We used field observations to identify the dominant flow conditions on the reef for numerical simulations that focused on the hydrodynamics driven by mean currents. During the field campaign, southerly currents were the predominant flow feature with occasional flow reversals to the north. Northerly currents were associated with greater variability towards the southern end of TMR. Numerical simulations showed that Jesser Point was central to the development of flow features for both the northerly and southerly current scenarios. High current variability in the south of TMR during reverse currents is related to the formation of Kelvin-Helmholtz type shear instabilities along the outer edge of an eddy formed north of Jesser Point. Furthermore, downward vertical velocities were computed along the offshore shelf at TMR during southerly currents. Current reversals caused a change in vertical velocities to an upward direction due to the orientation of the bathymetry relative to flow directions.
Highlights
A predominant southerly current was measured at Two-Mile Reef with occasional reversals towards the north.
Field observations indicated that northerly currents are spatially varied along Two-Mile Reef.
Simulation of reverse currents show the formation of a separated flow due to interaction with Jesser Point with Kelvin–Helmholtz type shear instabilities along the seaward edge.
지금까지 Sodwana Bay에서 자세한 암초 규모 유체 역학을 모델링하려는 시도는 없었습니다. 이러한 모델의 결과는 규모가 있는 산호초 사이의 흐름이 산호초 건강에 어떤 영향을 미치는지 탐색하는 데 사용할 수 있습니다. 이 연구에서는 Sodwana Bay의 유체역학을 탐색하는 데 사용할 수 있는 LES 모델을 개발하기 위한 단계별 접근 방식을 구현합니다. 여기서 우리는 이 초기 단계에서 파도와 조수의 영향을 배제하면서 Agulhas 해류의 유체역학에 초점을 맞춥니다. 이 접근법은 흐름의 첫 번째 LES를 제시하고 Sodwana Bay의 산호초에서 혼합함으로써 향후 연구의 기초를 제공합니다.
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Analyses of Cryogenic Propellant Tank Pressurization based upon Experiments and Numerical Simulations Carina Ludwig? and Michael Dreyer** *DLR – German Aerospace Center, Space Launcher Systems Analysis (SART), Institute of Space Systems, 28359 Bremen, Germany, Carina.Ludwig@dlr.de **ZARM – Center for Applied Space Technology and Microgravity, University of Bremen, 28359 Bremen, Germany
Abstract
본 연구에서는 발사대 적용을 위한 극저온 추진제 탱크의 능동 가압을 분석하였다. 따라서 지상 실험, 수치 시뮬레이션 및 분석 연구를 수행하여 다음과 같은 중요한 결과를 얻었습니다.
필요한 가압 기체 질량을 최소화하기 위해 더 높은 가압 기체 온도가 유리하거나 헬륨을 가압 기체로 적용하는 것이 좋습니다.
Flow-3D를 사용한 가압 가스 질량의 수치 시뮬레이션은 실험 결과와 잘 일치함을 보여줍니다. 가압 중 지배적인 열 전달은 주입된 가압 가스에서 축방향 탱크 벽으로 나타나고 능동 가압 단계 동안 상 변화의 주된 방식은 가압 가스의 유형에 따라 다릅니다.
가압 단계가 끝나면 상당한 압력 강하가 발생합니다. 이 압력 강하의 분석적 결정을 위해 이론적 모델이 제공됩니다.
The active-pressurization of cryogenic propellant tanks for the launcher application was analyzed in this study. Therefore, ground experiments, numerical simulations and analytical studies were performed with the following important results: In order to minimize the required pressurant gas mass, a higher pressurant gas temperature is advantageous or the application of helium as pressurant gas. Numerical simulations of the pressurant gas mass using Flow-3D show good agreement to the experimental results. The dominating heat transfer during pressurization appears from the injected pressurant gas to the axial tank walls and the predominant way of phase change during the active-pressurization phase depends on the type of the pressurant gas. After the end of the pressurization phase, a significant pressure drop occurs. A theoretical model is presented for the analytical determination of this pressure drop.
Figure 1: Drawing of the experimental set-up, Figure 2: Experimental tank with locations of temperature sensorsFigure 3: Non-dimensional (a) tank pressure, (b) liquid temperatures, (c) vapor temperatures, (d) wall and lid temperatures during pressurization and relaxation of the N300h experiment (for details see Table 2). T14 is the pressurant
gas temperature at the diffuser. Pressurization starts at tp,0 (t
∗ = 0.06·10−4
) and ends at tp, f (t
∗ = 0.84·10−4
). Relaxation
takes place until tp,T (t
∗ = 2.79·10−4
) and ∆p is the characteristic pressure dropFigure 5: Nondimensional vapor mass at pressurization start (m
∗
v,0
), pressurant gas mass (m
∗
pg), condensed vapor mass
from pressurization start to pressurization end (m
∗
cond,0,f
) and condensed vapor mass from pressurization end to relaxation end (m
∗
cond, f,T
) for all GN2 (a) and the GHe (b) pressurized experiments with the relating errors.Figure 6: Schematical propellant tank with vapor and liquid phase, pressurant gas and condensation mass flow as well as the applied control volumes. ., Figure 7: N300h experiment: wall to fluid heat flux at pressurization end (tp, f) over the tank height.
References
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Pan Lu1 , Zhang Cheng-Lin2,6,Wang Liang3, Liu Tong4 and Liu Jiang-lin5 1 Aviation and Materials College, Anhui Technical College of Mechanical and Electrical Engineering, Wuhu Anhui 241000, People’s Republic of China 2 School of Engineering Science, University of Science and Technology of China, Hefei Anhui 230026, People’s Republic of China 3 Anhui Top Additive Manufacturing Technology Co., Ltd., Wuhu Anhui 241300, People’s Republic of China 4 Anhui Chungu 3D Printing Institute of Intelligent Equipment and Industrial Technology, Anhui 241300, People’s Republic of China 5 School of Mechanical and Transportation Engineering, Taiyuan University of Technology, Taiyuan Shanxi 030024, People’s Republic of China 6 Author to whom any correspondence should be addressed. E-mail: ahjdpanlu@126.com, jiao__zg@126.com, ahjdjxx001@126.com,tongliu1988@126.com and liujianglin@tyut.edu.cn
선택적 레이저 용융(SLM)은 열 전달, 용융, 상전이, 기화 및 물질 전달을 포함하는 복잡한 동적 비평형 프로세스인 금속 적층 제조(MAM)에서 가장 유망한 기술 중 하나가 되었습니다. 용융 풀의 특성(구조, 온도 흐름 및 속도 흐름)은 SLM의 최종 성형 품질에 결정적인 영향을 미칩니다. 이 연구에서는 선택적 레이저 용융 AlCu5MnCdVA 합금의 용융 풀 구조, 온도 흐름 및 속도장을 연구하기 위해 수치 시뮬레이션과 실험을 모두 사용했습니다.
그 결과 용융풀의 구조는 다양한 형태(깊은 오목 구조, 이중 오목 구조, 평면 구조, 돌출 구조 및 이상적인 평면 구조)를 나타냈으며, 용융 풀의 크기는 약 132 μm × 107 μm × 50 μm였습니다. : 용융풀은 초기에는 여러 구동력에 의해 깊이 15μm의 깊은 오목형상이었으나, 성형 후기에는 장력구배에 의해 높이 10μm의 돌출형상이 되었다. 용융 풀 내부의 금속 흐름은 주로 레이저 충격력, 금속 액체 중력, 표면 장력 및 반동 압력에 의해 구동되었습니다.
AlCu5MnCdVA 합금의 경우, 금속 액체 응고 속도가 매우 빠르며(3.5 × 10-4 S), 가열 속도 및 냉각 속도는 각각 6.5 × 107 K S-1 및 1.6 × 106 K S-1 에 도달했습니다. 시각적 표준으로 표면 거칠기를 선택하고, 낮은 레이저 에너지 AlCu5MnCdVA 합금 최적 공정 매개변수 창을 수치 시뮬레이션으로 얻었습니다: 레이저 출력 250W, 부화 공간 0.11mm, 층 두께 0.03mm, 레이저 스캔 속도 1.5m s-1 .
또한, 실험 프린팅과 수치 시뮬레이션과 비교할 때, 용융 풀의 폭은 각각 약 205um 및 약 210um이었고, 인접한 두 용융 트랙 사이의 중첩은 모두 약 65um이었다. 결과는 수치 시뮬레이션 결과가 실험 인쇄 결과와 기본적으로 일치함을 보여 수치 시뮬레이션 모델의 정확성을 입증했습니다.
Selective Laser Melting (SLM) has become one of the most promising technologies in Metal Additive Manufacturing (MAM), which is a complex dynamic non-equilibrium process involving heat transfer, melting, phase transition, vaporization and mass transfer. The characteristics of the molten pool (structure, temperature flow and velocity flow) have a decisive influence on the final forming quality of SLM. In this study, both numerical simulation and experiments were employed to study molten pool structure, temperature flow and velocity field in Selective Laser Melting AlCu5MnCdVA alloy. The results showed the structure of molten pool showed different forms(deep-concave structure, double-concave structure, plane structure, protruding structure and ideal planar structure), and the size of the molten pool was approximately 132 μm × 107 μm × 50 μm: in the early stage, molten pool was in a state of deep-concave shape with a depth of 15 μm due to multiple driving forces, while a protruding shape with a height of 10 μm duo to tension gradient in the later stages of forming. The metal flow inside the molten pool was mainly driven by laser impact force, metal liquid gravity, surface tension and recoil pressure. For AlCu5MnCdVA alloy, metal liquid solidification speed was extremely fast(3.5 × 10−4 S), the heating rate and cooling rate reached 6.5 × 107 K S−1 and 1.6 × 106 K S−1 , respectively. Choosing surface roughness as a visual standard, low-laser energy AlCu5MnCdVA alloy optimum process parameters window was obtained by numerical simulation: laser power 250 W, hatching space 0.11 mm, layer thickness 0.03 mm, laser scanning velocity 1.5 m s−1 . In addition, compared with experimental printing and numerical simulation, the width of the molten pool was about 205 um and about 210 um, respectively, and overlapping between two adjacent molten tracks was all about 65 um. The results showed that the numerical simulation results were basically consistent with the experimental print results, which proved the correctness of the numerical simulation model.
Figure 1. AlCu5MnCdVA powder particle size distribution.Figure 2. AlCu5MnCdVA powderFigure 3. Finite element model and calculation domains of SLM.Figure 4. SLM heat transfer process.Figure 17. Two-pass molten tracks overlapping for Scheme NO.2.
References
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DOE Hydrogen Storage Workshop Marriott Crystal Gateway Arlington, VA February 15, 2011 David J. Chato NASA Glenn Research Center Michael P. Doherty NASA Glenn Research Center
Objectives
Purposes of this Presentation • To show the role of Cryogenics in NASA prior missions • To show recent NASA accomplishments in cryogenic fluid management technology • To highlight the importance of long term cryogenic storage to future NASA missions (especially Human Space flight)
What is Cryogenic Fluid Management?
The Cartoon Guide to Cryogenic Fluid Management Illustrating Key Concepts in Iconic Form
GRC Cryogenic Fluid Management Accomplishments
Baseline CFD Models Validated Against K-Site, MHTB, and S-IVB Data
Objective: Perform model development and validation of the baseline computational fluid dynamics (CFD) codes Flow-3D (with point source spray model) and Fluent (with lumped-ullage model) for three self-pressurization experiments and one set of spray bar thermodynamic vent system (TVS) experiments. Accuracy of CFD codes assessed by comparing experimental data and CFD predictions for ullage pressure versus time.
Key Accomplishment/Deliverable/Milestone: • Develop lumped-ullage model (non-moving zero-thickness interface) enabling reduced simulations times compared to Flow-3D, but with limitations on accuracy and applicability to situations with significant interface movement. • Lumped-ullage with spray model development completed, but not tested and validated due to loss of key researcher in June 2009. New person identified to complete this work by end of FY10. (Updated milestone report will be issued).
Flow-3D Volume of Fluid (VOF) and Fluent lumped-ullage models validated against 2 ground-based and 1 flight experiment for LH2 selfpressurization with relative error in ullage pressure generally within 5%, reaching 8-12% at higher liquid fill levels, and up to 18% for the Fluent lumped-ullage simulations of the flight test (S-IVB AS 203) • Flow-3D point source spray model developed and validated against MHTB LH2 spray bar pressure control 1g experiment with ullage pressure errors up to 26% for pressure rise and 47% for pressure decay
Significance: • Two CFD models have been developed with errors quantified for selfpressurization and pressure control of cryogenic storage tanks. • Baseline CFD models are now available Exploration mission applications (including in-space low gravity applications) and design/post-analysis of current CFM experimental work. Applications to Altair and EDS tanks have already occurred and/or are underway.
Temperature contours& velocity
vectors just after spray offFlow-3D results: MHTB LH2 1g test, 50% fill
화성 미션 애플리케이션을 위한 NERVA 파생 원자로 냉각수 채널 모델은 1.3m NERVA 파생 원자로(NDR) 냉각수 채널의 전산유체역학(CFD) 연구 결과를 제시합니다. CFD 코드 FLOW-3D는 NDR 코어를 통과하는 기체 수소의 흐름을 모델링하는 데 사용되었습니다. 수소는 냉각제 채널을 통해 노심을 통과하여 원자로의 냉각제 및 로켓의 추진제 역할을 합니다. 수소는 고밀도/저온 상태로 채널에 들어가고 저밀도/고온 상태로 빠져나오므로 압축성 모델을 사용해야 합니다. 기술 문서의 설계 사양이 모델에 사용되었습니다. 채널 길이에 걸친 압력 강하가 이전에 추정한 것(0.9MPa)보다 높은 것으로 확인되었으며, 이는 더 강력한 냉각수 펌프가 필요하고 설계 사양을 재평가해야 함을 나타냅니다.
NERVA-Derived Reactor Coolant Channel Model for Mars Mission Applications presents the results of a computational fluid dynamics (CFD) study of a 1.3m NERVA-Derived Reactor (NDR) coolant channel; The CFD code FLOW-3D was used to model the flow of gaseous hydrogen through the core of a NDR. Hydrogen passes through the core by way of coolant channels, acting as the coolant for the reactor as well as the propellant for the rocket. Hydrogen enters the channel in a high density/low temperature state and exits in a low density/high temperature state necessitating the use of a compressible model. Design specifications from a technical paper were used for the model; It was determined that the pressure drop across the length of the channel was higher than previously estimated (0.9 MPa), indicating the possible need for more powerful coolant pumps and a re-evaluation of the design specifications.
Figure 1 Nuclear Rocket Schematic DiagramFigure 2 Fuel Element – Tip ViewFigure 3 Fuel Element – Tie-Tube Structure (Tie-tubes are black)Figure 5 Three-Dimensional Coolant Channel ModelFigure 6 Two-Dimensional Coolant Channel Model
REFERENCES
Anderson, J. D., Jr., (1990) Modern Compressible Flow, 2d ed., McGraw-Hill, New York. Avallone E. A. and T. Baumeister III, eds., (1987) Mark’s Standard Handbookfor Mechanical Engineers, 9th ed., McGraw-Hill, New York. Bennett, G. L. and T. J. Miller (1992) “Nuclear Propulsion: A Key Transportation Technology for the Exploration of Mars,” Proceedings o f the 9th Symposium on Space Nuclear Power Systems, CONF-920104, M. S. El-Genk and M. D. Hoover, eds., American Institute of Physics, New York, AIP Conference Proceedings No. 246, 2: 383-388. Black, D. L., and S. V. Gunn (1991) “A Technical Summary of Engine and Reactor Subsystem Design Performance during the NERVA Program,” AIAA-91-3450, American Institute of Aeronautics and Astronautics, Washington, D. C. Borowski, S. K., et al. (1992) “Nuclear Thermal Rockets: Key to Moon-Mars Exploration,” Aerospace America, July 1992, pp. 34(5). Borowski, S. K., et al. (1993) “ Nuclear Thermal Rocket/Vehicle Design Options for Future NASA Missions to the Moon and Mars,” AIAA-93-4170, American Institute of Aeronautics and Astronautics, Washington, D. C. Borowski, S. K., et al. (1994) “Nuclear Thermal Rocket/Stage Technology Options for NASA’s Future Human Exploration Missions to the Moon and Mars,” Proceedings o f the 11th Symposium on Space Nuclear Power and Propulsion, CONF-940101, M. S. El-Genk and M. D. Hoover, eds., American Institute of Physics, New York, NY, AIP Conference Proceedings No. 301, 2: 745 – 758. Burmeister, L. C. (1993) Convective Heat Transfer, 2d ed., John Wiley & Sons, New York. Chi, J., R. Holman, and B. Pierce (1989) “Nerva Derivative Reactors for Thermal and Electrical Propulsion,” AIAA-89-2770, American Institute of Aeronautics and Astronautics, Washington, D. C. FIDAP (1993) FIDAP 7.0 User’s Manual, Fluid Dynamics International, Inc. FL0W-3D (1994) FL0W-3D Version 6.0 Quick Reference Guide, Flow Science, Inc., Los Alamos, NM. Hill, P. G. and C. R. Peterson (1970) Mechanics and Thermodynamics o f Propulsion, Addison-Wesley, Reading, MA. Lamarsh, J. R. (1983) Introduction to Nuclear Engineering, 2d ed., Addison-Wesley, Reading, MA. Nassersharif, B. (1991) Notes from a Nuclear Propulsion Short Course, 3-5 January 1991, American Institute of Physics. Nassersharif, B., E. Porta, and D. Hailes (1994) “A Proposal Entitled: Scenario Based Design of Nuclear Propulsion for Manned Mars Mission,” NSCEE, Las Vegas, NV. Shepard, K., et al. (1992) “A Split Sprint Mission to Mars,” Proceedings o f the 9th Symposium on Space Nuclear Power Systems, CONF-920104, M. S. El-Genk and M. D. Hoover, eds., American Institute of Physics, New York, AIP Conference Proceedings No. 246, 1: 58 – 63. Sutton, G. P. (1986) Rocket Propulsion Elements: An Introduction to the Engineering o f Rockets, 5th ed., John Wiley & Sons, New York. U.S. President (1989) “Remarks on the 20th Anniversary of the Apollo 11 Moon Landing July 20, 1989,” Administration o f George Bush, Office of the Federal Register. National Archives and Records Service, 1989, Washington D. C., George Bush, 1989, p. 992. VSAERO (1994) VSAERO User’s Manual E.5, Analytical Methods, Inc., Redmond, WA. White, F. M. (1991) Viscous Fluid Flow, 2d ed., McGraw-Hill, Inc., New York. Zweig, H. R. and M. H. Cooper (1993) “NERVA-Derived Rocket Module for Solar System Exploration,” AIAA-93-2110, American Institute of Aeronautics and Astronautics, Washington, D. C.
This paper presents the results of tests on the suitability of designed heads (impellers) for aluminum refining. The research was carried out on a physical model of the URO-200, followed by numerical simulations in the FLOW 3D program. Four design variants of impellers were used in the study. The degree of dispersion of the gas phase in the model liquid was used as a criterion for evaluating the performance of each solution using different process parameters, i.e., gas flow rate and impeller speed. Afterward, numerical simulations in Flow 3D software were conducted for the best solution. These simulations confirmed the results obtained with the water model and verified them.
Constantly increasing requirements concerning metallurgical purity in terms of hydrogen content and nonmetallic inclusions make casting manufacturers use effective refining techniques. The answer to this demand is the implementation of the aluminum refining technique making use of a rotor with an original design guaranteeing efficient refining [1,2,3,4]. The main task of the impeller (rotor) is to reduce the contamination of liquid metal (primary and recycled aluminum) with hydrogen and nonmetallic inclusions. An inert gas, mainly argon or a mixture of gases, is introduced through the rotor into the liquid metal to bring both hydrogen and nonmetallic inclusions to the metal surface through the flotation process. Appropriately and uniformly distributed gas bubbles in the liquid metal guarantee achieving the assumed level of contaminant removal economically. A very important factor in deciding about the obtained degassing effect is the optimal rotor design [5,6,7,8]. Thanks to the appropriate geometry of the rotor, gas bubbles introduced into the liquid metal are split into smaller ones, and the spinning movement of the rotor distributes them throughout the volume of the liquid metal bath. In this solution impurities in the liquid metal are removed both in the volume and from the upper surface of the metal. With a well-designed impeller, the costs of refining aluminum and its alloys can be lowered thanks to the reduced inert gas and energy consumption (optimal selection of rotor rotational speed). Shorter processing time and a high degree of dehydrogenation decrease the formation of dross on the metal surface (waste). A bigger produced dross leads to bigger process losses. Consequently, this means that the choice of rotor geometry has an indirect impact on the degree to which the generated waste is reduced [9,10].
Another equally important factor is the selection of process parameters such as gas flow rate and rotor speed [11,12]. A well-designed gas injection system for liquid metal meets two key requirements; it causes rapid mixing of the liquid metal to maintain a uniform temperature throughout the volume and during the entire process, to produce a chemically homogeneous metal composition. This solution ensures effective degassing of the metal bath. Therefore, the shape of the rotor, the arrangement of the nozzles, and their number are significant design parameters that guarantee the optimum course of the refining process. It is equally important to complete the mixing of the metal bath in a relatively short time, as this considerably shortens the refining process and, consequently, reduces the process costs. Another important criterion conditioning the implementation of the developed rotor is the generation of fine diffused gas bubbles which are distributed throughout the metal volume, and whose residence time will be sufficient for the bubbles to collide and adsorb the contaminants. The process of bubble formation by the spinning rotors differs from that in the nozzles or porous molders. In the case of a spinning rotor, the shear force generated by the rotor motion splits the bubbles into smaller ones. Here, the rotational speed, mixing force, surface tension, and fluid density have a key effect on the bubble size. The velocity of the bubbles, which depends mainly on their size and shape, determines their residence time in the reactor and is, therefore, very important for the refining process, especially since gas bubbles in liquid aluminum may remain steady only below a certain size [13,14,15].
The impeller designs presented in the article were developed to improve the efficiency of the process and reduce its costs. The impellers used so far have a complicated structure and are very pricey. The success of the conducted research will allow small companies to become independent of external supplies through the possibility of making simple and effective impellers on their own. The developed structures were tested on the water model. The results of this study can be considered as pilot.
Rotors were realized with the SolidWorks computer design technique and a 3D printer. The developed designs were tested on a water model. Afterward, the solution with the most advantageous refining parameters was selected and subjected to calculations with the Flow3D package. As a result, an impeller was designed for aluminum refining. Its principal lies in an even distribution of gas bubbles in the entire volume of liquid metal, with the largest possible participation of the bubble surface, without disturbing the metal surface. This procedure guarantees the removal of gaseous, as well as metallic and nonmetallic, impurities.
2.1. Rotor Designs
The developed impeller constructions, shown in Figure 1, Figure 2, Figure 3 and Figure 4, were printed on a 3D printer using the PLA (polylactide) material. The impeller design models differ in their shape and the number of holes through which the inert gas flows. Figure 1, Figure 2 and Figure 3 show the same impeller model but with a different number of gas outlets. The arrangement of four, eight, and 12 outlet holes was adopted in the developed design. A triangle-shaped structure equipped with three gas outlet holes is presented in Figure 4.
A schematic of the water model of reactor URO 200.
The URO 200 reactor can be classified as a cyclic reactor. The main element of the device is a rotor, which ends the impeller. The whole system is attached to a shaft via which the refining gas is supplied. Then, the shaft with the rotor is immersed in the liquid metal in the melting pot or the furnace chamber. In URO 200 reactors, the refining process lasts 600 s (10 min), the gas flow rate that can be obtained ranges from 5 to 20 dm3·min−1, and the speed at which the rotor can move is 0 to 400 rpm. The permissible quantity of liquid metal for barbotage refining is 300 kg or 700 kg [8,16,17]. The URO 200 has several design solutions which improve operation and can be adapted to the existing equipment in the foundry. These solutions include the following [8,16]:
URO-200XR—used for small crucible furnaces, the capacity of which does not exceed 250 kg, with no control system and no control of the refining process.
URO-200SA—used to service several crucible furnaces of capacity from 250 kg to 700 kg, fully automated and equipped with a mechanical rotor lift.
URO-200KA—used for refining processes in crucible furnaces and allows refining in a ladle. The process is fully automated, with a hydraulic rotor lift.
URO-200KX—a combination of the XR and KA models, designed for the ladle refining process. Additionally, refining in heated crucibles is possible. The unit is equipped with a manual hydraulic rotor lift.
URO-200PA—designed to cooperate with induction or crucible furnaces or intermediate chambers, the capacity of which does not exceed one ton. This unit is an integral part of the furnace. The rotor lift is equipped with a screw drive.
Studies making use of a physical model can be associated with the observation of the flow and circulation of gas bubbles. They require meeting several criteria regarding the similarity of the process and the object characteristics. The similarity conditions mainly include geometric, mechanical, chemical, thermal, and kinetic parameters. During simulation of aluminum refining with inert gas, it is necessary to maintain the geometric similarity between the model and the real object, as well as the similarity related to the flow of liquid metal and gas (hydrodynamic similarity). These quantities are characterized by the Reynolds, Weber, and Froude numbers. The Froude number is the most important parameter characterizing the process, its magnitude is the same for the physical model and the real object. Water was used as the medium in the physical modeling. The factors influencing the choice of water are its availability, relatively low cost, and kinematic viscosity at room temperature, which is very close to that of liquid aluminum.
The physical model studies focused on the flow of inert gas in the form of gas bubbles with varying degrees of dispersion, particularly with respect to some flow patterns such as flow in columns and geysers, as well as disturbance of the metal surface. The most important refining parameters are gas flow rate and rotor speed. The barbotage refining studies for the developed impeller (variants B4, B8, B12, and RT3) designs were conducted for the following process parameters:
Rotor speed: 200, 300, 400, and 500 rpm,
Ideal gas flow: 10, 20, and 30 dm3·min−1,
Temperature: 293 K (20 °C).
These studies were aimed at determining the most favorable variants of impellers, which were then verified using the numerical modeling methods in the Flow-3D program.
2.3. Numerical Simulations with Flow-3D Program
Testing different rotor impellers using a physical model allows for observing the phenomena taking place while refining. This is a very important step when testing new design solutions without using expensive industrial trials. Another solution is modeling by means of commercial simulation programs such as ANSYS Fluent or Flow-3D [18,19]. Unlike studies on a physical model, in a computer program, the parameters of the refining process and the object itself, including the impeller design, can be easily modified. The simulations were performed with the Flow-3D program version 12.03.02. A three-dimensional system with the same dimensions as in the physical modeling was used in the calculations. The isothermal flow of liquid–gas bubbles was analyzed. As in the physical model, three speeds were adopted in the numerical tests: 200, 300, and 500 rpm. During the initial phase of the simulations, the velocity field around the rotor generated an appropriate direction of motion for the newly produced bubbles. When the required speed was reached, the generation of randomly distributed bubbles around the rotor was started at a rate of 2000 per second. Table 1 lists the most important simulation parameters.
In the case of the CFD analysis, the numerical solutions require great care when generating the computational mesh. Therefore, computational mesh tests were performed prior to the CFD calculations. The effect of mesh density was evaluated by taking into account the velocity of water in the tested object on the measurement line A (height of 0.065 m from the bottom) in a characteristic cross-section passing through the object axis (see Figure 6). The mesh contained 3,207,600, 6,311,981, 7,889,512, 11,569,230, and 14,115,049 cells.
The velocity of the water depending on the size of the computational grid.
The quality of the generated computational meshes was checked using the criterion skewness angle QEAS [18]. This criterion is described by the following relationship:
QEAS=max{βmax−βeq180−βeq,βeq−βminβeq},
(1)
where βmax, βmin are the maximal and minimal angles (in degrees) between the edges of the cell, and βeq is the angle corresponding to an ideal cell, which for cubic cells is 90°.
Normalized in the interval [0;1], the value of QEAS should not exceed 0.75, which identifies the permissible skewness angle of the generated mesh. For the computed meshes, this value was equal to 0.55–0.65.
Moreover, when generating the computational grids in the studied facility, they were compacted in the areas of the highest gradients of the calculated values, where higher turbulence is to be expected (near the impeller). The obtained results of water velocity in the studied object at constant gas flow rate are shown in Figure 6.
The analysis of the obtained water velocity distributions (see Figure 6) along the line inside the object revealed that, with the density of the grid of nodal points, the velocity changed and its changes for the test cases of 7,889,512, 11,569,230, and 14,115,049 were insignificant. Therefore, it was assumed that a grid containing not less than 7,900,000 (7,889,512) cells would not affect the result of CFD calculations.
A single-block mesh of regular cells with a size of 0.0034 m was used in the numerical calculations. The total number of cells was approximately 7,900,000 (7,889,512). This grid resolution (see Figure 7) allowed the geometry of the system to be properly represented, maintaining acceptable computation time (about 3 days on a workstation with 2× CPU and 12 computing cores).
Structured equidistant mesh used in numerical calculations: (a) mesh with smoothed, surface cells (the so-called FAVOR method) used in Flow-3D; (b) visualization of the applied mesh resolution.
The calculations were conducted with an explicit scheme. The timestep was selected by the program automatically and controlled by stability and convergence. From the moment of the initial velocity field generation (start of particle generation), it was 0.0001 s.
When modeling the degassing process, three fluids are present in the system: water, gas supplied through the rotor head (impeller), and the surrounding air. Modeling such a multiphase flow is a numerically very complex issue. The necessity to overcome the liquid backpressure by the gas flowing out from the impeller leads to the formation of numerical instabilities in the volume of fluid (VOF)-based approach used by Flow-3D software. Therefore, a mixed description of the analyzed flow was used here. In this case, water was treated as a continuous medium, while, in the case of gas bubbles, the discrete phase model (DPM) model was applied. The way in which the air surrounding the system was taken into account is later described in detail.
The following additional assumptions were made in the modeling:
—The liquid phase was considered as an incompressible Newtonian fluid.
—The effect of chemical reactions during the refining process was neglected.
—The composition of each phase (gas and liquid) was considered homogeneous; therefore, the viscosity and surface tension were set as constants.
—Only full turbulence existed in the liquid, and the effect of molecular viscosity was neglected.
—The gas bubbles were shaped as perfect spheres.
—The mutual interaction between gas bubbles (particles) was neglected.
2.3.1. Modeling of Liquid Flow
The motion of the real fluid (continuous medium) is described by the Navier–Stokes Equation [20].
dudt=−1ρ∇p+ν∇2u+13ν∇(∇⋅ u)+F,
(2)
where du/dt is the time derivative, u is the velocity vector, t is the time, and F is the term accounting for external forces including gravity (unit components denoted by X, Y, Z).
In the simulations, the fluid flow was assumed to be incompressible, in which case the following equation is applicable:
∂u∂t+(u⋅∇)u=−1ρ∇p+ν∇2u+F.
(3)
Due to the large range of liquid velocities during flows, the turbulence formation process was included in the modeling. For this purpose, the k–ε model turbulence kinetic energy k and turbulence dissipation ε were the target parameters, as expressed by the following equations [21]:
where ρ is the gas density, σκ and σε are the Prandtl turbulence numbers, k and ε are constants of 1.0 and 1.3, and Gk and Gb are the kinetic energy of turbulence generated by the average velocity and buoyancy, respectively.
As mentioned earlier, there are two gas phases in the considered problem. In addition to the gas bubbles, which are treated here as particles, there is also air, which surrounds the system. The boundary of phase separation is in this case the free surface of the water. The shape of the free surface can change as a result of the forming velocity field in the liquid. Therefore, it is necessary to use an appropriate approach to free surface tracking. The most commonly used concept in liquid–gas flow modeling is the volume of fluid (VOF) method [22,23], and Flow-3D uses a modified version of this method called TrueVOF. It introduces the concept of the volume fraction of the liquid phase fl. This parameter can be used for classifying the cells of a discrete grid into areas filled with liquid phase (fl = 1), gaseous phase, or empty cells (fl = 0) and those through which the phase separation boundary (fl ∈ (0, 1)) passes (free surface). To determine the local variations of the liquid phase fraction, it is necessary to solve the following continuity equation:
dfldt=0.
(6)
Then, the fluid parameters in the region of coexistence of the two phases (the so-called interface) depend on the volume fraction of each phase.
ρ=flρl+(1−fl)ρg,
(7)
ν=flνl+(1−fl)νg,
(8)
where indices l and g refer to the liquid and gaseous phases, respectively.
The parameter of fluid velocity in cells containing both phases is also determined in the same way.
u=flul+(1−fl)ug.
(9)
Since the processes taking place in the surrounding air can be omitted, to speed up the calculations, a single-phase, free-surface model was used. This means that no calculations were performed in the gas cells (they were treated as empty cells). The liquid could fill them freely, and the air surrounding the system was considered by the atmospheric pressure exerted on the free surface. This approach is often used in modeling foundry and metallurgical processes [24].
2.3.2. Modeling of Gas Bubble Flow
As stated, a particle model was used to model bubble flow. Spherical particles (gas bubbles) of a given size were randomly generated in the area marked with green in Figure 7b. In the simulations, the gas bubbles were assumed to have diameters of 0.016 and 0.02 m corresponding to the gas flow rates of 10 and 30 dm3·min−1, respectively.
Experimental studies have shown that, as a result of turbulent fluid motion, some of the bubbles may burst, leading to the formation of smaller bubbles, although merging of bubbles into larger groupings may also occur. Therefore, to be able to observe the behavior of bubbles of different sizes (diameter), the calculations generated two additional particle types with diameters twice smaller and twice larger, respectively. The proportion of each species in the system was set to 33.33% (Table 2).
The velocity of the particle results from the generated velocity field (calculated from Equation (3) in the liquid ul around it and its velocity resulting from the buoyancy force ub. The effect of particle radius r on the terminal velocity associated with buoyancy force can be determined according to Stokes’ law.
ub=29 (ρg−ρl)μlgr2,
(10)
where g is the acceleration (9.81).
The DPM model was used for modeling the two-phase (water–air) flow. In this model, the fluid (water) is treated as a continuous phase and described by the Navier–Stokes equation, while gas bubbles are particles flowing in the model fluid (discrete phase). The trajectories of each bubble in the DPM system are calculated at each timestep taking into account the mass forces acting on it. Table 3 characterizes the DPM model used in our own research [18].
Table 3
Characteristic of the DPM model.
Method
Equations
Euler–Lagrange
Balance equation: dugdt=FD(u−ug)+g(ϱg−ϱ)ϱg+F. FD (u − up) denotes the drag forces per mass unit of a bubble, and the expression for the drag coefficient FD is of the form FD=18μCDReϱ⋅gd2g24. The relative Reynolds number has the form Re≡ρdg|ug−u|μ. On the other hand, the force resulting from the additional acceleration of the model fluid has the form F=12dρdtρg(u−ug), where ug is the gas bubble velocity, u is the liquid velocity, dg is the bubble diameter, and CD is the drag coefficient.
3.1. Calculations of Power and Mixing Time by the Flowing Gas Bubbles
One of the most important parameters of refining with a rotor is the mixing power induced by the spinning rotor and the outflowing gas bubbles (via impeller). The mixing power of liquid metal in a ladle of height (h) by gas injection can be determined from the following relation [15]:
pgVm=ρ⋅g⋅uB,
(11)
where pg is the mixing power, Vm is the volume of liquid metal in the reactor, ρ is the density of liquid aluminum, and uB is the average speed of bubbles, given below.
uB=n⋅R⋅TAc⋅Pm⋅t,
(12)
where n is the number of gas moles, R is the gas constant (8.314), Ac is the cross-sectional area of the reactor vessel, T is the temperature of liquid aluminum in the reactor, and Pm is the pressure at the middle tank level. The pressure at the middle level of the tank is calculated by a function of the mean logarithmic difference.
Pm=(Pa+ρ⋅g⋅h)−Paln(Pa+ρ⋅g⋅h)Pa,
(13)
where Pa is the atmospheric pressure, and h is the the height of metal in the reactor.
Themelis and Goyal [25] developed a model for calculating mixing power delivered by gas injection.
pg=2Q⋅R⋅T⋅ln(1+m⋅ρ⋅g⋅hP),
(14)
where Q is the gas flow, and m is the mass of liquid metal.
Zhang [26] proposed a model taking into account the temperature difference between gas and alloy (metal).
pg=QRTgVm[ln(1+ρ⋅g⋅hPa)+(1−TTg)],
(15)
where Tg is the gas temperature at the entry point.
Data for calculating the mixing power resulting from inert gas injection into liquid aluminum are given below in Table 4. The design parameters were adopted for the model, the parameters of which are shown in Figure 5.
Table 4
Data for calculating mixing power introduced by an inert gas.
Table 5 presents the results of mixing power calculations according to the models of Themelis and Goyal and of Zhang for inert gas flows of 10, 20, and 30 dm3·min−1. The obtained calculation results significantly differed from each other. The difference was an order of magnitude, which indicates that the model is highly inaccurate without considering the temperature of the injected gas. Moreover, the calculations apply to the case when the mixing was performed only by the flowing gas bubbles, without using a rotor, which is a great simplification of the phenomenon.
Table 5
Mixing power calculated from mathematical models.
Mathematical Model
Mixing Power (W·t−1) for a Given Inert Gas Flow (dm3·min−1)
The mixing time is defined as the time required to achieve 95% complete mixing of liquid metal in the ladle [27,28,29,30]. Table 6 groups together equations for the mixing time according to the models.
Figure 8 and Figure 9 show the mixing time as a function of gas flow rate for various heights of the liquid column in the ladle and mixing power values.
Mixing time as a function of mixing power (Szekly model).
3.2. Determining the Bubble Size
The mechanisms controlling bubble size and mass transfer in an alloy undergoing refining are complex. Strong mixing conditions in the reactor promote impurity mass transfer. In the case of a spinning rotor, the shear force generated by the rotor motion separates the bubbles into smaller bubbles. Rotational speed, mixing force, surface tension, and liquid density have a strong influence on the bubble size. To characterize the kinetic state of the refining process, parameters k and A were introduced. Parameters k, A, and uB can be calculated using the below equations [33].
k=2D⋅uBdB⋅π−−−−−−√,
(16)
A=6Q⋅hdB⋅uB,
(17)
uB=1.02g⋅dB,−−−−−√
(18)
where D is the diffusion coefficient, and dB is the bubble diameter.
After substituting appropriate values, we get
dB=3.03×104(πD)−2/5g−1/5h4/5Q0.344N−1.48.
(19)
According to the last equation, the size of the gas bubble decreases with the increasing rotational speed (see Figure 10).
Effect of rotational speed on the bubble diameter.
In a flow of given turbulence intensity, the diameter of the bubble does not exceed the maximum size dmax, which is inversely proportional to the rate of kinetic energy dissipation in a viscous flow ε. The size of the gas bubble diameter as a function of the mixing energy, also considering the Weber number and the mixing energy in the negative power, can be determined from the following equations [31,34]:
The first stage of experiments (using the URO-200 water model) included conducting experiments with impellers equipped with four, eight, and 12 gas outlets (variants B4, B8, B12). The tests were carried out for different process parameters. Selected results for these experiments are presented in Figure 11, Figure 12, Figure 13 and Figure 14.
Impeller variant B4—gas bubbles dispersion registered for a gas flow rate of 10 dm3·min−1 and rotor speed of (a) 200, (b) 300, (c) 400, and (d) 500 rpm.
Impeller variant B8—gas bubbles dispersion registered for a gas flow rate of 10 dm3·min−1 and rotor speed of (a) 200, (b) 300, (c) 400, and (d) 500 rpm.
Gas bubble dispersion registered for different processing parameters (impeller variant RT3).
The analysis of the refining variants presented in Figure 11, Figure 12, Figure 13 and Figure 14 reveals that the proposed impellers design model is not useful for the aluminum refining process. The number of gas outlet orifices, rotational speed, and flow did not affect the refining efficiency. In all the variants shown in the figures, very poor dispersion of gas bubbles was observed in the object. The gas bubble flow had a columnar character, and so-called dead zones, i.e., areas where no inert gas bubbles are present, were visible in the analyzed object. Such dead zones were located in the bottom and side zones of the ladle, while the flow of bubbles occurred near the turning rotor. Another negative phenomenon observed was a significant agitation of the water surface due to excessive (rotational) rotor speed and gas flow (see Figure 13, cases 20; 400, 30; 300, 30; 400, and 30; 500).
Research results for a ‘red triangle’ impeller equipped with three gas supply orifices (variant RT3) are presented in Figure 14.
In this impeller design, a uniform degree of bubble dispersion in the entire volume of the modeling fluid was achieved for most cases presented (see Figure 14). In all tested variants, single bubbles were observed in the area of the water surface in the vessel. For variants 20; 200, 30; 200, and 20; 300 shown in Figure 14, the bubble dispersion results were the worst as the so-called dead zones were identified in the area near the bottom and sidewalls of the vessel, which disqualifies these work parameters for further applications. Interestingly, areas where swirls and gas bubble chains formed were identified only for the inert gas flows of 20 and 30 dm3·min−1 and 200 rpm in the analyzed model. This means that the presented model had the best performance in terms of dispersion of gas bubbles in the model liquid. Its design with sharp edges also differed from previously analyzed models, which is beneficial for gas bubble dispersion, but may interfere with its suitability in industrial conditions due to possible premature wear.
3.4. Qualitative Comparison of Research Results (CFD and Physical Model)
The analysis (physical modeling) revealed that the best mixing efficiency results were obtained with the RT3 impeller variant. Therefore, numerical calculations were carried out for the impeller model with three outlet orifices (variant RT3). The CFD results are presented in Figure 15 and Figure 16.
Simulation results of the impeller RT3, for given flows and rotational speeds after a time of 1 s: simulation variants (a) A, (b) B, (c) C, (d) D, (e) E, and (f) F.
Simulation results of the impeller RT3, for given flows and rotational speeds after a time of 5.4 s.: simulation variants (a) A, (b) B, (c) C, (d) D, (e) E, and (f) F.
CFD results are presented for all analyzed variants (impeller RT3) at two selected calculation timesteps of 1 and 5.40 s. They show the velocity field of the medium (water) and the dispersion of gas bubbles.
Figure 15 shows the initial refining phase after 1 s of the process. In this case, the gas bubble formation and flow were observed in an area close to contact with the rotor. Figure 16 shows the phase when the dispersion and flow of gas bubbles were advanced in the reactor area of the URO-200 model.
The quantitative evaluation of the obtained results of physical and numerical model tests was based on the comparison of the degree of gas dispersion in the model liquid. The degree of gas bubble dispersion in the volume of the model liquid and the areas of strong turbulent zones formation were evaluated during the analysis of the results of visualization and numerical simulations. These two effects sufficiently characterize the required course of the process from the physical point of view. The known scheme of the below description was adopted as a basic criterion for the evaluation of the degree of dispersion of gas bubbles in the model liquid.
Minimal dispersion—single bubbles ascending in the region of their formation along the ladle axis; lack of mixing in the whole bath volume.
Accurate dispersion—single and well-mixed bubbles ascending toward the bath mirror in the region of the ladle axis; no dispersion near the walls and in the lower part of the ladle.
Uniform dispersion—most desirable; very good mixing of fine bubbles with model liquid.
Excessive dispersion—bubbles join together to form chains; large turbulence zones; uneven flow of gas.
The numerical simulation results give a good agreement with the experiments performed with the physical model. For all studied variants (used process parameters), the single bubbles were observed in the area of water surface in the vessel. For variants presented in Figure 13 (200 rpm, gas flow 20 and dm3·min−1) and relevant examples in numerical simulation Figure 16, the worst bubble dispersion results were obtained because the dead zones were identified in the area near the bottom and sidewalls of the vessel, which disqualifies these work parameters for further use. The areas where swirls and gas bubble chains formed were identified only for the inert gas flows of 20 and 30 dm3·min−1 and 200 rpm in the analyzed model (physical model). This means that the presented impeller model had the best performance in terms of dispersion of gas bubbles in the model liquid. The worst bubble dispersion results were obtained because the dead zones were identified in the area near the bottom and side walls of the vessel, which disqualifies these work parameters for further use.
Figure 17 presents exemplary results of model tests (CFD and physical model) with marked gas bubble dispersion zones. All variants of tests were analogously compared, and this comparison allowed validating the numerical model.
Compilations of model research results (CFD and physical): A—single gas bubbles formed on the surface of the modeling liquid, B—excessive formation of gas chains and swirls, C—uniform distribution of gas bubbles in the entire volume of the tank, and D—dead zones without gas bubbles, no dispersion. (a) Variant B; (b) variant F.
It should be mentioned here that, in numerical simulations, it is necessary to make certain assumptions and simplifications. The calculations assumed three particle size classes (Table 2), which represent the different gas bubbles that form due to different gas flow rates. The maximum number of particles/bubbles (Table 1) generated was assumed in advance and related to the computational capabilities of the computer. Too many particles can also make it difficult to visualize and analyze the results. The size of the particles, of course, affects their behavior during simulation, while, in the figures provided in the article, the bubbles are represented by spheres (visualization of the results) of the same size. Please note that, due to the adopted Lagrangian–Eulerian approach, the simulation did not take into account phenomena such as bubble collapse or fusion. However, the obtained results allow a comprehensive analysis of the behavior of gas bubbles in the system under consideration.
The comparative analysis of the visualization (quantitative) results obtained with the water model and CFD simulations (see Figure 17) generated a sufficient agreement from the point of view of the trends. A precise quantitative evaluation is difficult to perform because of the lack of a refraction compensating system in the water model. Furthermore, in numerical simulations, it is not possible to determine the geometry of the forming gas bubbles and their interaction with each other as opposed to the visualization in the water model. The use of both research methods is complementary. Thus, a direct comparison of images obtained by the two methods requires appropriate interpretation. However, such an assessment gives the possibility to qualitatively determine the types of the present gas bubble dispersion, thus ultimately validating the CFD results with the water model.
A summary of the visualization results for impellers RT3, i.e., analysis of the occurring gas bubble dispersion types, is presented in Table 8.
Table 8
Summary of visualization results (impeller RT3)—different types of gas bubble dispersion.
Tests carried out for impeller RT3 confirmed the high efficiency of gas bubble distribution in the volume of the tested object at a low inert gas flow rate of 10 dm3·min−1. The most optimal variant was variant B (300 rpm, 10 dm3·min−1). However, the other variants A and C (gas flow rate 10 dm3·min−1) seemed to be favorable for this type of impeller and are recommended for further testing. The above process parameters will be analyzed in detail in a quantitative analysis to be performed on the basis of the obtained efficiency curves of the degassing process (oxygen removal). This analysis will give an unambiguous answer as to which process parameters are the most optimal for this type of impeller; the results are planned for publication in the next article.
It should also be noted here that the high agreement between the results of numerical calculations and physical modelling prompts a conclusion that the proposed approach to the simulation of a degassing process which consists of a single-phase flow model with a free surface and a particle flow model is appropriate. The simulation results enable us to understand how the velocity field in the fluid is formed and to analyze the distribution of gas bubbles in the system. The simulations in Flow-3D software can, therefore, be useful for both the design of the impeller geometry and the selection of process parameters.
The results of experiments carried out on the physical model of the device for the simulation of barbotage refining of aluminum revealed that the worst results in terms of distribution and dispersion of gas bubbles in the studied object were obtained for the black impellers variants B4, B8, and B12 (multi-orifice impellers—four, eight, and 12 outlet holes, respectively).
In this case, the control of flow, speed, and number of gas exit orifices did not improve the process efficiency, and the developed design did not meet the criteria for industrial tests. In the case of the ‘red triangle’ impeller (variant RT3), uniform gas bubble dispersion was achieved throughout the volume of the modeling fluid for most of the tested variants. The worst bubble dispersion results due to the occurrence of the so-called dead zones in the area near the bottom and sidewalls of the vessel were obtained for the flow variants of 20 dm3·min−1 and 200 rpm and 30 dm3·min−1 and 200 rpm. For the analyzed model, areas where swirls and gas bubble chains were formed were found only for the inert gas flow of 20 and 30 dm3·min−1 and 200 rpm. The model impeller (variant RT3) had the best performance compared to the previously presented impellers in terms of dispersion of gas bubbles in the model liquid. Moreover, its design differed from previously presented models because of its sharp edges. This can be advantageous for gas bubble dispersion, but may negatively affect its suitability in industrial conditions due to premature wearing.
The CFD simulation results confirmed the results obtained from the experiments performed on the physical model. The numerical simulation of the operation of the ‘red triangle’ impeller model (using Flow-3D software) gave good agreement with the experiments performed on the physical model. This means that the presented model impeller, as compared to other (analyzed) designs, had the best performance in terms of gas bubble dispersion in the model liquid.
In further work, the developed numerical model is planned to be used for CFD simulations of the gas bubble distribution process taking into account physicochemical parameters of liquid aluminum based on industrial tests. Consequently, the obtained results may be implemented in production practice.
This paper was created with the financial support grants from the AGH-UST, Faculty of Foundry Engineering, Poland (16.16.170.654 and 11/990/BK_22/0083) for the Faculty of Materials Engineering, Silesian University of Technology, Poland.
Conceptualization, K.K. and D.K.; methodology, J.P. and T.M.; validation, M.S. and S.G.; formal analysis, D.K. and T.M.; investigation, J.P., K.K. and S.G.; resources, M.S., J.P. and K.K.; writing—original draft preparation, D.K. and T.M.; writing—review and editing, D.K. and T.M.; visualization, J.P., K.K. and S.G.; supervision, D.K.; funding acquisition, D.K. and T.M. All authors have read and agreed to the published version of the manuscript.
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Dissertação de Mestrado Ciclo de Estudos Integrados Conducentes ao Grau de Mestre em Engenharia Mecânica Trabalho efectuado sob a orientação do Doutor Hélder de Jesus Fernades Puga Professor Doutor José Joaquim Carneiro Barbosa
ABSTRACT
논문의 일부로 튜터 선택 가능성과 해결해야 할 주제가 설정되는 매개변수를 염두에 두고 개발 주제 ‘Flow- 3D ®에 의한 저압 충전 시스템 최적화’가 선택되었습니다. 이를 위해서는 달성해야 할 목표와 이를 달성하기 위한 방법을 정의하는 것이 필요했습니다.
충전 시스템을 시뮬레이션하고 검증할 수 있는 광범위한 소프트웨어에도 불구하고 Flow-3D®는 시장에서 최고의 도구 중 하나로 표시되어 전체 충전 프로세스 및 행동 표현과 관련하여 탁월한 정확도로 시뮬레이션하는 능력을 입증했습니다.
이를 위해 관련 프로세스를 더 잘 이해하고 충진 시스템 시뮬레이션을 위한 탐색적 기반 역할을 하기 위해 이 도구를 탐색하는 것이 중요합니다. 지연 및 재료 낭비에 반영되는 실제적인 측면에서 충전 장치의 치수를 완벽하게 만드는 비용 및 시간 낭비. 이러한 방식으로 저압 주조 공정에서 충진 시스템을 설계하고 물리적 모델을 탐색하여 특성화하는 방법론을 검증하기 위한 것입니다.
이를 위해 다음 주요 단계를 고려하십시오.
시뮬레이션 소프트웨어 Flow 3D® 탐색; 충전 시스템 모델링; 모델의 매개변수를 탐색하여 모델링된 시스템의 시뮬레이션, 검증 및 최적화.
따라서 연구 중인 압력 곡선과 주조 분석에서 가장 관련성이 높은 정보의 최종 마이닝을 검증하기 위한 것입니다.
사용된 압력 곡선은 수집된 문헌과 이전에 수행된 실제 작업을 통해 얻었습니다. 결과를 통해 3단계 압력 곡선이 층류 충진 체계의 의도된 목적과 관련 속도가 0.5 𝑚/𝑠를 초과하지 않는다는 결론을 내릴 수 있었습니다.
충전 수준이 2인 압력 곡선은 0.5 𝑚/𝑠 이상의 속도로 영역을 채우는 더 난류 시스템을 갖습니다. 열전달 매개변수는 이전에 얻은 값이 주물에 대한 소산 거동을 확증하지 않았기 때문에 연구되었습니다.
이러한 방식으로 주조 공정에 더 부합하는 새로운 가치를 얻었습니다. 달성된 결과는 유사한 것으로 나타난 NovaFlow & Solid®에 의해 생성된 결과와 비교되어 시뮬레이션에서 설정된 매개변수를 검증했습니다. Flow 3D®는 주조 부품 시뮬레이션을 위한 강력한 도구로 입증되었습니다.
As part of the dissertation and bearing in mind the parameters in which the possibility of a choice of tutor and the subject to be addressed is established, the subject for development ’Optimization of filling systems for low pressure by Flow 3D ®’ was chosen. For this it was necessary to define the objectives to achieve and the methods to attain them. Despite the wide range of software able to simulate and validate filling systems, Flow 3D® has been shown as one of the best tools in the market, demonstrating its ability to simulate with distinctive accuracy with respect to the entire process of filling and the behavioral representation of the fluid obtained. To this end, it is important to explore this tool for a better understanding of the processes involved and to serve as an exploratory basis for the simulation of filling systems, simulation being one of the great strengths of the current industry due to the need to reduce costs and time waste, in practical terms, that lead to the perfecting of the dimensioning of filling devices, which are reflected in delays and wasted material. In this way it is intended to validate the methodology to design a filling system in lowpressure casting process, exploring their physical models and thus allowing for its characterization. For this, consider the following main phases: The exploration of the simulation software Flow 3D®; modeling of filling systems; simulation, validation and optimization of systems modeled by exploring the parameters of the models. Therefore, it is intended to validate the pressure curves under study and the eventual mining of the most relevant information in a casting analysis. The pressure curves that were used were obtained through the gathered literature and the practical work previously performed. Through the results it was possible to conclude that the pressure curve with 3 levels meets the intended purpose of a laminar filling regime and associated speeds never exceeding 0.5 𝑚/𝑠. The pressure curve with 2 filling levels has a more turbulent system, having filling areas with velocities above 0.5 𝑚/𝑠. The heat transfer parameter was studied due to the values previously obtained didn’t corroborate the behavior of dissipation regarding to the casting. In this way, new values, more in tune with the casting process, were obtained. The achieved results were compared with those generated by NovaFlow & Solid®, which were shown to be similar, validating the parameters established in the simulations. Flow 3D® was proven a powerful tool for the simulation of casting parts.
Figure 4.24 – Model with virtual valves in the extremities of the geometries to simulate the permeability of the mold promoting a more uniformed fillingFigure 4.39 – Values of temperature contours using full energy heat transfer parameter for simulaFigure 4.40 – Comparison between software simulations (a) Flow 3D® simulation,
(b) NovaFlow & Solid® simulation
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Available: file:///C:/Users/Jos%C3%A9 Belo/Desktop/Artigo_Software/UAB Casting Engineering Laboratory.htm. [Accessed: 09-Nov-2015]. [18] A. Louvo, “Casting Simulation as a Tool in Concurrent Engineering,” pp. 1–12, 1997. [19] T. R. Vijayaram and P. Piccardo, “Computers in Foundries,” vol. 30, 2012. [20] M. Sadaiah, D. R. Yadav, P. V. Mohanram, and P. Radhakrishnan, “A generative computer-aided process planning system for prismatic components,” Int. J. Adv. Manuf. Technol., vol. 20, no. 10, pp. 709–719, 2002. [21] Ministry_of_Planning, “Digital Data,” vol. 67, pp. 1–6, 2004. [22] S. Shamasundar, D. Ramachandran, and N. S. Shrinivasan, “COMPUTER SIMULATION AND ANALYSIS OF INVESTMENTCASTING PROCESS.” [23] J. M. Siqueira and G. Motors, “Simulation applied to Aluminum High Pressure Die Casting,” pp. 1–5, 1998. [24] C. Fluid, COMPUTATIONAL FLUID DYNAMICS. Abdulnaser Sayma & Ventus Publishing ApS, 2009. [25] C. a. Felippa, “1 – Overview,” Adv. Finite Elem. Methods, pp. 1–9. [26] a. Meena and M. El Mansori, “Correlative thermal methodology for castability simulation of ductile iron in ADI production,” J. Mater. Process. Technol., vol. 212, no. 11, pp. 2484–2495, 2012. [27] T. R. Vijayaram, S. Sulaiman, a. M. S. Hamouda, and M. H. M. Ahmad, “Numerical simulation of casting solidification in permanent metallic molds,” J. Mater. Process. 69 Technol., vol. 178, pp. 29–33, 2006. [28] “General CFD FAQ — CFD-Wiki, the free CFD reference.” [Online]. Available: http://www.cfd-online.com/Wiki/General_CFD_FAQ. [Accessed: 10-Nov-2015]. [29] “FEM | FEA | CFD.” [Online]. Available: http://fem4analyze.blogspot.pt/. [Accessed: 09-Nov-2015]. [30] “Fundição; revista da Associação portuguesa de fundição,” Fundição, vol. N o 227. [31] “Casting Training Class – Lecture 1 – Introduction_to_FLOW-3D – Casting.” FLOW3D®. [32] F. Science, “FLOW-3D Cast Documentation,” no. 3.5, p. 80, 2012. [33] “Casting Training Class – Lecture 4 – Geometry Building – General.” FLOW-3D®. [34] F. Science, “FLOW-3D v11.0.3 User Manual,” pp. 1–132, 2015. [35] “Casting Training Class – Lecture 5 Meshing Concept – General.” FLOW-3D®. [36] “Casting Training Class – Lecture 6 – Boundary_Conditions – Casting.” FLOW-3D®. [37] “Casting Training Class – Lecture 9 – Physical Models-castings.” FLOW-3D®. [38] P. A. D. Jácome, M. C. Landim, A. Garcia, A. F. Furtado, and I. L. Ferreira, “The application of computational thermodynamics and a numerical model for the determination of surface tension and Gibbs–Thomson coefficient of aluminum based alloys,” Thermochim. Acta, vol. 523, no. 1–2, pp. 142–149, 2011. [39] J. P. Anson, R. A. L. Drew, and J. E. Gruzleski, “The surface tension of molten aluminum and Al-Si-Mg alloy under vacuum and hydrogen atmospheres,” Metall. Mater. Trans. B Process Metall. Mater. Process. Sci., vol. 30, no. 6, pp. XVI–1032, 1999.
Publication Date:2013-07-24 Research Org.: Los Alamos National Lab. (LANL), Los Alamos, NM (United States) Sponsoring Org.: DOE/LANL OSTI Identifier: 1088904 Report Number(s): LA-UR-13-25537 DOE Contract Number: AC52-06NA25396 Resource Type: Technical Report Country of Publication: United States Language: English Subject: Engineering(42); Materials Science(36); Radiation Chemistry, Radiochemistry, & Nuclear Chemistry(38)
Introduction
The plutonium foundry at Los Alamos National Laboratory casts products for various special nuclear applications. However, plutonium’s radioactivity, material properties, and security constraints complicate the ability to perform experimental analysis of mold behavior. The Manufacturing Engineering and Technologies (MET-2) group previously developed a graphite mold to vacuum cast small plutonium disks to be used by the Department of Homeland Security as point sources for radiation sensor testing.
A two-stage pouring basin consisting of a funnel and an angled cavity directs the liquid into a vertical runner. A stack of ten disk castings connect to the runner by horizontal gates. Volumetric flow rates were implemented to limit overflow into the funnel and minimize foundry returns. Models using Flow-3D computational fluid dynamics software are employed here to determine liquid Pu flow paths, optimal pour regimes, temperature changes, and pressure variations.
Setup
Hardcopy drawings provided necessary information to create 3D .stl models for import into Flow-3D (Figs. 1 and 2). The mesh was refined over several iterations to isolate the disk cavities, runner, angled cavity, funnel, and input pour. The final flow and mold-filling simulation utilizes a fine mesh with ~5.5 million total cells. For the temperature study, the mesh contained 1/8 as many cells to reduce computational time and set temperatures to 850 °C for the molten plutonium and 500 °C for the solid graphite mold components (Fig. 3).
Flow-3D solves mass continuity and Navier-Stokes momentum equations over the structured rectangular grid model using finite difference and finite volume numerical algorithms. The solver includes terms in the momentum equation for body and viscous accelerations and uses convective heat transfer.
Simulation settings enabled Flow-3D physics calculations for gravity at 980.665 cm/s 2 in the negative Z direction (top of mold to bottom); viscous, turbulent, incompressible flow using dynamically-computed Renormalized Group Model turbulence calculations and no-slip/partial slip wall shear, and; first order, full energy equation heat transfer.
Mesh boundaries were all set to symmetric boundary conditions except for the Zmin boundary set to outflow and the Zmax boundary set to a volume flow. Vacuum casting conditions and the high reactivity of remaining air molecules with Pu validate the assumption of an initially fluidless void.
Results
The flow follows a unique three-dimensional path. The mold fills upwards with two to three disks receiving fluid in a staggered sequence. Figures 5-9 show how the fluid fills the cavity, and Figure 7 includes the color scale for pressure levels in these four figures. The narrow gate causes a high pressure region which forces the fluid to flow down the cavity centerline.
It proceeds to splash against the far wall and then wrap around the circumference back to the gate (Figs. 5 and 6). Flow in the angled region of the pouring basin cascades over the bottom ledge and attaches to the far wall of the runner, as seen in Figure 7.
This channeling becomes less pronounced as fluid volume levels increase. Finally, two similar but non-uniform depressed regions form about the centerline. These regions fill from their perimeter and bottom until completion (Fig. 8). Such a pattern is counter, for example, to a steady scenario in which a circle of molten Pu encompassing the entire bottom surface rises as a growing cylinder.
Cavity pressure becomes uniform when the cavity is full. Pressure levels build in the rising well section of the runner, where impurities were found to settle in actual casting. Early test simulations optimized the flow as three pours so that the fluid would never overflow to the funnel, the cavities would all fill completely, and small amounts of fluid would remain as foundry returns in the angled cavity.
These rates and durations were translated to the single 2.7s pour at 100 cm 3 per second used here. Figure 9 shows anomalous pressure fluctuations which occurred as the cavities became completely filled. Multiple simulations exhibited a rapid change in pressure from positive to negative and back within the newly-full disk and surrounding, already-full disks.
The time required to completely fill each cavity is plotted in Figure 10. Results show negligible temperature change within the molten Pu during mold filling and, as seen in Figure 11, at fill completion.
Figure 1: Mold drawingsFigure 2: Mold AssemblyFigure 4: Actual mold and cast PuFigure 5: Bottom cavity filling
from runnerFigure 6: Pouring and fillingFigure 8: Edge detection of cavity fill geometry. Two similar depressed areas form
about the centerline. Top cavity shown; same pressure scale as other figuresFigure 10: Cavity fill times,from first fluid contact with pouring basin, Figure 11:Fluid temperature remains essentially constant
Conclusions
Non-uniform cavity filling could cause crystal microstructure irregularities during solidification. However, the small temperature changes seen – due to large differences in specific heat between Pu and graphite – over a relatively short time make such problems unlikely in this case.
In the actual casting, cooling required approximately ten minutes. This large difference in time scales further reduces the chance for temperature effects in such a superheated scenario. Pouring basin emptying decreases pressure at the gate which extends fill time of the top two cavities.
The bottom cavity takes longer to fill because fluid must first enter the runner and fill the well. Fill times continue linearly until the top two cavities. The anomalous pressure fluctuations may be due to physical attempts by the system to reach equilibrium, but they are more likely due to numerical errors in the Flow3D solver.
Unsuccessful tests were performed to remove them by halving fluid viscosity. The fine mesh reduced, but did not eliminate, the extent of the fluctuations. Future work is planned to study induction and heat transfer in the full Pu furnace system, including quantifying temporal lag of the cavity void temperature to the mold wall temperature during pre-heat and comparing heat flux levels between furnace components during cool-down.
Thanks to Doug Kautz for the opportunity to work with MET-2 and for assigning an interesting unclassified project. Additional thanks to Mike Bange for CFD guidance, insight of the project’s history, and draft review.
ROPELLANT 열 성층화 및 외부 교란에 대한 유체 역학적 반응은 발사체와 우주선 모두에서 중요합니다. 과거에는 결합된 솔루션을 제공할 수 있는 충분한 계산 기술이 부족하여 이러한 문제를 개별적으로 해결했습니다.1
이로 인해 모델링 기술의 불확실성을 허용하기 위해 큰 안전 계수를 가진 시스템이 과도하게 설계되었습니다. 고중력 환경과 저중력 환경 모두에서 작동하도록 설계된 미래 시스템은 기술적으로나 재정적으로 실현 가능하도록 과잉 설계 및 안전 요소가 덜 필요합니다.
이러한 유체 시스템은 열역학 및 유체 역학이 모두 중요한 환경에서 모델의 기능을 광범위하게 검증한 후에만 고충실도 수치 모델을 기반으로 할 수 있습니다. 상용 컴퓨터 코드 FLOW-3D2는 유체 역학 및 열 모델링 모두에서 가능성을 보여주었으며,1 따라서 열역학-유체-역학 엔지니어링 문제에서 결합된 질량, 운동량 및 에너지 방정식을 푸는 데 적합함을 시사합니다.
발사체의 복잡한 액체 가스 시스템에 대한 포괄적인 솔루션을 달성하기 위한 첫 번째 단계로 액체 유체 역학과 열역학을 통합하는 제안된 상단 단계 액체-수소(Lit) 탱크의 간단한 모델이 여기에 제시됩니다. FLOW-3D FLOW-3D 프로그램은 Los Alamos Scientific Laboratory에서 시작되었으며 마커 및 셀 방법에서 파생된 것입니다.3 현재 상태로 가져오기 위해 수년에 걸쳐 광범위한 코드 수정이 이루어졌습니다.2
프로그램은 다음과 같습니다. 일반 Navier-Stokes 방정식을 풀기 위해 수치 근사의 중앙 유한 차분 방법을 사용하는 3차원 유체 역학 솔버입니다. 모멘텀 및 에너지 방정식의 섹션은 특정 응용 프로그램에 따라 활성화 또는 비활성화할 수 있습니다.
코드는 1994년 9월 13일 접수를 인용하기 위해 무액체 표면, 복잡한 용기 기하학, 여러 점성 모델, 표면 장력, 다공성 매체를 통한 흐름 및 응고와 함께 압축성 또는 비압축성 유동 가정을 제공합니다. 1995년 1월 15일에 받은 개정; 1995년 2월 17일 출판 승인.
The elimination of internal macro-defects is a key issue in Ti–6Al–4V alloys fabricated via powder bed fusion using electron beams (PBF-EB), wherein internal macro-defects mainly originate from the virgin powder and inappropriate printing parameters. This study compares different types powders by combining support vector machine techniques to determine the most suitable powder for PBF-EB and to predict the processing window for the printing parameters without internal macro-defects. The results show that powders fabricated via plasma rotating electrode process have the best sphericity, flowability, and minimal porosity and are most suitable for printing. Surface roughness criterion was also applied to determine the quality of the even surfaces, and support vector machine was used to construct processing maps capable of predicting a wide range of four-dimensional printing parameters to obtain macro-defect-free samples, offering the possibility of subsequent development of Ti–6Al–4V alloys with excellent properties. The macro-defect-free samples exhibited good elongation, with the best overall mechanical properties being the ultimate tensile strength and elongation of 934.7 MPa and 24.3%, respectively. The elongation of the three macro-defect-free samples was much higher than that previously reported for additively manufactured Ti–6Al–4V alloys. The high elongation of the samples in this work is mainly attributed to the elimination of internal macro-defects.
Introduction
Additive manufacturing (AM) technologies can rapidly manufacture complex or custom parts, reducing process steps and saving manufacturing time [[1], [2], [3], [4]], and are widely used in the aerospace, automotive, and other precision industries [5,6]. Powder bed fusion using an electron beam (PBF-EB) is an additive manufacturing method that uses a high-energy electron beam to melt metal powders layer by layer to produce parts. In contrast to selective laser melting, PBF-EB involves the preparation of samples in a high vacuum environment, which effectively prevents the introduction of impurities such as O and N. It also involves a preheating process for the print substrate and powder, which reduces residual thermal stress on the sample and subsequent heat treatment processes [[2], [3], [4],7]. Due to these features and advantages, PBF-EB technology is a very important AM technology with great potential in metallic materials. Moreover, PBF-EB is the ideal AM technology for the manufacture of complex components made of many alloys, such as titanium alloys, nickel-based superalloys, aluminum alloys and stainless steels [[2], [3], [4],8].
Ti–6Al–4V alloy is one of the prevalent commercial titanium alloys possessing high specific strength, excellent mechanical properties, excellent corrosion resistance, and good biocompatibility [9,10]. It is widely used in applications requiring low density and excellent corrosion resistance, such as the aerospace industry and biomechanical applications [11,12]. The mechanical properties of PBF-EB-processed Ti–6Al–4V alloys are superior to those fabricated by casting or forging, because the rapid cooling rate in PBF-EB results in finer grains [[12], [13], [14], [15], [16], [17], [18]]. However, the PBF-EB-fabricated parts often include internal macro-defects, which compromises their mechanical properties [[19], [20], [21], [22]]. This study focused on the elimination of macro-defects, such as porosity, lack of fusion, incomplete penetration and unmelted powders, which distinguishes them from micro-defects such as vacancies, dislocations, grain boundaries and secondary phases, etc. Large-sized fusion defects cause a severe reduction in mechanical strength. Smaller defects, such as pores and cracks, lead to the initiation of fatigue cracking and rapidly accelerate the cracking process [23]. The issue of internal macro-defects must be addressed to expand the application of the PBF-EB technology. The main studies for controlling internal macro-defects are online monitoring of defects, remelting and hot isostatic pressing (HIP). The literatures [24,25] report the use of infrared imaging or other imaging techniques to identify defects, but the monitoring of smaller sized defects is still not adequate. And in some cases remelting does not reduce the internal macro-defects of the part, but instead causes coarsening of the macrostructure and volatilization of some metal elements [23]. The HIP treatment does not completely eliminate the internal macro-defects, the original defect location may still act as a point of origin of the crack, and the subsequent treatment will consume more time and economic costs [23]. Therefore, optimizing suitable printing parameters to avoid internal macro-defects in printed parts at source is of great industrial value and research significance, and is an urgent issue in PBF-EB related technology.
There are two causes of internal macro-defects in the AM process: gas pores trapped in the virgin powder and the inappropriate printing parameters [7,23]. Gui et al. [26] classify internal macro-defects during PBF-EB process according to their shape, such as spherical defects, elongated shape defects, flat shape defects and other irregular shape defects. Of these, spherical defects mainly originate from raw material powders. Other shape defects mainly originate from lack of fusion or unmelted powders caused by unsuitable printing parameters, etc. The PBF-EB process requires powders with good flowability, and spherical powders are typically chosen as raw materials. The prevalent techniques for the fabrication of pre-alloyed powders are gas atomization (GA), plasma atomization (PA), and the plasma rotating electrode process (PREP) [27,28]. These methods yield powders with different characteristics that affect the subsequent fabrication. The selection of a suitable powder for PBF-EB is particularly important to produce Ti–6Al–4V alloys without internal macro-defects. The need to optimize several printing parameters such as beam current, scan speed, line offset, and focus offset make it difficult to eliminate internal macro-defects that occur during printing [23]. Most of the studies [11,12,22,[29], [30], [31], [32], [33]] on the optimization of AM processes for Ti–6Al–4V alloys have focused on samples with a limited set of parameters (e.g., power–scan speed) and do not allow for the guidance and development of unknown process windows for macro-defect-free samples. In addition, process optimization remains a time-consuming problem, with the traditional ‘trial and error’ method demanding considerable time and economic costs. The development of a simple and efficient method to predict the processing window for alloys without internal macro-defects is a key issue. In recent years, machine learning techniques have increasingly been used in the field of additive manufacturing and materials development [[34], [35], [36], [37]]. Aoyagi et al. [38] recently proposed a novel and efficient method based on a support vector machine (SVM) to optimize the two-dimensional process parameters (current and scan speed) and obtain PBF-EB-processed CoCr alloys without internal macro-defects. The method is one of the potential approaches toward effective optimization of more than two process parameters and makes it possible for the machine learning techniques to accelerate the development of alloys without internal macro-defects.
Herein, we focus on the elimination of internal macro-defects, such as pores, lack of fusion, etc., caused by raw powders and printing parameters. The Ti–6Al–4V powders produced by three different methods were compared, and the powder with the best sphericity, flowability, and minimal porosity was selected as the feedstock for subsequent printing. The relationship between the surface roughness and internal macro-defects in the Ti–6Al–4V components was also investigated. The combination of SVM and surface roughness indices (Sdr) predicted a wider four-dimensional processing window for obtaining Ti–6Al–4V alloys without internal macro-defects. Finally, we investigated the tensile properties of Ti–6Al–4V alloys at room temperature with different printing parameters, as well as the corresponding microstructures and fracture types.
Section snippets
Starting materials
Three types of Ti–6Al–4V alloy powders, produced by GA, PA, and PREP, were compared. The particle size distribution of the powders was determined using a laser particle size analyzer (LS230, Beckman Coulter, USA), and the flowability was measured using a Hall flowmeter (JIS-Z2502, Tsutsui Scientific Instruments Co., Ltd., Japan), according to the ASTM B213 standard. The powder morphology and internal macro-defects were determined using scanning electron microscopy (SEM, JEOL JCM-6000) and X-ray
Comparison of the characteristics of GA, PA, and PREP Ti–6Al–4V powders
The particle size distributions (PSDs) and flowability of the three types of Ti–6Al–4V alloy powders produced by GA, PA, and PREP are shown in Fig. 2. Although the average particle sizes are similar (89.4 μm for GA, 82.5 μm for PA, and 86.1μm for PREP), the particle size range is different for the three types of powder (6.2–174.8 μm for GA, 27.3–139.2 μm for PA, and 39.4–133.9 μm for PREP). The flowability of the GA, PA, and PREP powders was 30.25 ± 0.98, 26.54 ± 0.37, and 25.03 ± 0.22 (s/50
Conclusions
The characteristics of the three types of Ti–6Al–4V alloy powders produced via GA, PA, and PREP were compared. The PREP powder with the best sphericity, flowability, and low porosity was found to be the most favorable powder for subsequent printing of Ti–6Al–4V alloys without internal macro-defects. The quantitative criterion of Sdr <0.015 for even surfaces was also found to be applicable to Ti–6Al–4V alloys. The process maps of Ti–6Al–4V alloys include two regions, high beam current/scan speed
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
Acknowledgments
This study was based on the results obtained from project JPNP19007, commissioned by the New Energy and Industrial Technology Development Organization (NEDO). This work was also supported by JSPS KAKENHI (Proposal No. 21K03801) and the Inter-University Cooperative Research Program (Proposal nos. 18G0418, 19G0411, and 20G0418) of the Cooperative Research and Development Center for Advanced Materials, Institute for Materials Research, Tohoku University. It was also supported by the Council for
As part of the National Aero-Space Plane (NASP) project, the multi-dimensional effects of gravitational force, initial tank pressure, initial ullage temperature, and heat transfer rate on the 2-D temperature profiles were studied. FLOW-3D, a commercial finite difference fluid flow model, was used for the evaluation. These effects were examined on the basis of previous liquid hydrogen experimental data with gaseous hydrogen pressurant. FLOW-3D results were compared against an existing 1-D model. In addition, the effects of mesh size and convergence criteria on the analytical results were investigated. Suggestions for future modifications and uses of FLOW-3D for modeling of a NASP tank are also presented.
Document ID : 19900016844
Document Type : Technical Memorandum (TM)
AuthorsHardy, Terry L.
(NASA Lewis Research Center Cleveland, OH, United States)Tomsik, Thomas M. (NASA Lewis Research Center Cleveland, OH, United States)
Date Acquired : September 6, 2013
Publication Date : July 1, 1990
Subject CategoryPropellants And Fuels : Report/Patent NumberNASA-TM-103217E-5629NAS 1.15:103217
Funding Number(s)PROJECT: RTOP 763-01-21
Distribution Limits : Public
Copyright : Work of the US Gov. Public Use Permitted.
Prediction of the ullage gas thermal stratification in a NASP vehicle propellant tank experimental simulation using FLOW-3DPrediction of the ullage gas thermal stratification in a NASP vehicle propellant tank experimental simulation using FLOW-3D
에피택셜 과 등축 응고 사이의 경쟁은 적층 제조에서 실행되는 레이저 용융 동안 CMSX-4 단결정 초합금에서 조사되었습니다. 단일 트랙 레이저 스캔은 레이저 출력과 스캐닝 속도의 여러 조합으로 방향성 응고된 CMSX-4 합금의 분말 없는 표면에서 수행되었습니다. EBSD(Electron Backscattered Diffraction) 매핑은 새로운 방향의 식별을 용이하게 합니다. 영역 분율 및 공간 분포와 함께 융합 영역 내에서 핵을 형성한 “스트레이 그레인”은 충실도가 높은 전산 유체 역학 시뮬레이션을 사용하여 용융 풀 내의 온도 및 유체 속도 필드를 모두 추정했습니다. 이 정보를 핵 생성 모델과 결합하여 용융 풀에서 핵 생성이 발생할 확률이 가장 높은 위치를 결정했습니다. 금속 적층 가공의 일반적인 경험에 따라 레이저 용융 트랙의 응고된 미세 구조는 에피택셜 입자 성장에 의해 지배됩니다. 더 높은 레이저 스캐닝 속도와 더 낮은 출력이 일반적으로 흩어진 입자 감소에 도움이 되지만,그럼에도 불구하고 길쭉한 용융 풀에서 흩어진 입자가 분명했습니다.
The competition between epitaxial vs. equiaxed solidification has been investigated in CMSX-4 single crystal superalloy during laser melting as practiced in additive manufacturing. Single-track laser scans were performed on a powder-free surface of directionally solidified CMSX-4 alloy with several combinations of laser power and scanning velocity. Electron backscattered diffraction (EBSD) mapping facilitated identification of new orientations, i.e., “stray grains” that nucleated within the fusion zone along with their area fraction and spatial distribution. Using high-fidelity computational fluid dynamics simulations, both the temperature and fluid velocity fields within the melt pool were estimated. This information was combined with a nucleation model to determine locations where nucleation has the highest probability to occur in melt pools. In conformance with general experience in metals additive manufacturing, the as-solidified microstructure of the laser-melted tracks is dominated by epitaxial grain growth; nevertheless, stray grains were evident in elongated melt pools. It was found that, though a higher laser scanning velocity and lower power are generally helpful in the reduction of stray grains, the combination of a stable keyhole and minimal fluid velocity further mitigates stray grains in laser single tracks.
Introduction
니켈 기반 초합금은 고온에서 긴 노출 시간 동안 높은 인장 강도, 낮은 산화 및 우수한 크리프 저항성을 포함하는 우수한 특성의 고유한 조합으로 인해 가스 터빈 엔진 응용 분야에서 광범위하게 사용됩니다. CMSX-4는 특히 장기 크리프 거동과 관련하여 초고강도의 2세대 레늄 함유 니켈 기반 단결정 초합금입니다. [ 1 , 2 ]입계의 존재가 크리프를 가속화한다는 인식은 가스 터빈 엔진의 고온 단계를 위한 단결정 블레이드를 개발하게 하여 작동 온도를 높이고 효율을 높이는 데 기여했습니다. 이러한 구성 요소는 사용 중 마모될 수 있습니다. 즉, 구성 요소의 무결성을 복원하고 단결정 미세 구조를 유지하는 수리 방법을 개발하기 위한 지속적인 작업이 있었습니다. [ 3 , 4 , 5 ]
적층 제조(AM)가 등장하기 전에는 다양한 용접 공정을 통해 단결정 초합금에 대한 수리 시도가 수행되었습니다. 균열 [ 6 , 7 ] 및 흩어진 입자 [ 8 , 9 ] 와 같은 심각한 결함 이 이 수리 중에 자주 발생합니다. 일반적으로 “스트레이 그레인”이라고 하는 응고 중 모재의 방향과 다른 결정학적 방향을 가진 새로운 그레인의 형성은 니켈 기반 단결정 초합금의 수리 중 유해한 영향으로 인해 중요한 관심 대상입니다. [ 3 , 10 ]결과적으로 재료의 단결정 구조가 손실되고 원래 구성 요소에 비해 기계적 특성이 손상됩니다. 이러한 흩어진 입자는 특정 조건에서 에피택셜 성장을 대체하는 등축 응고의 시작에 해당합니다.
떠돌이 결정립 형성을 완화하기 위해 이전 작업은 용융 영역(FZ) 내에서 응고하는 동안 떠돌이 결정립 형성에 영향을 미치는 수지상 응고 거동 및 처리 조건을 이해하는 데 중점을 두었습니다. [ 11 , 12 , 13 , 14 ] 연구원들은 단결정 합금의 용접 중에 표류 결정립 형성에 대한 몇 가지 가능한 메커니즘을 제안했습니다. [ 12 , 13 , 14 , 15 ]응고 전단에 앞서 국부적인 구성 과냉각은 이질적인 핵 생성 및 등축 결정립의 성장을 유발할 수 있습니다. 또한 용융 풀에서 활발한 유체 흐름으로 인해 발생하는 덴드라이트 조각화는 용융 풀 경계 근처에서 새로운 결정립을 형성할 수도 있습니다. 두 메커니즘 모두에서, 표류 결정립 형성은 핵 생성 위치에 의존하며, 차이점은 수상 돌기 조각화는 수상 돌기 조각이 핵 생성 위치로 작용한다는 것을 의미하는 반면 다른 메커니즘은 재료, 예 를 들어 산화물 입자에서 발견되는 다른 유형의 핵 생성 위치를 사용한다는 것을 의미합니다. 잘 알려진 바와 같이, 많은 주물에 대한 반대 접근법은 TiB와 같은 핵제의 도입을 통해 등축 응고를 촉진하는 것입니다.22알루미늄 합금에서.
헌법적 과냉 메커니즘에서 Hunt [ 11 ] 는 정상 상태 조건에서 기둥에서 등축으로의 전이(CET)를 설명하는 모델을 개발했습니다. Gaumann과 Kurz는 Hunt의 모델을 수정하여 단결정이 응고되는 동안 떠돌이 결정립이 핵을 생성하고 성장할 수 있는 정도를 설명했습니다. [ 12 , 14 ] 이후 연구에서 Vitek은 Gaumann의 모델을 개선하고 출력 및 스캐닝 속도와 같은 용접 조건의 영향에 대한 보다 자세한 분석을 포함했습니다. Vitek은 또한 실험 및 모델링 기술을 통해 표류 입자 형성에 대한 기판 방향의 영향을 포함했습니다. [ 3 , 10 ]일반적으로 높은 용접 속도와 낮은 출력은 표류 입자의 양을 최소화하고 레이저 용접 공정 중 에피택셜 단결정 성장을 최대화하는 것으로 나타났습니다. [ 3,10 ] 그러나 Vitek은 덴드라이트 조각화를 고려하지 않았으며 그의 연구는 불균질 핵형성이 레이저 용접된 CMSX -4 단결정 합금에서 표류 결정립 형성을 이끄는 주요 메커니즘임을 나타냅니다. 현재 작업에서 Vitek의 수치적 방법이 채택되고 금속 AM의 급속한 특성의 더 높은 속도와 더 낮은 전력 특성으로 확장됩니다.
AM을 통한 금속 부품 제조 는 지난 10년 동안 급격한 인기 증가를 목격했습니다. [ 16 ] EBM(Electron Beam Melting)에 의한 CMSX-4의 제작 가능성은 자주 조사되었으나 [ 17 , 18 , 19 , 20 , 21 ] CMSX의 제조 및 수리에 대한 조사는 매우 제한적이었다. – 4개의 단결정 구성요소는 레이저 분말 베드 융합(LPBF)을 사용하며, AM의 인기 있는 하위 집합으로, 특히 표류 입자 형성을 완화하는 메커니즘과 관련이 있습니다. [ 22 ]이러한 조사 부족은 주로 이러한 합금 시스템과 관련된 처리 문제로 인해 발생합니다. [ 2 , 19 , 22 , 23 , 24 ] 공정 매개변수( 예: 열원 전력, 스캐닝 속도, 스폿 크기, 예열 온도 및 스캔 전략)의 엄격한 제어는 완전히 조밀한 부품을 만들고 유지 관리할 수 있도록 하는 데 필수적입니다. 단결정 미세구조. [ 25 ] EBM을 사용하여 단결정 합금의 균열 없는 수리가 현재 가능하지만 [ 19 , 24 ] 표류 입자를 생성하지 않는 수리는 쉽게 달성할 수 없습니다.[ 23 , 26 ]
이 작업에서 LPBF를 대표하는 조건으로 레이저 용융을 사용하여 단결정 CMSX-4에서 표류 입자 완화를 조사했습니다. LPBF는 스캐닝 레이저 빔을 사용하여 금속 분말의 얇은 층을 기판에 녹이고 융합합니다. 층별 증착에서 레이저 빔의 사용은 급격한 온도 구배, 빠른 가열/냉각 주기 및 격렬한 유체 흐름을 경험하는 용융 풀을 생성 합니다 . 이것은 일반적으로 부품에 결함을 일으킬 수 있는 매우 동적인 물리적 현상으로 이어집니다. [ 28 , 29 , 30 ] 레이저 유도 키홀의 동역학( 예:, 기화 유발 반동 압력으로 인한 위상 함몰) 및 열유체 흐름은 AM 공정에서 응고 결함과 강하게 결합되고 관련됩니다. [ 31 , 32 , 33 , 34 ] 기하 구조의 급격한 변화가 발생하기 쉬운 불안정한 키홀은 다공성, 볼링, 스패터 형성 및 흔하지 않은 미세 구조 상을 포함하는 유해한 물리적 결함을 유발할 수 있습니다. 그러나 키홀 진화와 유체 흐름은 자연적으로 다음을 통해 포착 하기 어렵 습니다 .전통적인 사후 특성화 기술. 고충실도 수치 모델링을 활용하기 위해 이 연구에서는 전산유체역학(CFD)을 적용하여 표면 아래의 레이저-물질 상호 작용을 명확히 했습니다. [ 36 ] 이것은 응고된 용융물 풀의 단면에 대한 오랫동안 확립된 사후 특성화와 비교하여 키홀 및 용융물 풀 유체 흐름 정량화를 실행합니다.
CMSX-4 구성 요소의 레이저 기반 AM 수리 및 제조를 위한 적절한 절차를 개발하기 위해 적절한 공정 창을 설정하고 응고 중 표류 입자 형성 경향에 대한 예측 기능을 개발하는 것부터 시작합니다. 다중 합금에 대한 단일 트랙 증착은 분말 층이 있거나 없는 AM 공정에서 용융 풀 형상 및 미세 구조의 정확한 분석을 제공하는 것으로 나타났습니다. [ 37 , 38 , 39 ]따라서 본 연구에서는 CMSX-4의 응고 거동을 알아보기 위해 분말을 사용하지 않는 단일 트랙 레이저 스캔 실험을 사용하였다. 이는 CMSX-4 단결정의 LPBF 제조를 위한 예비 실험 지침을 제공합니다. 또한 응고 모델링은 기존 용접에서 LPBF와 관련된 급속 용접으로 확장되어 표류 입자 감소를 위한 최적의 레이저 용융 조건을 식별했습니다. 가공 매개변수 최적화를 위한 추가 지침을 제공하기 위해 용융물 풀의 매우 동적인 유체 흐름을 모델링했습니다.
재료 및 방법
단일 트랙 실험
방전 가공(EDM)을 사용하여 CMSX-4 방향성 응고 단결정 잉곳으로부터 샘플을 제작했습니다. 샘플의 최종 기하학은 치수 20의 직육면체 형태였습니다.××20××6mm. 6개 중 하나⟨ 001 ⟩⟨001⟩잉곳의 결정학적 방향은 레이저 트랙이 이 바람직한 성장 방향을 따라 스캔되도록 절단 표면에 수직으로 위치했습니다. 단일 레이저 용융 트랙은 EOS M290 기계를 사용하여 분말이 없는 샘플 표면에 만들어졌습니다. 이 기계는 최대 출력 400W, 가우시안 빔 직경 100의 이터븀 파이버 레이저가 장착된 LPBF 시스템입니다. μμ초점에서 m. 실험 중에 직사각형 샘플을 LPBF 기계용 맞춤형 샘플 홀더의 포켓에 끼워 표면을 동일한 높이로 유지했습니다. 이 맞춤형 샘플 홀더에 대한 자세한 내용은 다른 곳에서 설명합니다. 실험 은 아르곤 퍼지 분위기에서 수행되었으며 예열은 적용되지 않았습니다 . 단일 트랙 레이저 용융 실험은 다양한 레이저 출력(200~370W)과 스캔 속도(0.4~1.4m/s)에서 수행되었습니다.
성격 묘사
레이저 스캐닝 후, 레이저 빔 스캐닝 방향에 수직인 평면에서 FZ를 통해 다이아몬드 톱을 사용하여 샘플을 절단했습니다. 그 후, 샘플을 장착하고 220 그릿 SiC 페이퍼로 시작하여 콜로이드 실리카 현탁액 광택제로 마무리하여 자동 연마했습니다. 결정학적 특성화는 20kV의 가속 전압에서 TESCAN MIRA 3XMH 전계 방출 주사 전자 현미경(SEM)에서 수행되었습니다. EBSD 지도는0.4μm _0.4μ미디엄단계 크기. Bruker 시스템을 사용하여 EBSD 데이터를 정리하고 분석했습니다. EBSD 클린업은 그레인을 접촉시키기 위한 그레인 확장 루틴으로 시작한 다음 인덱스되지 않은 회절 패턴과 관련된 검은색 픽셀을 해결하기 위해 이웃 방향 클린업 루틴으로 이어졌습니다. 용융 풀 형태를 분석하기 위해 단면을 광학 현미경으로 분석했습니다. 광학 특성화의 대비를 향상시키기 위해 10g CuSO로 구성된 Marbles 시약의 변형으로 샘플을 에칭했습니다.44, 50mL HCl 및 70mL H22영형.
응고 모델링
구조적 과냉 기준에 기반한 응고 모델링을 수행하여 표유 입자의 성향 및 분포에 대한 가공 매개변수의 영향을 평가했습니다. 이 분석 모델링 접근 방식에 대한 자세한 내용은 이전 작업에서 제공됩니다. [ 3 , 10 ] 참고문헌 3 에 기술된 바와 같이 , 기본 재료의 결정학적 배향을 가진 용융 풀에서 총 표유 입자 면적 분율의 변화는 최소이므로 기본 재료 배향의 영향은 이 작업에서 고려되지 않았습니다. 우리의 LPBF 결과를 이전 작업과 비교하기 위해 Vitek의 작업에서 사용된 수학적으로 간단한 Rosenthal 방정식 [ 3 ]또한 레이저 매개변수의 함수로 용융 풀의 모양과 FZ의 열 조건을 계산하기 위한 기준으로 여기에서 채택되었습니다. Rosenthal 솔루션은 열이 일정한 재료 특성을 가진 반무한 판의 정상 상태 점원을 통해서만 전도를 통해 전달된다고 가정하며 일반적으로 다음과 같이 표현 됩니다 [ 40 , 41 ] .
티=티0+η피2 파이케이엑스2+와이2+지2———-√경험치[- 브이(엑스2+와이2+지2———-√− 엑스 )2α _] ,티=티0+η피2파이케이엑스2+와이2+지2경험치[-V(엑스2+와이2+지2-엑스)2α],(1)
여기서 T 는 온도,티0티0본 연구에서 313K( 즉 , EOS 기계 챔버 온도)로 설정된 주변 온도, P 는 레이저 빔 파워, V 는 레이저 빔 스캐닝 속도,ηη는 레이저 흡수율, k 는 열전도율,αα베이스 합금의 열확산율입니다. x , y , z 는 각각 레이저 스캐닝 방향, 가로 방향 및 세로 방향의 반대 방향과 정렬된 방향입니다 . 이 직교 좌표는 참조 3 의 그림 1에 있는 시스템을 따랐습니다 . CMSX-4에 대한 고상선 온도(1603K)와 액상선 온도(1669K)의 등온선 평균으로 응고 프런트( 즉 , 고체-액체 계면)를 정의했습니다. [ 42 , 43 , 44 ] 시뮬레이션에 사용된 열물리적 특성은 표 I 에 나열되어 있습니다.표 I CMSX-4의 응고 모델링에 사용된 열물리적 특성
어디θθ는 스캔 방향과 응고 전면의 법선 방향( 즉 , 최대 열 흐름 방향) 사이의 각도입니다. 이 연구의 용접 조건과 같은 제한된 성장에서 수지상 응고 전면은 고체-액체 등온선의 속도로 성장하도록 강제됩니다.V티V티. [ 46 ]
응고 전선이 진행되기 전에 새로 핵 생성된 입자의 국지적 비율ΦΦ, 액체 온도 구배 G 에 의해 결정 , 응고 선단 속도V티V티및 핵 밀도N0N0. 고정된 임계 과냉각에서 모든 입자가 핵형성된다고 가정함으로써△티N△티N, 등축 결정립의 반경은 결정립이 핵 생성을 시작하는 시점부터 주상 전선이 결정립에 도달하는 시간까지의 성장 속도를 통합하여 얻습니다. 과냉각으로 대체 시간d (ΔT_) / dt = – _V티G디(△티)/디티=-V티G, 열 구배 G 사이의 다음 관계 , 등축 입자의 국부적 부피 분율ΦΦ, 수상 돌기 팁 과냉각ΔT _△티, 핵 밀도N0N0, 재료 매개변수 n 및 핵생성 과냉각△티N△티N, Gäumann 외 여러분 에 의해 파생되었습니다 . [ 12 , 14 ] Hunt의 모델 [ 11 ] 의 수정에 기반함 :
계산을 단순화하기 위해 덴드라이트 팁 과냉각을 전적으로 구성 과냉각의 것으로 추정합니다.△티씨△티씨, 멱법칙 형식으로 근사화할 수 있습니다.△티씨= ( _V티)1 / 엔△티씨=(ㅏV티)1/N, 여기서 a 와 n 은 재료 종속 상수입니다. CMSX-4의 경우 이 값은a = 1.25 ×106ㅏ=1.25×106 s K 3.4m− 1-1,엔 = 3.4N=3.4, 그리고N0= 2 ×1015N0=2×1015미디엄− 3,-삼,참고문헌 3 에 의해 보고된 바와 같이 .△티N△티N2.5K이며 보다 큰 냉각 속도에서 응고에 대해 무시할 수 있습니다.106106 K/s. 에 대한 표현ΦΦ위의 방정식을 재배열하여 해결됩니다.
As proposed by Hunt,[11] a value of Φ≤0.66Φ≤0.66 pct represents fully columnar epitaxial growth condition, and, conversely, a value of Φ≥49Φ≥49 pct indicates that the initial single crystal microstructure is fully replaced by an equiaxed microstructure. To calculate the overall stray grain area fraction, we followed Vitek’s method by dividing the FZ into roughly 19 to 28 discrete parts (depending on the length of the melt pool) of equal length from the point of maximum width to the end of melt pool along the x direction. The values of G and vTvT were determined at the center on the melt pool boundary of each section and these values were used to represent the entire section. The area-weighted average of ΦΦ over these discrete sections along the length of melt pool is designated as Φ¯¯¯¯Φ¯, and is given by:
Φ¯¯¯¯=∑kAkΦk∑kAk,Φ¯=∑kAkΦk∑kAk,
(6)
where k is the index for each subsection, and AkAk and ΦkΦk are the areas and ΦΦ values for each subsection. The summation is taken over all the sections along the melt pool. Vitek’s improved model allows the calculation of stray grain area fraction by considering the melt pool geometry and variations of G and vTvT around the tail end of the pool.
수년에 걸쳐 용융 풀 현상 모델링의 정확도를 개선하기 위해 많은 고급 수치 방법이 개발되었습니다. 우리는 FLOW-3D와 함께 고충실도 CFD를 사용했습니다. FLOW-3D는 여러 물리 모델을 통합하는 상용 FVM(Finite Volume Method)입니다. [ 47 , 48 ] CFD는 유체 운동과 열 전달을 수치적으로 시뮬레이션하며 여기서 사용된 기본 물리 모델은 레이저 및 표면력 모델이었습니다. 레이저 모델에서는 레이 트레이싱 기법을 통해 다중 반사와 프레넬 흡수를 구현합니다. [ 36 ]먼저, 레이저 빔은 레이저 빔에 의해 조명되는 각 그리드 셀을 기준으로 여러 개의 광선으로 이산화됩니다. 그런 다음 각 입사 광선에 대해 입사 벡터가 입사 위치에서 금속 표면의 법선 벡터와 정렬될 때 에너지의 일부가 금속에 의해 흡수됩니다. 흡수율은 Fresnel 방정식을 사용하여 추정됩니다. 나머지 에너지는 반사광선 에 의해 유지되며 , 반사광선은 재료 표면에 부딪히면 새로운 입사광선으로 처리됩니다. 두 가지 주요 힘이 액체 금속 표면에 작용하여 자유 표면을 변형시킵니다. 금속의 증발에 의해 생성된 반동 압력은 증기 억제를 일으키는 주요 힘입니다. 본 연구에서 사용된 반동 압력 모델은피아르 자형= 특급 _{ B ( 1- _티V/ 티) }피아르 자형=ㅏ경험치{비(1-티V/티)}, 어디피아르 자형피아르 자형는 반동압력, A 와 B 는 재료의 물성에 관련된 계수로 각각 75와 15이다.티V티V는 포화 온도이고 T 는 키홀 벽의 온도입니다. 표면 흐름 및 키홀 형성의 다른 원동력은 표면 장력입니다. 표면 장력 계수는 Marangoni 흐름을 포함하기 위해 온도의 선형 함수로 추정되며,σ =1.79-9.90⋅10− 4( 티− 1654케이 )σ=1.79-9.90⋅10-4(티-1654년케이)엔엠− 1-1. [ 49 ] 계산 영역은 베어 플레이트의 절반입니다(2300 μμ미디엄××250 μμ미디엄××500 μμm) xz 평면 에 적용된 대칭 경계 조건 . 메쉬 크기는 8입니다. μμm이고 시간 단계는 0.15입니다. μμs는 계산 효율성과 정확성 간의 균형을 제공합니다.
결과 및 논의
용융 풀 형태
이 작업에 사용된 5개의 레이저 파워( P )와 6개의 스캐닝 속도( V )는 서로 다른 29개의 용융 풀을 생성했습니다.피- 브이피-V조합. P 와 V 값이 가장 높은 것은 그림 1 을 기준으로 과도한 볼링과 관련이 있기 때문에 본 연구에서는 분석하지 않았다 .
단일 트랙 용융 풀은 그림 1 과 같이 형상에 따라 네 가지 유형으로 분류할 수 있습니다 [ 39 ] : (1) 전도 모드(파란색 상자), (2) 키홀 모드(빨간색), (3) 전환 모드(마젠타), (4) 볼링 모드(녹색). 높은 레이저 출력과 낮은 스캐닝 속도의 일반적인 조합인 키홀 모드에서 용융물 풀은 일반적으로 너비/깊이( W / D ) 비율이 0.5보다 훨씬 큰 깊고 가느다란 모양을 나타냅니다 . 스캐닝 속도가 증가함에 따라 용융 풀이 얕아져 W / D 가 약 0.5인 반원형 전도 모드 용융 풀을 나타냅니다. W / D _전환 모드 용융 풀의 경우 1에서 0.5 사이입니다. 스캐닝 속도를 1200 및 1400mm/s로 더 높이면 충분히 큰 캡 높이와 볼링 모드 용융 풀의 특징인 과도한 언더컷이 발생할 수 있습니다.
힘과 속도의 함수로서의 용융 풀 깊이와 너비는 각각 그림 2 (a)와 (b)에 표시되어 있습니다. 용융 풀 폭은 기판 표면에서 측정되었습니다. 그림 2 (a)는 깊이가 레이저 출력과 매우 선형적인 관계를 따른다는 것을 보여줍니다. 속도가 증가함에 따라 깊이 대 파워 곡선의 기울기는 꾸준히 감소하지만 더 높은 속도 곡선에는 약간의 겹침이 있습니다. 이러한 예상치 못한 중첩은 종종 용융 풀 형태의 동적 변화를 유발하는 유체 흐름의 영향과 레이저 스캔당 하나의 이미지만 추출되었다는 사실 때문일 수 있습니다. 이러한 선형 동작은 그림 2 (b) 의 너비에 대해 명확하지 않습니다 . 그림 2(c)는 선형 에너지 밀도 P / V 의 함수로서 용융 깊이와 폭을 보여줍니다 . 선형 에너지 밀도는 퇴적물의 단위 길이당 에너지 투입량을 측정한 것입니다. [ 50 ] 용융 풀 깊이는 에너지 밀도에 따라 달라지며 너비는 더 많은 분산을 나타냅니다. 동일한 에너지 밀도가 준공 부품의 용융 풀, 미세 구조 또는 속성에서 반드시 동일한 유체 역학을 초래하지는 않는다는 점에 유의하는 것이 중요합니다. [ 50 ]
그림 1그림 2
레이저 흡수율 평가
레이저 흡수율은 LPBF 조건에서 재료 및 가공 매개변수에 따라 크게 달라진다는 것은 잘 알려져 있습니다. [ 31 , 51 , 52 ] 적분구를 이용한 전통적인 흡수율의 직접 측정은 일반적으로 높은 비용과 구현의 어려움으로 인해 쉽게 접근할 수 없습니다. [ 51 ] 그 외 . [ 39 ] 전도 모드 용융 풀에 대한 Rosenthal 방정식을 기반으로 경험적 레이저 흡수율 모델을 개발했지만 기본 가정으로 인해 키홀 용융 풀에 대한 정확한 예측을 제공하지 못했습니다. [ 40 ] 최근 간외 . [ 53 ] Ti–6Al–4V에 대한 30개의 고충실도 다중 물리 시뮬레이션 사례를 사용하여 레이저 흡수에 대한 스케일링 법칙을 확인했습니다. 그러나 연구 중인 특정 재료에 대한 최소 흡수(평평한 용융 표면의 흡수율)에 대한 지식이 필요하며 이는 CMSX-4에 대해 알려지지 않았습니다. 다양한 키홀 모양의 용융 풀에 대한 레이저 흡수의 정확한 추정치를 얻기가 어렵기 때문에 상한 및 하한 흡수율로 분석 시뮬레이션을 실행하기로 결정했습니다. 깊은 키홀 모양의 용융 풀의 경우 대부분의 빛을 가두는 키홀 내 다중 반사로 인해 레이저 흡수율이 0.8만큼 높을 수 있습니다. 이것은 기하학적 현상이며 기본 재료에 민감하지 않습니다. [ 51, 52 , 54 ] 따라서 본 연구에서는 흡수율의 상한을 0.8로 설정하였다. 참고 문헌 51 에 나타낸 바와 같이 , 전도 용융 풀에 해당하는 최저 흡수율은 약 0.3이었으며, 이는 이 연구에서 합리적인 하한 값입니다. 따라서 레이저 흡수율이 스트레이 그레인 형성에 미치는 영향을 보여주기 위해 흡수율 값을 0.55 ± 0.25로 설정했습니다. Vitek의 작업에서는 1.0의 고정 흡수율 값이 사용되었습니다. [ 3 ]
퓨전 존 미세구조
그림 3 은 200~300W 및 600~300W 및 600~300W 범위의 레이저 출력 및 속도로 9가지 다른 처리 매개변수에 의해 생성된 CMSX-4 레이저 트랙의 yz 단면 에서 취한 EBSD 역극점도와 해당 역극점도를 보여 줍니다. 각각 1400mm/s. EBSD 맵에서 여러 기능을 쉽게 관찰할 수 있습니다. 스트레이 그레인은 EBSD 맵에서 그 방향에 해당하는 다른 RGB 색상으로 나타나고 그레인 경계를 묘사하기 위해 5도의 잘못된 방향이 사용되었습니다. 여기, 그림 3 에서 스트레이 그레인은 대부분 용융 풀의 상단 중심선에 집중되어 있으며, 이는 용접된 단결정 CMSX-4의 이전 보고서와 일치합니다. [ 10 ]역 극점도에서, 점 근처에 집중된 클러스터⟨ 001 ⟩⟨001⟩융합 경계에서 유사한 방향을 유지하는 단결정 기반 및 에피택셜로 응고된 덴드라이트를 나타냅니다. 그러나 흩어진 곡물은 식별할 수 있는 질감이 없는 흩어져 있는 점으로 나타납니다. 단결정 기본 재료의 결정학적 방향은 주로⟨ 001 ⟩⟨001⟩비록 샘플을 절단하는 동안 식별할 수 없는 기울기 각도로 인해 또는 단결정 성장 과정에서 약간의 잘못된 방향이 있었기 때문에 약간의 편차가 있지만. 용융 풀 내부의 응고된 수상 돌기의 기본 방향은 다시 한 번⟨ 001 ⟩⟨001⟩주상 결정립 구조와 유사한 에피택셜 성장의 결과. 그림 3 과 같이 용융 풀에서 수상돌기의 성장 방향은 하단의 수직 방향에서 상단의 수평 방향으로 변경되었습니다 . 이 전이는 주로 온도 구배 방향의 변화로 인한 것입니다. 두 번째 전환은 CET입니다. FZ의 상단 중심선 주변에서 다양한 방향의 흩어진 입자가 관찰되며, 여기서 안쪽으로 성장하는 수상돌기가 서로 충돌하여 용융 풀에서 응고되는 마지막 위치가 됩니다.
더 깊은 키홀 모양을 특징으로 하는 샘플에서 용융 풀의 경계 근처에 침전된 흩어진 입자가 분명합니다. 이러한 새로운 입자는 나중에 모델링 섹션에서 논의되는 수상돌기 조각화 메커니즘에 의해 잠재적으로 발생합니다. 결정립이 강한 열 구배에서 핵을 생성하고 성장한 결과, 대부분의 흩어진 결정립은 모든 방향에서 동일한 크기를 갖기보다는 장축이 열 구배 방향과 정렬된 길쭉한 모양을 갖습니다. 그림 3 의 전도 모드 용융 풀 흩어진 입자가 없는 것으로 입증되는 더 나은 단결정 품질을 나타냅니다. 상대적으로 낮은 출력과 높은 속도의 스캐닝 레이저에 의해 생성된 이러한 더 얕은 용융 풀에서 최소한의 결정립 핵형성이 발생한다는 것은 명백합니다. 더 큰 면적 분율을 가진 스트레이 그레인은 고출력 및 저속으로 생성된 깊은 용융 풀에서 더 자주 관찰됩니다. 국부 응고 조건에 대한 동력 및 속도의 영향은 후속 모델링 섹션에서 조사할 것입니다.
그림 3
응고 모델링
서론에서 언급한 바와 같이 연구자들은 단결정 용접 중에 표류 결정립 형성의 가능한 메커니즘을 평가했습니다. [ 12 , 13 , 14 , 15 , 55 ]논의된 가장 인기 있는 두 가지 메커니즘은 (1) 응고 전단에 앞서 구성적 과냉각에 의해 도움을 받는 이종 핵형성 및 (2) 용융물 풀의 유체 흐름으로 인한 덴드라이트 조각화입니다. 첫 번째 메커니즘은 광범위하게 연구되었습니다. 이원 합금을 예로 들면, 고체는 액체만큼 많은 용질을 수용할 수 없으므로 응고 중에 용질을 액체로 거부합니다. 결과적으로, 성장하는 수상돌기 앞에서 용질 분할은 실제 온도가 국부 평형 액상선보다 낮은 과냉각 액체를 생성합니다. 충분히 광범위한 체질적으로 과냉각된 구역의 존재는 새로운 결정립의 핵형성 및 성장을 촉진합니다. [ 56 ]전체 과냉각은 응고 전면에서의 구성, 동역학 및 곡률 과냉각을 포함한 여러 기여의 합입니다. 일반적인 가정은 동역학 및 곡률 과냉각이 합금에 대한 용질 과냉각의 더 큰 기여와 관련하여 무시될 수 있다는 것입니다. [ 57 ]
서로 다른 기본 메커니즘을 더 잘 이해하려면피- 브이피-V조건에서 응고 모델링이 수행됩니다. 첫 번째 목적은 스트레이 그레인의 전체 범위를 평가하는 것입니다(Φ¯¯¯¯Φ¯) 처리 매개 변수의 함수로 국부적 표류 입자 비율의 변화를 조사하기 위해 (ΦΦ) 용융 풀의 위치 함수로. 두 번째 목적은 금속 AM의 빠른 응고 동안 응고 미세 구조와 표류 입자 형성 메커니즘 사이의 관계를 이해하는 것입니다.
그림 4
그림 4 는 해석적으로 시뮬레이션된 표류 입자 비율을 보여줍니다.Φ¯¯¯¯Φ¯세 가지 레이저 흡수율 값에서 다양한 레이저 스캐닝 속도 및 레이저 출력에 대해. 결과는 스트레이 그레인 면적 비율이 흡수된 에너지에 민감하다는 것을 보여줍니다. 흡수율을 0.30에서 0.80으로 증가시키면Φ¯¯¯¯Φ¯약 3배이며, 이 효과는 저속 및 고출력 영역에서 더욱 두드러집니다. 다른 모든 조건이 같다면, 흡수된 전력의 큰 영향은 평균 열 구배 크기의 일반적인 감소와 용융 풀 내 평균 응고율의 증가에 기인합니다. 스캐닝 속도가 증가하고 전력이 감소함에 따라 평균 스트레이 그레인 비율이 감소합니다. 이러한 일반적인 경향은 Vitek의 작업에서 채택된 그림 5 의 파란색 영역에서 시뮬레이션된 용접 결과와 일치합니다 . [ 3 ] 더 큰 과냉각 구역( 즉, 지 /V티G/V티영역)은 용접 풀의 표유 입자의 면적 비율이 분홍색 영역에 해당하는 LPBF 조건의 면적 비율보다 훨씬 더 크다는 것을 의미합니다. 그럼에도 불구하고 두 데이터 세트의 일반적인 경향은 유사합니다. 즉 , 레이저 출력이 감소하고 레이저 속도가 증가함에 따라 표류 입자의 비율이 감소합니다. 또한 그림 5 에서 스캐닝 속도가 LPBF 영역으로 증가함에 따라 표유 입자 면적 분율에 대한 레이저 매개변수의 변화 효과가 감소한다는 것을 추론할 수 있습니다. 그림 6 (a)는 그림 3 의 EBSD 분석에서 나온 실험적 표류 결정립 면적 분율 과 그림 4 의 해석 시뮬레이션 결과를 비교합니다.. 열쇠 구멍 모양의 FZ에서 정확한 값이 다르지만 추세는 시뮬레이션과 실험 데이터 모두에서 일관되었습니다. 키홀 모양의 용융 풀, 특히 전력이 300W인 2개는 분석 시뮬레이션 예측보다 훨씬 더 많은 양의 흩어진 입자를 가지고 있습니다. Rosenthal 방정식은 일반적으로 열 전달이 순전히 전도에 의해 좌우된다는 가정으로 인해 열쇠 구멍 체제의 열 흐름을 적절하게 반영하지 못하기 때문에 이러한 불일치가 실제로 예상됩니다. [ 39 , 40 ] 그것은 또한 그림 4 의 발견 , 즉 키홀 모드 동안 흡수된 전력의 증가가 표류 입자 형성에 더 이상적인 조건을 초래한다는 것을 검증합니다. 그림 6 (b)는 실험을 비교Φ¯¯¯¯Φ¯수치 CFD 시뮬레이션Φ¯¯¯¯Φ¯. CFD 모델이 약간 초과 예측하지만Φ¯¯¯¯Φ¯전체적으로피- 브이피-V조건에서 열쇠 구멍 조건에서의 예측은 분석 모델보다 정확합니다. 전도 모드 용융 풀의 경우 실험 값이 분석 시뮬레이션 값과 더 가깝게 정렬됩니다.
그림 5
모의 온도 구배 G 분포 및 응고율 검사V티V티분석 모델링의 쌍은 그림 7 (a)의 CMSX-4 미세 구조 선택 맵에 표시됩니다. 제공지 /V티G/V티( 즉 , 형태 인자)는 형태를 제어하고지 ×V티G×V티( 즉 , 냉각 속도)는 응고된 미세 구조의 규모를 제어하고 , [ 58 , 59 ]지 -V티G-V티플롯은 전통적인 제조 공정과 AM 공정 모두에서 미세 구조 제어를 지원합니다. 이 플롯의 몇 가지 분명한 특징은 등축, 주상, 평면 전면 및 이러한 경계 근처의 전이 영역을 구분하는 경계입니다. 그림 7 (a)는 몇 가지 선택된 분석 열 시뮬레이션에 대한 미세 구조 선택 맵을 나타내는 반면 그림 7 (b)는 수치 열 모델의 결과와 동일한 맵을 보여줍니다. 등축 미세구조의 형성은 낮은 G 이상 에서 명확하게 선호됩니다.V티V티정황. 이 플롯에서 각 곡선의 평면 전면에 가장 가까운 지점은 용융 풀의 최대 너비 위치에 해당하는 반면 등축 영역에 가까운 지점의 끝은 용융 풀의 후면 꼬리에 해당합니다. 그림 7 (a)에서 대부분의지 -V티G-V티응고 전면의 쌍은 원주형 영역에 속하고 점차 CET 영역으로 위쪽으로 이동하지만 용융 풀의 꼬리는 다음에 따라 완전히 등축 영역에 도달하거나 도달하지 않을 수 있습니다.피- 브이피-V조합. 그림 7 (a) 의 곡선 중 어느 것도 평면 전면 영역을 통과하지 않지만 더 높은 전력의 경우에 가까워집니다. 저속 레이저 용융 공정을 사용하는 이전 작업에서는 곡선이 평면 영역을 통과할 수 있습니다. 레이저 속도가 증가함에 따라 용융 풀 꼬리는 여전히 CET 영역에 있지만 완전히 등축 영역에서 멀어집니다. CET 영역으로 떨어지는 섹션의 수도 감소합니다.Φ¯¯¯¯Φ¯응고된 물질에서.
그림 6
그만큼지 -V티G-V티CFD 모델을 사용하여 시뮬레이션된 응고 전면의 쌍이 그림 7 (b)에 나와 있습니다. 세 방향 모두에서 각 점 사이의 일정한 간격으로 미리 정의된 좌표에서 수행된 해석 시뮬레이션과 달리, 고충실도 CFD 모델의 출력은 불규칙한 사면체 좌표계에 있었고 G 를 추출하기 전에 일반 3D 그리드에 선형 보간되었습니다. 그리고V티V티그런 다음 미세 구조 선택 맵에 플롯됩니다. 일반적인 경향은 그림 7 (a)의 것과 일치하지만 이 방법으로 모델링된 매우 동적인 유체 흐름으로 인해 결과에 더 많은 분산이 있었습니다. 그만큼지 -V티G-V티분석 열 모델의 쌍 경로는 더 연속적인 반면 수치 시뮬레이션의 경로는 용융 풀 꼬리 모양의 차이를 나타내는 날카로운 굴곡이 있습니다(이는 G 및V티V티) 두 모델에 의해 시뮬레이션됩니다.
그림 7그림 8
유체 흐름을 통합한 응고 모델링
수치 CFD 모델을 사용하여 유동 입자 형성 정도에 대한 유체 흐름의 영향을 이해하고 시뮬레이션 결과를 분석 Rosenthal 솔루션과 비교했습니다. 그림 8 은 응고 매개변수 G 의 분포를 보여줍니다.V티V티,지 /V티G/V티, 그리고지 ×V티G×V티yz 단면에서 x 는 FLOW-3D에서 (a1–d1) 분석 열 모델링 및 (a2–d2) FVM 방법을 사용하여 시뮬레이션된 용융 풀의 최대 폭입니다. 그림 8 의 값은 응고 전선이 특정 위치에 도달할 때 정확한 값일 수도 있고 아닐 수도 있지만 일반적인 추세를 반영한다는 의미의 임시 가상 값입니다. 이 프로파일은 출력 300W 및 속도 400mm/s의 레이저 빔에서 시뮬레이션됩니다. 용융 풀 경계는 흰색 곡선으로 표시됩니다. (a2–d2)의 CFD 시뮬레이션 용융 풀 깊이는 342입니다. μμm, 측정 깊이 352와 잘 일치 μμ일치하는 길쭉한 열쇠 구멍 모양과 함께 그림 1 에 표시된 실험 FZ의 m . 그러나 분석 모델은 반원 모양의 용융 풀을 출력하고 용융 풀 깊이는 264에 불과합니다. μμ열쇠 구멍의 경우 현실과는 거리가 멀다. CFD 시뮬레이션 결과에서 열 구배는 레이저 반사 증가와 불안정한 액체-증기 상호 작용이 발생하는 증기 함몰의 동적 부분 근처에 있기 때문에 FZ 하단에서 더 높습니다. 대조적으로 해석 결과의 열 구배 크기는 경계를 따라 균일합니다. 두 시뮬레이션 결과 모두 그림 8 (a1) 및 (a2) 에서 응고가 용융 풀의 상단 중심선을 향해 진행됨에 따라 열 구배가 점차 감소합니다 . 응고율은 그림 8 과 같이 경계 근처에서 거의 0입니다. (b1) 및 (b2). 이는 경계 영역이 응고되기 시작할 때 국부 응고 전면의 법선 방향이 레이저 스캐닝 방향에 수직이기 때문입니다. 이것은 드라이브θ → π/ 2θ→파이/2그리고V티→ 0V티→0식에서 [ 3 ]. 대조적으로 용융 풀의 상단 중심선 근처 영역에서 응고 전면의 법선 방향은 레이저 스캐닝 방향과 잘 정렬되어 있습니다.θ → 0θ→0그리고V티→ 브이V티→V, 빔 스캐닝 속도. G 와 _V티V티값이 얻어지면 냉각 속도지 ×V티G×V티및 형태 인자지 /V티G/V티계산할 수 있습니다. 그림 8 (c2)는 용융 풀 바닥 근처의 온도 구배가 매우 높고 상단에서 더 빠른 성장 속도로 인해 냉각 속도가 용융 풀의 바닥 및 상단 중심선 근처에서 더 높다는 것을 보여줍니다. 지역. 그러나 이러한 추세는 그림 8 (c1)에 캡처되지 않았습니다. 그림 8 의 형태 요인 (d1) 및 (d2)는 중심선에 접근함에 따라 눈에 띄게 감소합니다. 경계에서 큰 값은 열 구배를 거의 0인 성장 속도로 나누기 때문에 발생합니다. 이 높은 형태 인자는 주상 미세구조 형성 가능성이 높음을 시사하는 반면, 중앙 영역의 값이 낮을수록 등축 미세구조의 가능성이 더 크다는 것을 나타냅니다. Tanet al. 또한 키홀 모양의 용접 풀 [ 59 ] 에서 이러한 응고 매개변수의 분포 를 비슷한 일반적인 경향으로 보여주었습니다. 그림 3 에서 볼 수 있듯이 용융 풀의 상단 중심선에 있는 흩어진 입자는 낮은 특징을 나타내는 영역과 일치합니다.지 /V티G/V티그림 8 (d1) 및 (d2)의 값. 시뮬레이션과 실험 간의 이러한 일치는 용융 풀의 상단 중심선에 축적된 흩어진 입자의 핵 생성 및 성장이 등온선 속도의 증가와 온도 구배의 감소에 의해 촉진됨을 보여줍니다.
그림 9
그림 9 는 유체 속도 및 국부적 핵형성 성향을 보여줍니다.ΦΦ300W의 일정한 레이저 출력과 400, 800 및 1200mm/s의 세 가지 다른 레이저 속도에 의해 생성된 3D 용융 풀 전체에 걸쳐. 그림 9 (d)~(f)는 로컬ΦΦ해당 3D 보기에서 밝은 회색 평면으로 표시된 특정 yz 단면의 분포. 이 yz 섹션은 가장 높기 때문에 선택되었습니다.Φ¯¯¯¯Φ¯용융 풀 내의 값은 각각 23.40, 11.85 및 2.45pct입니다. 이들은 그림 3 의 실험 데이터와 비교하기에 적절하지 않을 수 있는 액체 용융 풀의 과도 값이며Φ¯¯¯¯Φ¯그림 6 의 값은 이 값이 고체-액체 계면에 가깝지 않고 용융 풀의 중간에서 취해졌기 때문입니다. 온도가 훨씬 낮아서 핵이 생존하고 성장할 수 있기 때문에 핵 형성은 용융 풀의 중간이 아닌 고체-액체 계면에 더 가깝게 발생할 가능성이 있습니다.
그림 3 (a), (d), (g), (h)에서 위쪽 중심선에서 멀리 떨어져 있는 흩어진 결정립이 있었습니다. 그들은 훨씬 더 높은 열 구배와 더 낮은 응고 속도 필드에 위치하기 때문에 과냉각 이론은 이러한 영역에서 표류 입자의 형성에 대한 만족스러운 설명이 아닙니다. 이것은 떠돌이 결정립의 형성을 야기할 수 있는 두 번째 메커니즘, 즉 수상돌기의 팁을 가로지르는 유체 흐름에 의해 유발되는 수상돌기 조각화를 고려하도록 동기를 부여합니다. 유체 흐름이 열 구배를 따라 속도 성분을 갖고 고체-액체 계면 속도보다 클 때, 주상 수상돌기의 국지적 재용융은 용질이 풍부한 액체가 흐물흐물한 구역의 깊은 곳에서 액상선 등온선까지 이동함으로써 발생할 수 있습니다. . [ 55] 분리된 수상돌기는 대류에 의해 열린 액체로 운반될 수 있습니다. 풀이 과냉각 상태이기 때문에 이러한 파편은 고온 조건에서 충분히 오래 생존하여 길 잃은 입자의 핵 생성 사이트로 작용할 수 있습니다. 결과적으로 수상 돌기 조각화 과정은 활성 핵의 수를 효과적으로 증가시킬 수 있습니다.N0N0) 용융 풀 [ 15 , 60 , 61 ] 에서 생성된 미세 구조에서 표류 입자의 면적을 증가시킵니다.
그림 9 (a) 및 (b)에서 반동 압력은 용융 유체를 아래쪽으로 흐르게 하여 결과 흐름을 지배합니다. 유체 속도의 역방향 요소는 V = 400 및 800mm/s에 대해 각각 최대값 1.0 및 1.6m/s로 더 느려집니다 . 그림 9 (c)에서 레이저 속도가 더 증가함에 따라 증기 침하가 더 얕고 넓어지고 반동 압력이 더 고르게 분포되어 증기 침강에서 주변 영역으로 유체를 밀어냅니다. 역류는 최대값 3.5m/s로 더 빨라집니다. 용융 풀의 최대 너비에서 yz 단면 의 키홀 아래 평균 유체 속도는 그림에 표시된 경우에 대해 0.46, 0.45 및 1.44m/s입니다.9 (a), (b) 및 (c). 키홀 깊이의 변동은 각 경우의 최대 깊이와 최소 깊이의 차이로 정의되는 크기로 정량화됩니다. 240 범위의 강한 증기 내림 변동 μμm은 그림 9 (a)의 V = 400mm/s 경우에서 발견 되지만 이 변동은 그림 9 (c)에서 16의 범위로 크게 감소합니다.μμ미디엄. V = 400mm/s인 경우 의 유체장과 높은 변동 범위는 이전 키홀 동역학 시뮬레이션과 일치합니다. [ 34 ]
따라서 V = 400mm/s 키홀 케이스의 무질서한 변동 흐름이 용융 풀 경계를 따라 응고된 주상 수상돌기에서 분리된 조각을 구동할 가능성이 있습니다. V = 1200mm/s의 경우 강한 역류 는 그림 3 에서 관찰되지 않았지만 동일한 효과를 가질 수 있습니다. . 덴드라이트 조각화에 대한 유체 유동장의 영향에 대한 이 경험적 설명은 용융 풀 경계 근처에 떠돌이 입자의 존재에 대한 그럴듯한 설명을 제공합니다. 분명히 하기 위해, 우리는 이 가설을 검증하기 위해 이 현상에 대한 직접적인 실험적 관찰을 하지 않았습니다. 이 작업에서 표유 입자 면적 분율을 계산할 때 단순화를 위해 핵 생성 모델링에 일정한 핵 생성 수 밀도가 적용되었습니다. 이는 그림 9 의 표류 입자 영역 비율 이 수지상정 조각화가 발생하는 경우 이러한 높은 유체 흐름 용융 풀에서 발생할 수 있는 것, 즉 강화된 핵 생성 밀도를 반영하지 않는다는 것을 의미합니다.
위의 이유로 핵 형성에 대한 수상 돌기 조각화의 영향을 아직 배제할 수 없습니다. 그러나 단편화 이론은 용접 문헌 [ 62 ] 에서 검증될 만큼 충분히 개발되지 않았 으므로 부차적인 중요성만 고려된다는 점에 유의해야 합니다. 1200mm/s를 초과하는 레이저 스캐닝 속도는 최소한의 표류 결정립 면적 분율을 가지고 있음에도 불구하고 분명한 볼링을 나타내기 때문에 단결정 수리 및 AM 처리에 적합하지 않습니다. 따라서 낮은 P 및 높은 V 에 의해 생성된 응고 전면 근처에서 키홀 변동이 최소화되고 유체 속도가 완만해진 용융 풀이 생성된다는 결론을 내릴 수 있습니다., 처리 창의 극한은 아니지만 흩어진 입자를 나타낼 가능성이 가장 적습니다.
마지막으로 단일 레이저 트랙의 응고 거동을 조사하면 에피택셜 성장 동안 표류 입자 형성을 더 잘 이해할 수 있다는 점에 주목하는 것이 중요합니다. 우리의 현재 결과는 최적의 레이저 매개변수에 대한 일반적인 지침을 제공하여 최소 스트레이 그레인을 달성하고 단결정 구조를 유지합니다. 이 가이드라인은 250W 정도의 전력과 600~800mm/s의 스캔 속도로 최소 흩어진 입자에 적합한 공정 창을 제공합니다. 각 처리 매개변수를 신중하게 선택하면 과거에 스테인리스강에 대한 거의 단결정 미세 구조를 인쇄하는 데 성공했으며 이는 CMSX-4 AM 빌드에 대한 가능성을 보여줍니다. [ 63 ]신뢰성을 보장하기 위해 AM 수리 프로세스를 시작하기 전에 보다 엄격한 실험 테스트 및 시뮬레이션이 여전히 필요합니다. 둘 이상의 레이저 트랙 사이의 상호 작용도 고려해야 합니다. 또한 레이저, CMSX-4 분말 및 벌크 재료 간의 상호 작용이 중요하며, 수리 중에 여러 층의 CMSX-4 재료를 축적해야 하는 경우 다른 스캔 전략의 효과도 중요한 역할을 할 수 있습니다. 분말이 포함된 경우 Lopez-Galilea 등 의 연구에서 제안한 바와 같이 분말이 주로 완전히 녹지 않았을 때 추가 핵 생성 사이트를 도입하기 때문에 단순히 레이저 분말과 속도를 조작하여 흩어진 입자 형성을 완화하기 어려울 수 있습니다 . [ 22 ]결과적으로 CMSX-4 단결정을 수리하기 위한 레이저 AM의 가능성을 다루기 위해서는 기판 재료, 레이저 출력, 속도, 해치 간격 및 층 두께의 조합을 모두 고려해야 하며 향후 연구에서 다루어야 합니다. CFD 모델링은 2개 이상의 레이저 트랙 사이의 상호작용과 열장에 미치는 영향을 통합할 수 있으며, 이는 AM 빌드 시나리오 동안 핵 생성 조건으로 단일 비드 연구의 지식 격차를 해소할 것입니다.
결론
LPBF 제조의 특징적인 조건 하에서 CMSX-4 단결정 의 에피택셜(기둥형) 대 등축 응고 사이의 경쟁을 실험적 및 이론적으로 모두 조사했습니다. 이 연구는 고전적인 응고 개념을 도입하여 빠른 레이저 용융의 미세 구조 특징을 설명하고 응고 조건과 표유 결정 성향을 예측하기 위해 해석적 및 수치적 고충실도 CFD 열 모델 간의 비교를 설명했습니다. 본 연구로부터 다음과 같은 주요 결론을 도출할 수 있다.
단일 레이저 트랙의 레이저 가공 조건은 용융 풀 형상, 레이저 흡수율, 유체 흐름 및 키홀 요동, 입자 구조 및 표류 입자 형성 민감성에 강한 영향을 미치는 것으로 밝혀졌습니다.
레이저 용접을 위해 개발된 이론적인 표유 결정립 핵형성 분석이 레이저 용융 AM 조건으로 확장되었습니다. 분석 모델링 결과와 단일 레이저 트랙의 미세구조 특성화를 비교하면 예측이 전도 및 볼링 조건에서 실험적 관찰과 잘 일치하는 반면 키홀 조건에서는 예측이 약간 과소하다는 것을 알 수 있습니다. 이러한 불일치는 레이저 트랙의 대표성이 없는 섹션이나 유체 속도 필드의 변화로 인해 발생할 수 있습니다. CFD 모델에서 추출한 열장에 동일한 표유 입자 계산 파이프라인을 적용하면 연구된 모든 사례에서 과대평가가 발생하지만 분석 모델보다 연장된 용융 풀의 실험 데이터와 더 정확하게 일치합니다.
이 연구에서 두 가지 표류 결정립 형성 메커니즘인 불균일 핵형성 및 수상돌기 조각화가 평가되었습니다. 우리의 결과는 불균일 핵형성이 용융 풀의 상단 중심선에서 새로운 결정립의 형성으로 이어지는 주요 메커니즘임을 시사합니다.지 /V티G/V티정권.
용융 풀 경계 근처의 흩어진 입자는 깊은 키홀 모양의 용융 풀에서 독점적으로 관찰되며, 이는 강한 유체 흐름으로 인한 수상 돌기 조각화의 영향이 이러한 유형의 용융 풀에서 고려하기에 충분히 강력할 수 있음을 시사합니다.
일반적으로 더 높은 레이저 스캐닝 속도와 더 낮은 전력 외에도 안정적인 키홀과 최소 유체 속도는 또한 흩어진 입자 형성을 완화하고 레이저 단일 트랙에서 에피택셜 성장을 보존합니다.
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TianLiabJ.M.T.DaviesaXiangzhenZhuc aUniversity of Birmingham, Birmingham B15 2TT, United Kingdom bGrainger and Worrall Ltd, Bridgnorth WV15 5HP, United Kingdom cBrunel Centre for Advanced Solidification Technology, Brunel University London, Kingston Ln, London, Uxbridge UB8 3PH, United Kingdom
Abstract
An entrainment defect (also known as a double oxide film defect or bifilm) acts a void containing an entrapped gas when submerged into a light-alloy melt, thus reducing the quality and reproducibility of the final castings. Previous publications, carried out with Al-alloy castings, reported that this trapped gas could be subsequently consumed by the reaction with the surrounding melt, thus reducing the void volume and negative effect of entrainment defects. Compared with Al-alloys, the entrapped gas within Mg-alloy might be more efficiently consumed due to the relatively high reactivity of magnesium. However, research into the entrainment defects within Mg alloys has been significantly limited. In the present work, AZ91 alloy castings were produced under different carrier gas atmospheres (i.e., SF6/CO2, SF6/air). The evolution processes of the entrainment defects contained in AZ91 alloy were suggested according to the microstructure inspections and thermodynamic calculations. The defects formed in the different atmospheres have a similar sandwich-like structure, but their oxide films contained different combinations of compounds. The use of carrier gases, which were associated with different entrained-gas consumption rates, affected the reproducibility of AZ91 castings.
연행 결함(이중 산화막 결함 또는 이중막이라고도 함)은 경합금 용융물에 잠길 때 갇힌 가스를 포함하는 공극으로 작용하여 최종 주물의 품질과 재현성을 저하시킵니다. Al-합금 주물을 사용하여 수행된 이전 간행물에서는 이 갇힌 가스가 주변 용융물과의 반응에 의해 후속적으로 소모되어 공극 부피와 연행 결함의 부정적인 영향을 줄일 수 있다고 보고했습니다. Al-합금에 비해 마그네슘의 상대적으로 높은 반응성으로 인해 Mg-합금 내에 포집된 가스가 더 효율적으로 소모될 수 있습니다. 그러나 Mg 합금 내 연행 결함에 대한 연구는 상당히 제한적이었습니다. 현재 작업에서 AZ91 합금 주물은 다양한 캐리어 가스 분위기(즉, SF6/CO2, SF6/공기)에서 생산되었습니다. AZ91 합금에 포함된 연행 결함의 진화 과정은 미세 조직 검사 및 열역학 계산에 따라 제안되었습니다. 서로 다른 분위기에서 형성된 결함은 유사한 샌드위치 구조를 갖지만 산화막에는 서로 다른 화합물 조합이 포함되어 있습니다. 다른 동반 가스 소비율과 관련된 운반 가스의 사용은 AZ91 주물의 재현성에 영향을 미쳤습니다.
As the lightest structural metal available on Earth, magnesium became one of the most attractive light metals over the last few decades. The magnesium industry has consequently experienced a rapid development in the last 20 years [1,2], indicating a large growth in demand for Mg alloys all over the world. Nowadays, the use of Mg alloys can be found in the fields of automobiles, aerospace, electronics and etc.[3,4]. It has been predicted that the global consumption of Mg metals will further increase in the future, especially in the automotive industry, as the energy efficiency requirement of both traditional and electric vehicles further push manufactures lightweight their design [3,5,6].
The sustained growth in demand for Mg alloys motivated a wide interest in the improvement of the quality and mechanical properties of Mg-alloy castings. During a Mg-alloy casting process, surface turbulence of the melt can lead to the entrapment of a doubled-over surface film containing a small quantity of the surrounding atmosphere, thus forming an entrainment defect (also known as a double oxide film defect or bifilm) [7], [8], [9], [10]. The random size, quantity, orientation, and placement of entrainment defects are widely accepted to be significant factors linked to the variation of casting properties [7]. In addition, Peng et al. [11] found that entrained oxides films in AZ91 alloy melt acted as filters to Al8Mn5 particles, trapping them as they settle. Mackie et al. [12] further suggested that entrained oxide films can act to trawl the intermetallic particles, causing them to cluster and form extremely large defects. The clustering of intermetallic compounds made the entrainment defects more detrimental for the casting properties.
Most of the previous studies regarding entrainment defects were carried out on Al-alloys [7,[13], [14], [15], [16], [17], [18], and a few potential methods have been suggested for diminishing their negative effect on the quality of Al-alloy castings. Nyahumwa et al.,[16] shows that the void volume within entrainment defects could be reduced by a hot isostatic pressing (HIP) process. Campbell [7] suggested the entrained gas within the defects could be consumed due to reaction with the surrounding melt, which was further verified by Raiszedeh and Griffiths [19].The effect of the entrained gas consumption on the mechanical properties of Al-alloy castings has been investigated by [8,9], suggesting that the consumption of the entrained gas promoted the improvement of the casting reproducibility.
Compared with the investigation concerning the defects within Al-alloys, research into the entrainment defects within Mg-alloys has been significantly limited. The existence of entrainment defects has been demonstrated in Mg-alloy castings [20,21], but their behaviour, evolution, as well as entrained gas consumption are still not clear.
In a Mg-alloy casting process, the melt is usually protected by a cover gas to avoid magnesium ignition. The cavities of sand or investment moulds are accordingly required to be flushed with the cover gas prior to the melt pouring [22]. Therefore, the entrained gas within Mg-alloy castings should contain the cover gas used in the casting process, rather than air only, which may complicate the structure and evolution of the corresponding entrainment defects.
SF6 is a typical cover gas widely used for Mg-alloy casting processes [23], [24], [25]. Although this cover gas has been restricted to use in European Mg-alloy foundries, a commercial report has pointed out that this cover is still popular in global Mg-alloy industry, especially in the countries which dominated the global Mg-alloy production, such as China, Brazil, India, etc. [26]. In addition, a survey in academic publications also showed that this cover gas was widely used in recent Mg-alloy studies [27]. The protective mechanism of SF6 cover gas (i.e., the reaction between liquid Mg-alloy and SF6 cover gas) has been investigated by several previous researchers, but the formation process of the surface oxide film is still not clearly understood, and even some published results are conflicting with each other. In early 1970s, Fruehling [28] found that the surface film formed under SF6 was MgO mainly with traces of fluorides, and suggested that SF6 was absorbed in the Mg-alloy surface film. Couling [29] further noticed that the absorbed SF6 reacted with the Mg-alloy melt to form MgF2. In last 20 years, different structures of the Mg-alloy surface films have been reported, as detailed below.(1)
Single-layered film. Cashion [30,31] used X-ray Photoelectron Spectroscopy (XPS) and Auger Spectroscopy (AES) to identify the surface film as MgO and MgF2. He also found that composition of the film was constant throughout the thickness and the whole experimental holding time. The film observed by Cashion had a single-layered structure created from a holding time from 10 min to 100 min.(2)
Double-layered film. Aarstad et. al [32] reported a doubled-layered surface oxide film in 2003. They observed several well-distributed MgF2 particles attached to the preliminary MgO film and grew until they covered 25–50% of the total surface area. The inward diffusion of F through the outer MgO film was the driving force for the evolution process. This double-layered structure was also supported by Xiong’s group [25,33] and Shih et al. [34].(3)
Triple-layered film. The triple-layered film and its evolution process were reported in 2002 by Pettersen [35]. Pettersen found that the initial surface film was a MgO phase and then gradually evolved to the stable MgF2 phase by the inward diffusion of F. In the final stage, the film has a triple-layered structure with a thin O-rich interlayer between the thick top and bottom MgF2 layers.(4)
Oxide film consisted of discrete particles. Wang et al [36] stirred the Mg-alloy surface film into the melt under a SF6 cover gas, and then inspect the entrained surface film after the solidification. They found that the entrained surface films were not continues as the protective surface films reported by other researchers but composed of discrete particles. The young oxide film was composed of MgO nano-sized oxide particles, while the old oxide films consist of coarse particles (about 1 µm in average size) on one side that contained fluorides and nitrides.
The oxide films of a Mg-alloy melt surface or an entrained gas are both formed due to the reaction between liquid Mg-alloy and the cover gas, thus the above-mentioned research regarding the Mg-alloy surface film gives valuable insights into the evolution of entrainment defects. The protective mechanism of SF6 cover gas (i.e., formation of a Mg-alloy surface film) therefore indicated a potential complicated evolution process of the corresponding entrainment defects.
However, it should be noted that the formation of a surface film on a Mg-alloy melt is in a different situation to the consumption of an entrained gas that is submerged into the melt. For example, a sufficient amount of cover gas was supported during the surface film formation in the studies previously mentioned, which suppressed the depletion of the cover gas. In contrast, the amount of entrained gas within a Mg-alloy melt is finite, and the entrained gas may become fully depleted. Mirak [37] introduced 3.5%SF6/air bubbles into a pure Mg-alloy melt solidifying in a specially designed permanent mould. It was found that the gas bubbles were entirely consumed, and the corresponding oxide film was a mixture of MgO and MgF2. However, the nucleation sites (such as the MgF2 spots observed by Aarstad [32] and Xiong [25,33]) were not observed. Mirak also speculated that the MgF2 formed prior to MgO in the oxide film based on the composition analysis, which was opposite to the surface film formation process reported in previous literatures (i.e., MgO formed prior to MgF2). Mirak’s work indicated that the oxide-film formation of an entrained gas may be quite different from that of surface films, but he did not reveal the structure and evolution of the oxide films.
In addition, the use of carrier gas in the cover gases also influenced the reaction between the cover gas and the liquid Mg-alloy. SF6/air required a higher content of SF6 than did a SF6/CO2 carrier gas [38], to avoid the ignition of molten magnesium, revealing different gas-consumption rates. Liang et.al [39] suggested that carbon was formed in the surface film when CO2 was used as a carrier gas, which was different from the films formed in SF6/air. An investigation into Mg combustion [40] reported a detection of Mg2C3 in the Mg-alloy sample after burning in CO2, which not only supported Liang’s results, but also indicated a potential formation of Mg carbides in double oxide film defects.
The work reported here is an investigation into the behaviour and evolution of entrainment defects formed in AZ91 Mg-alloy castings, protected by different cover gases (i.e., SF6/air and SF6/CO2). These carrier gases have different protectability for liquid Mg alloy, which may be therefore associated with different consumption rates and evolution processes of the corresponding entrained gases. The effect of the entrained-gas consumption on the reproducibility of AZ91 castings was also studied.
2. Experiment
2.1. Melting and casting
Three kilograms AZ91 alloy was melted in a mild steel crucible at 700 ± 5 °C. The composition of the AZ91 alloy has been shown in Table 1. Prior to heating, all oxide scale on the ingot surface was removed by machining. The cover gases used were 0.5%SF6/air or 0.5%SF6/CO2 (vol.%) at a flow rate of 6 L/min for different castings. The melt was degassed by argon with a flow rate of 0.3 L/min for 15 min [41,42], and then poured into sand moulds. Prior to pouring, the sand mould cavity was flushed with the cover gas for 20 min [22]. The residual melt (around 1 kg) was solidified in the crucible.
Table 1. Composition (wt.%) of the AZ91 alloy used in this study.
Al
Zn
Mn
Si
Fe
Ni
Mg
9.4
0.61
0.15
0.02
0.005
0.0017
Residual
Fig. 1(a) shows the dimensions of the casting with runners. A top-filling system was deliberately used to generate entrainment defects in the final castings. Green and Campbell [7,43] suggested that a top-filling system caused more entrainment events (i.e., bifilms) during a casting process, compared with a bottom-filling system. A melt flow simulation (Flow-3D software) of this mould, using Reilly’s model [44] regarding the entrainment events, also predicted that a large amount of bifilms would be contained in the final casting (denoted by the black particles in Fig. 1b).
Shrinkage defects also affect the mechanical properties and reproducibility of castings. Since this study focused on the effect of bifilms on the casting quality, the mould has been deliberately designed to avoid generating shrinkage defects. A solidification simulation using ProCAST software showed that no shrinkage defect would be contained in the final casting, as shown in Fig. 1c. The casting soundness has also been confirmed using a real time X-ray prior to the test bar machining.
The sand moulds were made from resin-bonded silica sand, containing 1wt. % PEPSET 5230 resin and 1wt. % PEPSET 5112 catalyst. The sand also contained 2 wt.% Na2SiF6 to act as an inhibitor [45]. The pouring temperature was 700 ± 5 °C. After the solidification, a section of the runner bars was sent to the Sci-Lab Analytical Ltd for a H-content analysis (LECO analysis), and all the H-content measurements were carried out on the 5th day after the casting process. Each of the castings was machined into 40 test bars for a tensile strength test, using a Zwick 1484 tensile test machine with a clip extensometer. The fracture surfaces of the broken test bars were examined using Scanning Electron Microscope (SEM, Philips JEOL7000) with an accelerating voltage of 5–15 kV. The fractured test bars, residual Mg-alloy solidified in the crucible, and the casting runners were then sectioned, polished and also inspected using the same SEM. The cross-section of the oxide film found on the test-bar fracture surface was exposed by the Focused Ion Beam milling technique (FIB), using a CFEI Quanta 3D FEG FIB-SEM. The oxide film required to be analysed was coated with a platinum layer. Then, a gallium ion beam, accelerated to 30 kV, milled the material substrate surrounding the platinum coated area to expose the cross section of the oxide film. EDS analysis of the oxide film’s cross section was carried out using the FIB equipment at accelerating voltage of 30 kV.
2.2. Oxidation cell
As previously mentioned, several past researchers investigated the protective film formed on a Mg-alloy melt surface [38,39,[46], [47], [48], [49], [50], [51], [52]. During these experiments, the amount of cover gas used was sufficient, thus suppressing the depletion of fluorides in the cover gas. The experiment described in this section used a sealed oxidation cell, which limited the supply of cover gas, to study the evolution of the oxide films of entrainment defects. The cover gas contained in the oxidation cell was regarded as large-size “entrained bubble”.
As shown in Fig. 2, the main body of the oxidation cell was a closed-end mild steel tube which had an inner length of 400 mm, and an inner diameter of 32 mm. A water-cooled copper tube was wrapped around the upper section of the cell. When the tube was heated, the cooling system created a temperature difference between the upper and lower sections, causing the interior gas to convect within the tube. The temperature was monitored by a type-K thermocouple located at the top of the crucible. Nie et al. [53] suggested that the SF6 cover gas would react with the steel wall of the holding furnace when they investigated the surface film of a Mg-alloy melt. To avoid this reaction, the interior surface of the steel oxidation cell (shown in Fig. 2) and the upper half section of the thermocouple were coated with boron nitride (the Mg-alloy was not in contact with boron nitride).
During the experiment, a block of solid AZ91 alloy was placed in a magnesia crucible located at the bottom of the oxidation cell. The cell was heated to 100 °C in an electric resistance furnace under a gas flow rate of 1 L/min. The cell was held at this temperature for 20 min, to replace the original trapped atmosphere (i.e. air). Then, the oxidation cell was further heated to 700 °C, melting the AZ91 sample. The gas inlet and exit valves were then closed, creating a sealed environment for oxidation under a limited supply of cover gas. The oxidation cell was then held at 700 ± 10 °C for periods of time from 5 min to 30 min in 5-min intervals. At the end of each holding time, the cell was quenched in water. After cooling to room temperature, the oxidised sample was sectioned, polished, and subsequently examined by SEM.
3. Results
3.1. Structure and composition of the entrainment defects formed in SF6/air
The structure and composition of the entrainment defect formed in the AZ91 castings under a cover gas of 0.5%SF6/air was observed by SEM and EDS. The results indicate that there exist two types of entrainment defects which are sketched in Fig. 3: (1) Type A defect whose oxide film has a traditional single-layered structure and (2) Type B defect, whose oxide film has two layers. The details of these defects were introduced in the following. Here it should be noticed that, as the entrainment defects are also known as biofilms or double oxide film, the oxide films of Type B defect were referred to as “multi-layered oxide film” or “multi-layered structure” in the present work to avoid a confusing description such as “the double-layered oxide film of a double oxide film defect”.
Fig. 4(a-b) shows a Type A defect having a compact single-layered oxide film with about 0.4 µm thickness. Oxygen, fluorine, magnesium and aluminium were detected in this film (Fig. 4c). It is speculated that oxide film is the mixture of fluoride and oxide of magnesium and aluminium. The detection of fluorine revealed that an entrained cover gas was contained in the formation of this defect. That is to say that the pores shown in Fig. 4(a) were not shrinkage defects or hydrogen porosity, but entrainment defects. The detection of aluminium was different with Xiong and Wang’s previous study [47,48], which showed that no aluminium was contained in their surface film of an AZ91 melt protected by a SF6 cover gas. Sulphur could not be clearly recognized in the element map, but there was a S-peak in the corresponding ESD spectrum.
Fig. 5(a-b) shows a Type B entrainment defect having a multi-layered oxide film. The compact outer layers of the oxide films were enriched with fluorine and oxygen (Fig. 5c), while their relatively porous inner layers were only enriched with oxygen (i.e., poor in fluorine) and partly grew together, thus forming a sandwich-like structure. Therefore, it is speculated that the outer layer is the mixture of fluoride and oxide, while the inner layer is mainly oxide. Sulphur could only be recognized in the EDX spectrum and could not be clearly identified in the element map, which might be due to the small S-content in the cover gas (i.e., 0.5% volume content of SF6 in the cover gas). In this oxide film, aluminium was contained in the outer layer of this oxide film but could not be clearly detected in the inner layer. Moreover, the distribution of Al seems to be uneven. It can be found that, in the right side of the defect, aluminium exists in the film but its concentration can not be identified to be higher than the matrix. However, there is a small area with much higher aluminium concentration in the left side of the defect. Such an uneven distribution of aluminium was also observed in other defects (shown in the following), and it is the result of the formation of some oxide particles in or under the film.
Figs. 4 and 5 show cross sectional observations of the entrainment defects formed in the AZ91 alloy sample cast under a cover gas of SF6/air. It is not sufficient to characterize the entrainment defects only by the figures observed from the two-dimensional section. To have a further understanding, the surface of the entrainment defects (i.e. the oxide film) was further studied by observing the fracture surface of the test bars.
Fig. 6(a) shows fracture surfaces of an AZ91 alloy tensile test bar produced in SF6/air. Symmetrical dark regions can be seen on both sides of the fracture surfaces. Fig. 6(b) shows boundaries between the dark and bright regions. The bright region consisted of jagged and broken features, while the surface of the dark region was relatively smooth and flat. In addition, the EDS results (Fig. 6c-d and Table 2) show that fluorine, oxygen, sulphur, and nitrogen were only detected in the dark regions, indicating that the dark regions were surface protective films entrained into the melt. Therefore, it could be suggested that the dark regions were an entrainment defect with consideration of their symmetrical nature. Similar defects on fracture surfaces of Al-alloy castings have been previously reported [7]. Nitrides were only found in the oxide films on the test-bar fracture surfaces but never detected in the cross-sectional samples shown in Figs. 4 and 5. An underlying reason is that the nitrides contained in these samples may have hydrolysed during the sample polishing process [54].
Table 2. EDS results (wt.%) corresponding to the regions shown in Fig. 6 (cover gas: SF6/air).
In conjunction with the cross-sectional observation of the defects shown in Figs. 4 and 5, the structure of an entrainment defect contained in a tensile test bar was sketched as shown in Fig. 6(e). The defect contained an entrained gas enclosed by its oxide film, creating a void section inside the test bar. When the tensile force applied on the defect during the fracture process, the crack was initiated at the void section and propagated along the entrainment defect, since cracks would be propagated along the weakest path [55]. Therefore, when the test bar was finally fractured, the oxide films of entrainment defect appeared on both fracture surfaces of the test bar, as shown in Fig. 6(a).
3.2. Structure and composition of the entrainment defects formed in SF6/CO2
Similar to the entrainment defect formed in SF6/air, the defects formed under a cover gas of 0.5%SF6/CO2 also had two types of oxide films (i.e., single-layered and multi-layered types). Fig. 7(a) shows an example of the entrainment defects containing a multi-layered oxide film. A magnified observation to the defect (Fig. 7b) shows that the inner layers of the oxide films had grown together, presenting a sandwich-like structure, which was similar to the defects formed in an atmosphere of SF6/air (Fig. 5b). An EDS spectrum (Fig. 7c) revealed that the joint area (inner layer) of this sandwich-like structure mainly contained magnesium oxides. Peaks of fluorine, sulphur, and aluminium were recognized in this EDS spectrum, but their amount was relatively small. In contrast, the outer layers of the oxide films were compact and composed of a mixture of fluorides and oxides (Fig. 7d-e).
Fig. 8(a) shows an entrainment defect on the fracture surfaces of an AZ91 alloy tensile test bar, which was produced in an atmosphere of 0.5%SF6/CO2. The corresponding EDS results (Table 3) showed that oxide film contained fluorides and oxides. Sulphur and nitrogen were not detected. Besides, a magnified observation (Fig. 8b) indicated spots on the oxide film surface. The diameter of the spots ranged from hundreds of nanometres to a few micron meters.
To further reveal the structure and composition of the oxide film clearly, the cross-section of the oxide film on a test-bar fracture surface was onsite exposed using the FIB technique (Fig. 9). As shown in Fig. 9a, a continuous oxide film was found between the platinum coating layer and the Mg-Al alloy substrate. Fig. 9 (b-c) shows a magnified observation to oxide films, indicating a multi-layered structure (denoted by the red box in Fig. 9c). The bottom layer was enriched with fluorine and oxygen and should be the mixture of fluoride and oxide, which was similar to the “outer layer” shown in Figs. 5 and 7, while the only-oxygen-enriched top layer was similar to the “inner layer” shown in Figs. 5 and 7.
Except the continuous film, some individual particles were also observed in or below the continuous film, as shown in Fig. 9. An Al-enriched particle was detected in the left side of the oxide film shown in Fig. 9b and might be speculated to be spinel Mg2AlO4 because it also contains abundant magnesium and oxygen elements. The existing of such Mg2AlO4 particles is responsible for the high concentration of aluminium in small areas of the observed film and the uneven distribution of aluminium, as shown in Fig. 5(c). Here it should be emphasized that, although the other part of the bottom layer of the continuous oxide film contains less aluminium than this Al-enriched particle, the Fig. 9c indicated that the amount of aluminium in this bottom layer was still non-negligible, especially when comparing with the outer layer of the film. Below the right side of the oxide film shown in Fig. 9b, a particle was detected and speculated to be MgO because it is rich in Mg and O. According to Wang’s result [56], lots of discrete MgO particles can be formed on the surface of the Mg melt by the oxidation of Mg melt and Mg vapor. The MgO particles observed in our present work may be formed due to the same reasons. While, due to the differences in experimental conditions, less Mg melt can be vapored or react with O2, thus only a few of MgO particles formed in our work. An enrichment of carbon was also found in the film, revealing that CO2 was able to react with the melt, thus forming carbon or carbides. This carbon concentration was consistent with the relatively high carbon content of the oxide film shown in Table 3 (i.e., the dark region). In the area next to the oxide film.
Table 3. EDS results (wt.%) corresponding to the regions shown in Fig. 8 (cover gas: SF6/ CO2).
This cross-sectional observation of the oxide film on a test bar fracture surface (Fig. 9) further verified the schematic of the entrainment defect shown in Fig. 6(e). The entrainment defects formed in different atmospheres of SF6/CO2 and SF6/air had similar structures, but their compositions were different.
3.3. Evolution of the oxide films in the oxidation cell
The results in Section 3.1 and 3.2 have shown the structures and compositions of entrainment defects formed in AZ91 castings under cover gases of SF6/air and SF6/CO2. Different stages of the oxidation reaction may lead to the different structures and compositions of entrainment defects. Although Campbell has conjectured that an entrained gas may react with the surrounding melt, it is rarely reported that the reaction occurring between the Mg-alloy melt and entrapped cover gas. Previous researchers normally focus on the reaction between a Mg-alloy melt and the cover gas in an open environment [38,39,[46], [47], [48], [49], [50], [51], [52], which was different from the situation of a cover gas trapped into the melt. To further understand the formation of the entrainment defect in an AZ91 alloy, the evolution process of oxide films of the entrainment defect was further studied using an oxidation cell.
Fig. 10 (a and d) shows a surface film held for 5 min in the oxidation cell, protected by 0.5%SF6/air. There was only one single layer consisting of fluoride and oxide (MgF2 and MgO). In this surface film. Sulphur was detected in the EDS spectrum, but its amount was too small to be recognized in the element map. The structure and composition of this oxide film was similar to the single-layered films of entrainment defects shown in Fig. 4.
After a holding time of 10 min, a thin (O, S)-enriched top layer (around 700 nm) appeared upon the preliminary F-enriched film, forming a multi-layered structure, as shown in Fig. 10(b and e). The thickness of the (O, S)-enriched top layer increased with increased holding time. As shown in Fig. 10(c and f), the oxide film held for 30 min also had a multi-layered structure, but the thickness of its (O, S)-enriched top layer (around 2.5 µm) was higher than the that of the 10-min oxide film. The multi-layered oxide films shown in Fig. 10(b-c) presented a similar appearance to the films of the sandwich-like defect shown in Fig. 5.
The different structures of the oxide films shown in Fig. 10 indicated that fluorides in the cover gas would be preferentially consumed due to the reaction with the AZ91 alloy melt. After the depletion of fluorides, the residual cover gas reacted further with the liquid AZ91 alloy, forming the top (O, S)-enriched layer in the oxide film. Therefore, the different structures and compositions of entrainment defects shown in Figs. 4 and 5 may be due to an ongoing oxidation reaction between melt and entrapped cover gas.
This multi-layered structure has not been reported in previous publications concerning the protective surface film formed on a Mg-alloy melt [38,[46], [47], [48], [49], [50], [51]. This may be due to the fact that previous researchers carried out their experiments with an un-limited amount of cover gas, creating a situation where the fluorides in the cover gas were not able to become depleted. Therefore, the oxide film of an entrainment defect had behaviour traits similar to the oxide films shown in Fig. 10, but different from the oxide films formed on the Mg-alloy melt surface reported in [38,[46], [47], [48], [49], [50], [51].
Similar with the oxide films held in SF6/air, the oxide films formed in SF6/CO2 also had different structures with different holding times in the oxidation cell. Fig. 11(a) shows an oxide film, held on an AZ91 melt surface under a cover gas of 0.5%SF6/CO2 for 5 min. This film had a single-layered structure consisting of MgF2. The existence of MgO could not be confirmed in this film. After the holding time of 30 min, the film had a multi-layered structure; the inner layer was of a compact and uniform appearance and composed of MgF2, while the outer layer is the mixture of MgF2 and MgO. Sulphur was not detected in this film, which was different from the surface film formed in 0.5%SF6/air. Therefore, fluorides in the cover gas of 0.5%SF6/CO2 were also preferentially consumed at an early stage of the film growth process. Compared with the film formed in SF6/air, the MgO in film formed in SF6/CO2 appeared later and sulphide did not appear within 30 min. It may mean that the formation and evolution of film in SF6/air is faster than SF6/CO2. CO2 may have subsequently reacted with the melt to form MgO, while sulphur-containing compounds accumulated in the cover gas and reacted to form sulphide in very late stage (may after 30 min in oxidation cell).
4. Discussion
4.1. Evolution of entrainment defects formed in SF6/air
HSC software from Outokumpu HSC Chemistry for Windows (http://www.hsc-chemistry.net/) was used to carry out thermodynamic calculations needed to explore the reactions which might occur between the trapped gases and liquid AZ91 alloy. The solutions to the calculations suggest which products are most likely to form in the reaction process between a small amount of cover gas (i.e., the amount within a trapped bubble) and the AZ91-alloy melt.
In the trials, the pressure was set to 1 atm, and the temperature set to 700 °C. The amount of the cover gas was assumed to be 7 × 10−7 kg, with a volume of approximately 0.57 cm3 (3.14 × 10−8 kmol) for 0.5%SF6/air, and 0.35 cm3 (3.12 × 10−8 kmol) for 0.5%SF6/CO2. The amount of the AZ91 alloy melt in contact with the trapped gas was assumed to be sufficient to complete all reactions. The decomposition products of SF6 were SF5, SF4, SF3, SF2, F2, S(g), S2(g) and F(g) [57], [58], [59], [60].
Fig. 12 shows the equilibrium diagram of the thermodynamic calculation of the reaction between the AZ91 alloy and 0.5%SF6/air. In the diagram, the reactants and products with less than 10−15 kmol have not been shown, as this was 5 orders of magnitude less than the amount of SF6 present (≈ 1.57 × 10−10 kmol) and therefore would not affect the observed process in a practical way.
This reaction process could be divided into 3 stages.
Stage 1: The formation of fluorides. the AZ91 melt preferentially reacted with SF6 and its decomposition products, producing MgF2, AlF3, and ZnF2. However, the amount of ZnF2 may have been too small to be detected practically (1.25 × 10−12 kmol of ZnF2 compared with 3 × 10−10 kmol of MgF2), which may be the reason why Zn was not detected in any the oxide films shown in Sections 3.1–3.3. Meanwhile, sulphur accumulated in the residual gas as SO2.
Stage 2: The formation of oxides. After the liquid AZ91 alloy had depleted all the available fluorides in the entrapped gas, the amount of AlF3 and ZnF2 quickly reduced due to a reaction with Mg. O2(g) and SO2 reacted with the AZ91 melt, forming MgO, Al2O3, MgAl2O4, ZnO, ZnSO4 and MgSO4. However, the amount of ZnO and ZnSO4 would have been too small to be found practically by EDS (e.g. 9.5 × 10−12 kmol of ZnO,1.38 × 10−14 kmol of ZnSO4, in contrast to 4.68 × 10−10 kmol of MgF2, when the amount of AZ91 on the X-axis is 2.5 × 10−9 kmol). In the experimental cases, the concentration of F in the cover gas is very low, whole the concentration f O is much higher. Therefore, the stage 1 and 2, i.e, the formation of fluoride and oxide may happen simultaneously at the beginning of the reaction, resulting in the formation of a singer-layered mixture of fluoride and oxide, as shown in Figs. 4 and 10(a). While an inner layer consisted of oxides but fluorides could form after the complete depletion of F element in the cover gas.
Stages 1- 2 theoretically verified the formation process of the multi-layered structure shown in Fig. 10.
The amount of MgAl2O4 and Al2O3 in the oxide film was of a sufficient amount to be detected, which was consistent with the oxide films shown in Fig. 4. However, the existence of aluminium could not be recognized in the oxide films grown in the oxidation cell, as shown in Fig. 10. This absence of Al may be due to the following reactions between the surface film and AZ91 alloy melt:(1)
Mg + MgAl2O4 = MgO + Al, △G(700 °C) =-106.34 kJ/molwhich could not be simulated by the HSC software since the thermodynamic calculation was carried out under an assumption that the reactants were in full contact with each other. However, in a practical process, the AZ91 melt and the cover gas would not be able to be in contact with each other completely, due to the existence of the protective surface film.
Stage 3: The formation of Sulphide and nitride. After a holding time of 30 min, the gas-phase fluorides and oxides in the oxidation cell had become depleted, allowing the melt reaction with the residual gas, forming an additional sulphur-enriched layer upon the initial F-enriched or (F, O)-enriched surface film, thus resulting in the observed multi-layered structure shown in Fig. 10 (b and c). Besides, nitrogen reacted with the AZ91 melt until all reactions were completed. The oxide film shown in Fig. 6 may correspond to this reaction stage due to its nitride content. However, the results shows that the nitrides were not detected in the polished samples shown in Figs. 4 and 5, but only found on the test bar fracture surfaces. The nitrides may have hydrolysed during the sample preparation process, as follows [54]:(3)
Mg3N2 + 6H2O =3Mg(OH)2 + 2NH3↑(4)
AlN+ 3H2O =Al(OH)3 + NH3↑
In addition, Schmidt et al. [61] found that Mg3N2 and AlN could react to form ternary nitrides (Mg3AlnNn+2, n= 1, 2, 3…). HSC software did not contain the database of ternary nitrides, and it could not be added into the calculation. The oxide films in this stage may also contain ternary nitrides.
4.2. Evolution of entrainment defects formed in SF6/CO2
Fig. 13 shows the results of the thermodynamic calculation between AZ91 alloy and 0.5%SF6/CO2. This reaction processes can also be divided into three stages.
Stage 1: The formation of fluorides. SF6 and its decomposition products were consumed by the AZ91 melt, forming MgF2, AlF3, and ZnF2. As in the reaction of AZ91 in 0.5%SF6/air, the amount of ZnF2 was too small to be detected practically (1.51 × 10−13 kmol of ZnF2 compared with 2.67 × 10−10 kmol of MgF2). Sulphur accumulated in the residual trapped gas as S2(g) and a portion of the S2(g) reacted with CO2, to form SO2 and CO. The products in this reaction stage were consistent with the film shown in Fig. 11(a), which had a single layer structure that contained fluorides only.
Stage 2: The formation of oxides. AlF3 and ZnF2 reacted with the Mg in the AZ91 melt, forming MgF2, Al and Zn. The SO2 began to be consumed, producing oxides in the surface film and S2(g) in the cover gas. Meanwhile, the CO2 directly reacted with the AZ91 melt, forming CO, MgO, ZnO, and Al2O3. The oxide films shown in Figs. 9 and 11(b) may correspond to this reaction stage due to their oxygen-enriched layer and multi-layered structure.
The CO in the cover gas could further react with the AZ91 melt, producing C. This carbon may further react with Mg to form Mg carbides, when the temperature reduced (during solidification period) [62]. This may be the reason for the high carbon content in the oxide film shown in Figs. 8–9. Liang et al. [39] also reported carbon-detection in an AZ91 alloy surface film protected by SO2/CO2. The produced Al2O3 may be further combined with MgO, forming MgAl2O4[63]. As discussed in Section 4.1, the alumina and spinel can react with Mg, causing an absence of aluminium in the surface films, as shown in Fig. 11.
Stage 3: The formation of Sulphide. the AZ91 melt began to consume S2(g) in the residual entrapped gas, forming ZnS and MgS. These reactions did not occur until the last stage of the reaction process, which could be the reason why the S-content in the defect shown Fig. 7(c) was small.
In summary, thermodynamic calculations indicate that the AZ91 melt will react with the cover gas to form fluorides firstly, then oxides and sulphides in the last. The oxide film in the different reaction stages would have different structures and compositions.
4.3. Effect of the carrier gases on consumption of the entrained gas and the reproducibility of AZ91 castings
The evolution processes of entrainment defects, formed in SF6/air and SF6/CO2, have been suggested in Sections 4.1 and 4.2. The theoretical calculations were verified with respect to the corresponding oxide films found in practical samples. The atmosphere within an entrainment defect could be efficiently consumed due to the reaction with liquid Mg-alloy, in a scenario dissimilar to the Al-alloy system (i.e., nitrogen in an entrained air bubble would not efficiently react with Al-alloy melt [64,65], however, nitrogen would be more readily consumed in liquid Mg alloys, commonly referred to as “nitrogen burning” [66]).
The reaction between the entrained gas and the surrounding liquid Mg-alloy converted the entrained gas into solid compounds (e.g. MgO) within the oxide film, thus reducing the void volume of the entrainment defect and hence probably causing a collapse of the defect (e.g., if an entrained gas of air was depleted by the surrounding liquid Mg-alloy, under an assumption that the melt temperature is 700 °C and the depth of liquid Mg-alloy is 10 cm, the total volume of the final solid products would be 0.044% of the initial volume taken by the entrapped air).
The relationship between the void volume reduction of entrainment defects and the corresponding casting properties has been widely studied in Al-alloy castings. Nyahumwa and Campbell [16] reported that the Hot Isostatic Pressing (HIP) process caused the entrainment defects in Al-alloy castings to collapse and their oxide surfaces forced into contact. The fatigue lives of their castings were improved after HIP. Nyahumwa and Campbell [16] also suggested a potential bonding of the double oxide films that were in contact with each other, but there was no direct evidence to support this. This binding phenomenon was further investigated by Aryafar et.al.[8], who re-melted two Al-alloy bars with oxide skins in a steel tube and then carried out a tensile strength test on the solidified sample. They found that the oxide skins of the Al-alloy bars strongly bonded with each other and became even stronger with an extension of the melt holding time, indicating a potential “healing” phenomenon due to the consumption of the entrained gas within the double oxide film structure. In addition, Raidszadeh and Griffiths [9,19] successfully reduced the negative effect of entrainment defects on the reproducibility of Al-alloy castings, by extending the melt holding time before solidification, which allowed the entrained gas to have a longer time to react with the surrounding melt.
With consideration of the previous work mentioned, the consumption of the entrained gas in Mg-alloy castings may diminish the negative effect of entrainment defects in the following two ways.
(1) Bonding phenomenon of the double oxide films. The sandwich-like structure shown in Fig. 5 and 7 indicated a potential bonding of the double oxide film structure. However, more evidence is required to quantify the increase in strength due to the bonding of the oxide films.
(2) Void volume reduction of entrainment defects. The positive effect of void-volume reduction on the quality of castings has been widely demonstrated by the HIP process [67]. As the evolution processes discussed in Section 4.1–4.2, the oxide films of entrainment defects can grow together due to an ongoing reaction between the entrained gas and surrounding AZ91 alloy melt. The volume of the final solid products was significant small compared with the entrained gas (i.e., 0.044% as previously mentioned).
Therefore, the consumption rate of the entrained gas (i.e., the growth rate of oxide films) may be a critical parameter for improving the quality of AZ91 alloy castings. The oxide film growth rate in the oxidization cell was accordingly further investigated.
Fig. 14 shows a comparison of the surface film growth rates in different cover gases (i.e., 0.5%SF6/air and 0.5%SF6/CO2). 15 random points on each sample were selected for film thickness measurements. The 95% confidence interval (95%CI) was computed under an assumption that the variation of the film thickness followed a Gaussian distribution. It can be seen that all the surface films formed in 0.5%SF6/air grew faster than those formed in 0.5%SF6/CO2. The different growth rates suggested that the entrained-gas consumption rate of 0.5%SF6/air was higher than that of 0.5%SF6/CO2, which was more beneficial for the consumption of the entrained gas.
It should be noted that, in the oxidation cell, the contact area of liquid AZ91 alloy and cover gas (i.e. the size of the crucible) was relatively small with consideration of the large volume of melt and gas. Consequently, the holding time for the oxide film growth within the oxidation cell was comparatively long (i.e., 5–30 min). However, the entrainment defects contained in a real casting are comparatively very small (i.e., a few microns size as shown in Figs. 3–6, and [7]), and the entrained gas is fully enclosed by the surrounding melt, creating a relatively large contact area. Hence the reaction time for cover gas and the AZ91 alloy melt may be comparatively short. In addition, the solidification time of real Mg-alloy sand castings can be a few minutes (e.g. Guo [68] reported that a Mg-alloy sand casting with 60 mm diameter required 4 min to be solidified). Therefore, it can be expected that an entrained gas trapped during an Mg-alloy melt pouring process will be readily consumed by the surrounding melt, especially for sand castings and large-size castings, where solidification times are long.
Therefore, the different cover gases (0.5%SF6/air and 0.5%SF6/CO2) associated with different consumption rates of the entrained gases may affect the reproducibility of the final castings. To verify this assumption, the AZ91 castings produced in 0.5%SF6/air and 0.5%SF6/CO2 were machined into test bars for mechanical evaluation. A Weibull analysis was carried out using both linear least square (LLS) method and non-linear least square (non-LLS) method [69].
Fig. 15(a-b) shows a traditional 2-p linearized Weibull plot of the UTS and elongation of the AZ91 alloy castings, obtained by the LLS method. The estimator used is P= (i-0.5)/N, which was suggested to cause the lowest bias among all the popular estimators [69,70]. The casting produced in SF6/air has an UTS Weibull moduli of 16.9, and an elongation Weibull moduli of 5.0. In contrast, the UTS and elongation Weibull modulus of the casting produced in SF6/CO2 are 7.7 and 2.7 respectively, suggesting that the reproducibility of the casting protected by SF6/CO2 were much lower than that produced in SF6/air.
In addition, the author’s previous publication [69] demonstrated a shortcoming of the linearized Weibull plots, which may cause a higher bias and incorrect R2 interruption of the Weibull estimation. A Non-LLS Weibull estimation was therefore carried out, as shown in Fig. 15 (c-d). The UTS Weibull modulus of the SF6/air casting was 20.8, while the casting produced under SF6/CO2 had a lower UTS Weibull modulus of 11.4, showing a clear difference in their reproducibility. In addition, the SF6/air elongation (El%) dataset also had a Weibull modulus (shape = 5.8) higher than the elongation dataset of SF6/CO2 (shape = 3.1). Therefore, both the LLS and Non-LLS estimations suggested that the SF6/air casting has a higher reproducibility than the SF6/CO2 casting. It supports the method that the use of air instead of CO2 contributes to a quicker consumption of the entrained gas, which may reduce the void volume within the defects. Therefore, the use of 0.5%SF6/air instead of 0.5%SF6/CO2 (which increased the consumption rate of the entrained gas) improved the reproducibility of the AZ91 castings.
However, it should be noted that not all the Mg-alloy foundries followed the casting process used in present work. The Mg-alloy melt in present work was degassed, thus reducing the effect of hydrogen on the consumption of the entrained gas (i.e., hydrogen could diffuse into the entrained gas, potentially suppressing the depletion of the entrained gas [7,71,72]). In contrast, in Mg-alloy foundries, the Mg-alloy melt is not normally degassed, since it was widely believed that there is not a ‘gas problem’ when casting magnesium and hence no significant change in tensile properties[73]. Although studies have shown the negative effect of hydrogen on the mechanical properties of Mg-alloy castings [41,42,73], a degassing process is still not very popular in Mg-alloy foundries.
Moreover, in present work, the sand mould cavity was flushed with the SF6 cover gas prior to pouring [22]. However, not all the Mg-alloy foundries flushed the mould cavity in this way. For example, the Stone Foundry Ltd (UK) used sulphur powder instead of the cover-gas flushing. The entrained gas within their castings may be SO2/air, rather than the protective gas.
Therefore, although the results in present work have shown that using air instead of CO2 improved the reproducibility of the final casting, it still requires further investigations to confirm the effect of carrier gases with respect to different industrial Mg-alloy casting processes.
7. Conclusion
Entrainment defects formed in an AZ91 alloy were observed. Their oxide films had two types of structure: single-layered and multi-layered. The multi-layered oxide film can grow together forming a sandwich-like structure in the final casting.2.
Both the experimental results and the theoretical thermodynamic calculations demonstrated that fluorides in the trapped gas were depleted prior to the consumption of sulphur. A three-stage evolution process of the double oxide film defects has been suggested. The oxide films contained different combinations of compounds, depending on the evolution stage. The defects formed in SF6/air had a similar structure to those formed in SF6/CO2, but the compositions of their oxide films were different. The oxide-film formation and evolution process of the entrainment defects were different from that of the Mg-alloy surface films previous reported (i.e., MgO formed prior to MgF2).3.
The growth rate of the oxide film was demonstrated to be greater under SF6/air than SF6/CO2, contributing to a quicker consumption of the damaging entrapped gas. The reproducibility of an AZ91 alloy casting improved when using SF6/air instead of SF6/CO2.
Acknowledgements
The authors acknowledge funding from the EPSRC LiME grant EP/H026177/1, and the help from Dr W.D. Griffiths and Mr. Adrian Carden (University of Birmingham). The casting work was carried out in University of Birmingham.
린 첸 가오 양 미시 옹 장 춘밍 왕 Lin Chen , Gaoyang Mi , Xiong Zhang , Chunming Wang * 중국 우한시 화중과학기술대학 재료공학부, 430074
Effects of sinusoidal oscillating laser beam on weld formation, melt flow and grain structure during aluminum alloys lap welding
Abstract
A numerical model of 1.5 mm 6061/5182 aluminum alloys thin sheets lap joints under laser sinusoidal oscillation (sine) welding and laser welding (SLW) weld was developed to simulate temperature distribution and melt flow. Unlike the common energy distribution of SLW, the sinusoidal oscillation of laser beam greatly homogenized the energy distribution and reduced the energy peak. The energy peaks were located at both sides of the sine weld, resulting in the tooth-shaped sectional formation. This paper illustrated the effect of the temperature gradient (G) and solidification rate (R) on the solidification microstructure by simulation. Results indicated that the center of the sine weld had a wider area with low G/R, promoting the formation of a wider equiaxed grain zone, and the columnar grains were slenderer because of greater GR. The porosity-free and non-penetration welds were obtained by the laser sinusoidal oscillation. The reasons were that the molten pool volume was enlarged, the volume proportion of keyhole was reduced and the turbulence in the molten pool was gentled, which was observed by the high-speed imaging and simulation results of melt flow. The tensile test of both welds showed a tensile fracture form along the fusion line, and the tensile strength of sine weld was significantly better than that of the SLW weld. This was because that the wider equiaxed grain area reduced the tendency of cracks and the finer grain size close to the fracture location. Defect-free and excellent welds are of great significance to the new energy vehicles industry.
온도 분포 및 용융 흐름을 시뮬레이션하기 위해 레이저 사인파 진동 (사인) 용접 및 레이저 용접 (SLW) 용접에서 1.5mm 6061/5182 알루미늄 합금 박판 랩 조인트 의 수치 모델이 개발되었습니다. SLW의 일반적인 에너지 분포와 달리 레이저 빔의 사인파 진동은 에너지 분포를 크게 균질화하고 에너지 피크를 줄였습니다. 에너지 피크는 사인 용접의 양쪽에 위치하여 톱니 모양의 단면이 형성되었습니다. 이 논문은 온도 구배(G)와 응고 속도 의 영향을 설명했습니다.(R) 시뮬레이션에 의한 응고 미세 구조. 결과는 사인 용접의 중심이 낮은 G/R로 더 넓은 영역을 가짐으로써 더 넓은 등축 결정립 영역의 형성을 촉진하고 더 큰 GR로 인해 주상 결정립 이 더 가늘다는 것을 나타냅니다. 다공성 및 비관통 용접은 레이저 사인파 진동에 의해 얻어졌습니다. 그 이유는 용융 풀의 부피가 확대되고 열쇠 구멍의 부피 비율이 감소하며 용융 풀의 난류가 완만해졌기 때문이며, 이는 용융 흐름의 고속 이미징 및 시뮬레이션 결과에서 관찰되었습니다. 두 용접부 의 인장시험 은 융착선을 따라 인장파괴형태를인장강도사인 용접의 경우 SLW 용접보다 훨씬 우수했습니다. 이는 등축 결정립 영역이 넓을수록 균열 경향이 감소하고 파단 위치에 근접한 입자 크기가 미세 하기 때문입니다. 결함이 없고 우수한 용접은 신에너지 자동차 산업에 매우 중요합니다.
Fig. 1. Schematic of lap welding for 6061/5182 aluminum alloys.Fig. 2. Finite element mesh.Fig. 3. Weld morphologies of cross-section and upper surface for the two welds: (a) sine pattern weld; (b) SLW weld.Fig. 4. Calculation of laser energy distribution: (a)-(c) sine pattern weld; (d)-(f) SLW weld.Fig. 5. The partially melted region of zone A.Fig. 6. The simulated profiles of melted region for the two welds: (a) SLW weld; (b) sine pattern weld.Fig. 7. The temperature field simulation results of cross section for sine pattern weld.Fig. 8. Dynamic behavior of the molten pool at the same time interval of 0.004 s within one oscillating period: (a) SLW weld; (b) sine pattern weld.Fig. 9. The temperature field and flow field of the molten pool for the SLW weld: (a)~(f) t = 80 ms~100 ms.Fig. 10. The temperature field and flow field of the molten pool for the sine pattern weld: (a)~(f) t = 151 ms~171 ms.Fig. 11. The evolution of the molten pool volume and keyhole depth within one period.Fig. 12. The X-ray inspection results for the two welds: (a) SLW weld, (b) sine pattern weld.Fig. 13. Comparison of the solidification parameters for sine and SLW patterns: (a) the temperature field simulated results of the molten pool upper surfaces; (b)
temperature gradient G and solidification rate R along the molten pool boundary isotherm from weld centerline to the fusion boundary; (c) G/R; (d) GR.Fig. 14. The EBSD results of equiaxed grain zone in the weld center of: (a) sine pattern weld; (b) SLW weld; (c) grain size.Fig. 15. (a) EBSD results of horizontal sections of SLW weld and sine pattern weld; (b) The columnar crystal widths of SLW weld and sine pattern weld.Fig. 16. (a) The tensile test results of the two welds; (b) Fracture location of SLW weld; (b) Fracture location of sine pattern weld.
Keywords
Laser welding, Sinusoidal oscillating, Energy distribution, Numerical simulation, Molten pool flow, Grain structure
References
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NadhiraKarimaaIkhaMagdalenaabIndrianaMarcelaaMohammadFaridbaFaculty of Mathematics and Natural Sciences, Bandung Institute of Technology, 40132, IndonesiabCenter for Coastal and Marine Development, Bandung Institute of Technology, Indonesia
Highlights
•A new three-layer model for n-block submerged porous breakwaters is developed.
•New analytical approach in finding the wave transmission coefficient is presented.
•A finite volume method successfully simulates the wave attenuation process.
•Porous media blocks characteristics and configuration can optimize wave reduction.
Abstract
높은 파도 진폭은 해안선에 위험한 영향을 미치고 해안 복원력을 약화시킬 수 있습니다. 그러나 다중 다공성 매체는 해양 생태계의 환경 친화적인 해안 보호 역할을 할 수 있습니다.
이 논문에서 우리는 n개의 잠긴 다공성 미디어 블록이 있는 영역에서 파동 진폭 감소를 계산하기 위해 3층 깊이 통합 방정식을 사용합니다. 수학적 모델은 파동 전달 계수를 얻기 위해 여러 행렬 방정식을 포함하는 변수 분리 방법을 사용하여 해석적으로 해결됩니다.
이 계수는 진폭 감소의 크기에 대한 정보를 제공합니다. 또한 모델을 수치적으로 풀기 위해 지그재그 유한 체적 방법이 적용됩니다.
수치 시뮬레이션을 통해 다공성 매질 블록의 구성과 특성이 투과파 진폭을 줄이는 데 중요하다는 결론을 내렸습니다.
High wave amplitudes may cause dangerous effects on the shoreline and weaken coastal resilience. However, multiple porous media can act as environmental friendly coastal protectors of the marine ecosystem. In this paper, we use three-layer depth-integrated equations to calculate wave amplitude reduction in a domain with n submerged porous media blocks. The mathematical model is solved analytically using the separation of variables method involving several matrix equations to obtain the wave transmission coefficient. This coefficient provides information about the magnitude of amplitude reduction. Additionally, a staggered finite volume method is applied to solve the model numerically. By conducting numerical simulations, we conclude that porous media blocks’ configuration and characteristics are crucial in reducing transmitted wave amplitude.
Fig. 1. Sketch of the problem configuration.Fig. 6. Experiment of waves passing through a single block of porous medium.
References
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ArticleDownload PDFView Record in ScopusGoogle Scholar[9]F. Hajivalie, S. M. Mahmoudof, Experimental study of energy dissipation at rectangular submerged breakwater, Proceedings of the 8th International Conference on Fluid Mechanics.
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Finite element simulation on the convective double diffusive water-based copper oxide nanofluid flow in a square cavity having vertical wavy surfaces in presence of hydro-magnetic field
316-L 스테인리스강의 레이저 분말 베드 융합 중 콜드 스패터 형성의 충실도 높은 수치 모델링
W.E. ALPHONSO1*, M. BAYAT1 and J.H. HATTEL1 *Corresponding author 1Technical University of Denmark (DTU), 2800, Kgs, Lyngby, Denmark
ABSTRACT
L-PBF(Laser Powder Bed Fusion)는 금속 적층 제조(MAM) 기술로, 기존 제조 공정에 비해 부품 설계 자유도, 조립품 통합, 부품 맞춤화 및 낮은 툴링 비용과 같은 여러 이점을 산업에 제공합니다.
전기 코일 및 열 관리 장치는 일반적으로 높은 전기 및 열 전도성 특성으로 인해 순수 구리로 제조됩니다. 따라서 순동의 L-PBF가 가능하다면 기하학적으로 최적화된 방열판과 자유형 전자코일을 제작할 수 있습니다.
그러나 L-PBF로 조밀한 순동 부품을 생산하는 것은 적외선에 대한 낮은 광 흡수율과 높은 열전도율로 인해 어렵습니다. 기존의 L-PBF 시스템에서 조밀한 구리 부품을 생산하려면 적외선 레이저의 출력을 500W 이상으로 높이거나 구리의 광흡수율이 높은 녹색 레이저를 사용해야 합니다.
적외선 레이저 출력을 높이면 후면 반사로 인해 레이저 시스템의 광학 구성 요소가 손상되고 렌즈의 열 광학 현상으로 인해 공정이 불안정해질 수 있습니다. 이 작업에서 FVM(Finite Volume Method)에 기반한 다중 물리학 중간 규모 수치 모델은 Flow-3D에서 개발되어 용융 풀 역학과 궁극적으로 부품 품질을 제어하는 물리적 현상 상호 작용을 조사합니다.
녹색 레이저 열원과 적외선 레이저 열원은 기판 위의 순수 구리 분말 베드에 단일 트랙 증착을 생성하기 위해 개별적으로 사용됩니다.
용융 풀 역학에 대한 레이저 열원의 유사하지 않은 광학 흡수 특성의 영향이 탐구됩니다. 수치 모델을 검증하기 위해 단일 트랙이 구리 분말 베드에 증착되고 시뮬레이션된 용융 풀 모양과 크기가 비교되는 실험이 수행되었습니다.
녹색 레이저는 광흡수율이 높아 전도 및 키홀 모드 용융이 가능하고 적외선 레이저는 흡수율이 낮아 키홀 모드 용융만 가능하다. 레이저 파장에 대한 용융 모드의 변화는 궁극적으로 기계적, 전기적 및 열적 특성에 영향을 미치는 열 구배 및 냉각 속도에 대한 결과를 가져옵니다.
Laser Powder Bed Fusion (L-PBF) is a Metal Additive Manufacturing (MAM) technology which offers several advantages to industries such as part design freedom, consolidation of assemblies, part customization and low tooling cost over conventional manufacturing processes. Electric coils and thermal management devices are generally manufactured from pure copper due to its high electrical and thermal conductivity properties. Therefore, if L-PBF of pure copper is feasible, geometrically optimized heat sinks and free-form electromagnetic coils can be manufactured. However, producing dense pure copper parts by L-PBF is difficult due to low optical absorptivity to infrared radiation and high thermal conductivity. To produce dense copper parts in a conventional L-PBF system either the power of the infrared laser must be increased above 500W, or a green laser should be used for which copper has a high optical absorptivity. Increasing the infrared laser power can damage the optical components of the laser systems due to back reflections and create instabilities in the process due to thermal-optical phenomenon of the lenses. In this work, a multi-physics meso-scale numerical model based on Finite Volume Method (FVM) is developed in Flow-3D to investigate the physical phenomena interaction which governs the melt pool dynamics and ultimately the part quality. A green laser heat source and an infrared laser heat source are used individually to create single track deposition on pure copper powder bed above a substrate. The effect of the dissimilar optical absorptivity property of laser heat sources on the melt pool dynamics is explored. To validate the numerical model, experiments were conducted wherein single tracks are deposited on a copper powder bed and the simulated melt pool shape and size are compared. As the green laser has a high optical absorptivity, a conduction and keyhole mode melting is possible while for the infrared laser only keyhole mode melting is possible due to low absorptivity. The variation in melting modes with respect to the laser wavelength has an outcome on thermal gradient and cooling rates which ultimately affect the mechanical, electrical, and thermal properties.
Keywords
Pure Copper, Laser Powder Bed Fusion, Finite Volume Method, multi-physics
Fig. 1 Multi-physics phenomena in the laser-material interaction zoneFig. 2 Framework for single laser track simulation model including powder bed and substrate (a)
computational domain with boundaries (b) discretization of the domain with uniform quad mesh.Fig. 3 2D melt pool contours from the numerical model compared to experiments [16] for (a) VED =
65 J/mm3
at 7 mm from the beginning of the single track (b) VED = 103 J/mm3
at 3 mm from the
beginning of the single track (c) VED = 103 J/mm3
at 7 mm from the beginning of the single track. In
the 2D contour, the non-melted region is indicated in blue, and the melted region is indicated by red and
green when the VED is 65 J/mm3
and 103 J/mm3
respectively.Fig. 4 3D temperature contour plots of during single track L-PBF process at time1.8 µs when (a) VED
= 65 J/mm3 (b) VED = 103 J/mm3 along with 2D melt pool contours at 5 mm from the laser initial
position. In the 2D contour, the non-melted region is indicated in blue, and the melted region is indicated
by red and green when the VED is 65 J/mm3
and 103 J/mm3
respectively.
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316-L 스테인리스강의 레이저 분말 베드 융합 중 콜드 스패터 형성의 충실도 높은 수치 모델링
M. BAYAT1,* , AND J. H. HATTEL1
Corresponding author 1 Technical University of Denmark (DTU), Building 425, Kgs. 2800 Lyngby, Denmark
ABSTRACT
Spatter and denudation are two very well-known phenomena occurring mainly during the laser powder bed fusion process and are defined as ejection and displacement of powder particles, respectively. The main driver of this phenomenon is the formation of a vapor plume jet that is caused by the vaporization of the melt pool which is subjected to the laser beam. In this work, a 3-dimensional transient turbulent computational fluid dynamics model coupled with a discrete element model is developed in the finite volume-based commercial software package Flow-3D AM to simulate the spatter phenomenon. The numerical results show that a localized low-pressure zone forms at the bottom side of the plume jet and this leads to a pseudo-Bernoulli effect that drags nearby powder particles into the area of influence of the vapor plume jet. As a result, the vapor plume acts like a momentum sink and therefore all nearby particles point are dragged towards this region. Furthermore, it is noted that due to the jet’s attenuation, powder particles start diverging from the central core region of the vapor plume as they move vertically upwards. It is moreover observed that only particles which are in the very central core region of the plume jet get sufficiently accelerated to depart the computational domain, while the rest of the dragged particles, especially those which undergo an early divergence from the jet axis, get stalled pretty fast as they come in contact with the resting fluid. In the last part of the work, two simulations with two different scanning speeds are carried out, where it is clearly observed that the angle between the departing powder particles and the vertical axis of the plume jet increases with increasing scanning speed.
스패터와 denudation은 주로 레이저 분말 베드 융합 과정에서 발생하는 매우 잘 알려진 두 가지 현상으로 각각 분말 입자의 배출 및 변위로 정의됩니다.
이 현상의 주요 동인은 레이저 빔을 받는 용융 풀의 기화로 인해 발생하는 증기 기둥 제트의 형성입니다. 이 작업에서 이산 요소 모델과 결합된 3차원 과도 난류 전산 유체 역학 모델은 스패터 현상을 시뮬레이션하기 위해 유한 체적 기반 상용 소프트웨어 패키지 Flow-3D AM에서 개발되었습니다.
수치적 결과는 플룸 제트의 바닥면에 국부적인 저압 영역이 형성되고, 이는 근처의 분말 입자를 증기 플룸 제트의 영향 영역으로 끌어들이는 의사-베르누이 효과로 이어진다는 것을 보여줍니다.
결과적으로 증기 기둥은 운동량 흡수원처럼 작용하므로 근처의 모든 입자 지점이 이 영역으로 끌립니다. 또한 제트의 감쇠로 인해 분말 입자가 수직으로 위쪽으로 이동할 때 증기 기둥의 중심 코어 영역에서 발산하기 시작합니다.
더욱이 플룸 제트의 가장 중심 코어 영역에 있는 입자만 계산 영역을 벗어날 만큼 충분히 가속되는 반면, 드래그된 나머지 입자, 특히 제트 축에서 초기 발산을 겪는 입자는 정체되는 것으로 관찰됩니다. 그들은 휴식 유체와 접촉하기 때문에 꽤 빠릅니다.
작업의 마지막 부분에서 두 가지 다른 스캔 속도를 가진 두 가지 시뮬레이션이 수행되었으며, 여기서 출발하는 분말 입자와 연기 제트의 수직 축 사이의 각도가 스캔 속도가 증가함에 따라 증가하는 것이 명확하게 관찰되었습니다.
Fig 1. Two different views of the computational domain for the fluid domain. The vapor plume is
simulated by a moving momentum source with a prescribed temperature of 3000 K.Fig 2. (a) and (b) are two snapshots taken at an x-y plane parallel to the powder layer plane before and
0.008 seconds after the start of the scanning process. (c) Shows a magnified view of (b) where detailed
powder particles’ movement along with their velocity magnitude and directions are shown.Fig 3. Front view of the ejected powder particles due to the plume movement. Powder particles are
colored by their respective temperature while trajectory colors show their magnitude at 0.007 seconds.
References
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In this study a gating system including sprue, runner and overflows for semi-solid rheocasting of aluminum alloy was designed by means of numerical simulations with a commercial software. The effects of pouring temperature, mold temperature and injection speed on the filling process performance of semi-solid die casting were studied. Based on orthogonal test analysis, the optimal die casting process parameters were selected, which were metal pouring temperature 590 °C, mold temperature 260 °C and injection velocity 0.5 m/s. Semi-solid slurry preparation process of Swirled Enthalpy Equilibration Device (SEED) was used for die casting production experiment. Aluminum alloy semi-solid bracket components were successfully produced with the key die casting process parameters selected, which was consistent with the simulation result. The design of semi-solid gating system was further verified by observing and analyzing the microstructure of different zones of the casting. The characteristic parameters, particle size and shape factor of microstructure of the produced semi-solid casting showed that the semi-solid aluminum alloy components are of good quality.
이 연구에서 알루미늄 합금의 반고체 레오캐스팅을 위한 스프루, 러너 및 오버플로를 포함하는 게이팅 시스템은 상용 소프트웨어를 사용한 수치 시뮬레이션을 통해 설계되었습니다. 주입 온도, 금형 온도 및 사출 속도가 반고체 다이캐스팅의 충전 공정 성능에 미치는 영향을 연구했습니다. 직교 테스트 분석을 기반으로 금속 주입 온도 590°C, 금형 온도 260°C 및 사출 속도 0.5m/s인 최적의 다이 캐스팅 공정 매개변수가 선택되었습니다. Swirled Enthalpy Equilibration Device(SEED)의 반고체 슬러리 제조 공정을 다이캐스팅 생산 실험에 사용하였다. 알루미늄 합금 반고체 브래킷 구성 요소는 시뮬레이션 결과와 일치하는 주요 다이 캐스팅 공정 매개변수를 선택하여 성공적으로 생산되었습니다. 반고체 게이팅 시스템의 설계는 주조의 다른 영역의 미세 구조를 관찰하고 분석하여 추가로 검증되었습니다. 생산된 반고체 주조물의 특성 매개변수, 입자 크기 및 미세 구조의 형상 계수는 반고체 알루미늄 합금 부품의 품질이 양호함을 보여주었습니다.
Gating System Design Based on Numerical Simulation and Production Experiment Verification of Aluminum Alloy Bracket Fabricated by Semi-solid Rheo-Die Casting Process
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CFD Simulation of an exhaust system in chainsaw cutting test room
Área de Concentração: Energia e Fenômenos de Transporte Orientador: Prof. Diogo Elias da Vinha Andrade Comissão de Avaliação: Profa . Letícia Jenisch Rodrigues Prof. Francis Henrique Ramos França Prof. Paulo Smith Schneider
Abstract
The objective of the present work is to improve an exhaust system for a chain saw cutting test room through a fluid dynamic computational simulation (CFD). The purpose of the designed system is to remove combustion gases, such as carbon monoxide (CO), which is extremely toxic, colourless and inodorous. The current system consists of a set of exhaust fans, a hood and an insufflation set. From experimental tests, the input data of the simulation were collected to define the variables and boundary conditions such as volumetric flow of CO, its temperature and density and the supply of fresh air in the room. The necessary means of instrumentation are presented so that it is possible to obtain the correlation with the results of the simulation and, once validated, a study of mesh refinement was carried out. With this, the possible solutions to the problem are evaluated through a case study involving the geometry of the hood and the exhaust and insufflation systems. By changing the hood geometry, the most satisfactory result was obtained for the problem, as it was shown to be able to remove all CO from the room, respecting the proposed operational limits.
현재 연구의 목적은 유체 역학 계산 시뮬레이션(CFD)을 통해 체인 톱 절단 시험실의 배기 시스템을 개선하는 것입니다. 설계된 시스템의 목적은 매우 유독하고 무색이며 냄새가 나는 일산화탄소(CO)와 같은 연소 가스를 제거하는 것입니다. 현재 시스템은 배기 팬 세트, 후드 및 흡입 세트로 구성됩니다. 실험 테스트에서 시뮬레이션의 입력 데이터는 CO의 체적 유량, 온도 및 밀도, 실내의 신선한 공기 공급과 같은 변수 및 경계 조건을 정의하기 위해 수집되었습니다. 시뮬레이션 결과와의 상관관계를 얻을 수 있도록 필요한 계측 수단을 제시하고 검증 후 메쉬 미세화 연구를 수행했습니다. 이를 통해 후드의 기하학적 구조와 배기 및 흡입 시스템과 관련된 사례 연구를 통해 문제에 대한 가능한 솔루션을 평가합니다. 후드 형상을 변경함으로써 제안된 작동 한계를 준수하면서 실내에서 모든 CO를 제거할 수 있는 것으로 나타났기 때문에 문제에 대해 가장 만족스러운 결과를 얻었습니다.
Keywords
carbon monoxide, exhaust system, CFD simulation.
Figura 3.2 – Geometria simplificada da sala de testes da primeira versão.Figura 3.4 – Velocidade nos sensores de velocidade para verificar independência de malha
para cada refino após 20 s do acionamento da motosserra.Figura 3.4 – Velocidade nos sensores de velocidade para verificar independência de malha
para cada refino após 20 s do acionamento da motosserra.Figura 3.5 – Vista em detalhe da coifa e os elementos que a compõe.Figura 3.6 – Geometrias das versões simuladas do Teste de Casos.Figura 4.1 – Concentração de CO medida pelos sensores da simulação.Figura 4.2 – Plano indicando os três cortes realizados na simulação para as superfícies de
contorno sendo (1) a altura do escape da máquina, (2) a altura dos detectores de CO e (3) a
altura dos exaustoresFigura 4.3 – Superfície de contorno de velocidades a 1,3 m do piso após 20 s de
acionamento da motosserra.Figura 4.4 – Superfície de contorno de velocidades a 1,5 m do piso após 20 s de
acionamento da motosserra.Figura 4.5 – Superfície de contorno de velocidades a 3,9 m do piso após 20 s de
acionamento da motosserra.Figura 4.6 – Superfície de contorno de massas específicas a 1,3 m do piso após 20 s de
acionamento da motosserra.Figura 4.7 – Superfície de contorno de massas específicas a 1,5 m do piso após 20 s de
acionamento da motosserra.Figura 4.8 – Superfície de contorno de massas específicas a 3,9 m do piso após 20 s de
acionamento da motosserra.Figura 4.9 – Volume total de monóxido ao longo do tempo na sala.Figura 4.9 – Vazão volumétrica de CO ao longo do tempo através da superfície de
controle. As linhas contínuas representam curvas de ajuste aos dados simulados.
REFERENCIAS
CROWL, Daniel A.; LOUVAR, Joseph F. Chemical process safety: fundamentals with applications. Second Edition, Pearson Education, 2001. BURNETT, J.; CHAN, M. Y. Criteria for air quality in enclosed car parks. Em: Proceedings of the Institution of Civil Engineers-Transport. Thomas Telford-ICE Virtual Library, 1997. Disponível em: < http://www.icevirtuallibrary.com/doi/10.1680/itran.1997.29379> SITTISAK, P.; CHARINPANITKUL T.; CHALERMSINSUWAN, B. Enhancement of carbon monoxide removal in an underground car park using ventilation system with single and twin jet fans. Em: Tunnelling and Underground Space Technology. Volume 97, 2020. VERSTEEG, H.K.; MALALASEKERA, W. Computational Fluid Dynamics: The Finite Volume Method. Second Edition, Pearson Education, 2007. BULIŃSKA, A.; POPIOŁEK, Z.; BULIŃSKI, Z.; Experimentally validated CFD analysis on sampling region determination of average indoor carbon dioxide concentration in occupied space. Em: Building and Environment. Volume 72, 2014. KARIMI, H.; RIAZI, B.; MOHHAMMADI, M. Application of Computational Fluid Dynamics in the Simulation of Carbon Monoxide Distribution, a Case Study: Sayad Underground Tunnel in Tehran. Disponível em: YAKHOT, V.; ORSZAG, S. Renormalization group analysis of turbulence. I. Basic theory. Journal of scientific computing, v. 1, n. 1, p. 3-51, 1986. VAN HOOFF, T.; BLOCKEN, B. CFD evaluation of natural ventilation of indoor environments by the concentration decay method: CO2 gas dispersion from a semi-enclosed stadium. Building and Environment, v. 61, p. 1-17, 2013. Disponível em: < https://www.sciencedirect.com/science/article/pii/S0360132312003216> YANG, L., YE, M., HE, B. CFD simulation research on residential indoor air quality. Em Science of The Total Environment. Volume 472, 2014. Disponível em: < https://www.sciencedirect.com/science/article/pii/S0048969713014228> Flow-3D. Flow-3D User’s Guide. Versão 12, 2020. LAUNDER, B. E. e SPALDING, D. B. The numerical computation of turbulent flows. Em Computer Methods in Applied Mechanics and Engineering, vol. 3, 1974. pp. 269-289 MALISKA, Clovis R. Transferência de Calor e Mecânica dos Fluidos Computacional: fundamentos e coordenadas generalizadas. Segunda Edição. Rio de Janeiro, LTC, 2004. ROACHE, P. J. Perspective: A Method for Uniform Reporting of Grid Refinement Studies, Journal of Fluids Engineering, Vol. 116, 1994; 405-413.
1Tecnológico Nacional de México/ITS de Los Reyes. Carretera Los Reyes-Jacona, Col. Libertad. 60300. Los Reyes de Salgado, Michoacán. México.
ernesto.ar@losreyes.tecnm.mx – 3541013901 (*Autor de correspondencia)
2Instituto de Ciencias Aplicadas y Tecnología, UNAM. Cto. Exterior S/N, C.U., Coyoacán, 04510, Ciudad de México. México. 3Riego y Drenaje. Instituto Mexicano de Tecnología del Agua. Paseo Cuauhnáhuac 8532, Progreso, Jiutepec, Morelos, C.P. 62550. México.
Abstract
공학에서 유체의 거동은 설명하기에 광범위하고 복잡한 과정이며, 유체역학은 유체의 거동을 지배하는 방정식을 통해 유체 역학 현상을 분석할 수 있는 과학 분야이지만 이러한 방정식에는 전체 솔루션이 없습니다. . 전산유체역학(Computational Fluid Dynamics, 이하 CFD)은 수치적 기법을 통해 방정식의 해에 접근할 수 있는 도구로, 신뢰할 수 있는 계산 모델을 얻기 위해서는 물리적 모델의 실험 데이터로 평가해야 합니다. 수력구조물에서 선형 및 미로형 여수로에서 시뮬레이션을 수행하고 배출 시트의 거동과 현재의 폭기 조건을 분석했습니다. 침강기에서 유체의 특성화를 수행하고 필요한 특성에 따라 사체적, 피스톤 또는 혼합의 분수를 수정하는 것이 가능합니다. 농업에서는 온실 환경을 특성화하고 환경에 대한 재료의 디자인, 방향 및 유형 간의 관계를 찾는 데 사용할 수 있습니다. 발견된 가장 중요한 결과 중 온실의 길이와 설계가 환기율에 미칠 수 있는 영향으로 온실의 길이는 높이의 6배 미만인 것이 권장됩니다.
키워드: Computational Fluid Dynamics, 온실,
Spillway, Settler 기사: COMEII-21048 소개
CFD는 유체 운동 문제에 대한 수치적 솔루션을 얻어 수리학적 현상을 더 잘 이해할 수 있게 함으로써 공간 시각화를 가능하게 하는 수치 도구입니다. 예를 들어, 수력 공학에서 벤츄리(Xu, Gao, Zhao, & Wang, 2014) 워터 펌핑(ȘCHEAUA, 2016) 또는 개방 채널 적용( Wu et 알., 2000).
문헌 검토는 실험 연구에서 검증된 배수로의 흐름 거동에 대한 수리학적 분석을 위한 CFD 도구의 효율성을 보여줍니다. 이 검토는 둑의 흐름 거동에 대한 수리학적 분석을 위한 CFD의 효율성을 보여줍니다. Crookston et al. (2012)는 미로 여수로에 대해 Flow 3D로 테스트를 수행했으며, 배출 계수의 결과는 3%에서 7%까지 다양한 오류로 실험적으로 얻은 결과로 허용 가능했으며 연구 결과 측면에 저압 영역이 있음을 발견했습니다. 익사 방식으로 작업할 때 위어의 벽. Zuhair(2013)는 수치 모델링 결과를 Mandali weir 원형의 실험 데이터와 비교했습니다.
최근 연구에서는 다양한 난류 모델을 사용하여 CFD를 적용할 가능성이 있음을 보여주었습니다. 그리고 일부만이 음용수 처리를 위한 침적자의 사례 연구를 제시했으며, 다른 설계 변수 중에서 기하학적인 대안, 수온 변화 등을 제안했습니다. 따라서 기술 개발로 인해 설계 엔지니어가 유체 거동을 분석하는 데 CFD 도구를 점점 더 많이 사용하게 되었습니다.
보호 농업에서 CFD는 온실 환경을 모델링하고 보조 냉방 또는 난방 시스템을 통해 온실의 미기후 관리를 위한 전략을 제안하는 데 사용되는 기술이었습니다(Aguilar Rodríguez et al., 2020).
2D 및 3D CFD 모델을 사용한 본격적인 온실 시뮬레이션은 태양 복사 모델과 현열 및 잠열 교환 하위 모델의 통합을 통해 온실의 미기후 분포를 연구하는 데 사용되었습니다(Majdoubi, Boulard, Fatnassi, & Bouirden, 2009). 마찬가지로 이 모델을 사용하여 온실 설계(Sethi, 2009), 덮개 재료(Baxevanou, Fidaros, Bartzanas, & Kittas, 2018), 시간, 연중 계절( Tong, Christopher, Li, & Wang, 2013), 환기 유형 및 구성(Bartzanas, Boulard, & Kittas, 2004).
CFD 거래 프로그램은 사용자 친화적인 플랫폼으로 설계되어 결과를 쉽게 관리하고 이해할 수 있습니다.
…
Figura 1. Distribución de presiones y velocidades en un vertedor de pared delgada.Figura 2. Perfiles de velocidad y presión en la cresta vertedora.Figura 3. Condiciones de aireación en vertedor tipo laberinto. (A)lámina adherida a la pared del vertedor, (B) aireado, (C) parcialmente aireado, (D) ahogado.Figura 4. Realización de prueba de riego.Figura 5. Efecto de la posición y dirección de los calefactores en un invernadero a 2 m del suelo.Figura 6. Indicadores ambientales para medir el confort ambiental de los cultivos.Figura 7. Líneas de corriente dentro del sedimentador experimental en estado estacionario (Ramirez-Ruiz, 2019).
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Yu Hao a, Nannan Chen a,b, Hui-Ping Wang c,*, Blair E. Carlson c, Fenggui Lu a,* a Shanghai Key Laboratory of Materials Laser Processing and Modification, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, PR China b Department of Industrial and Manufacturing Eng
ABSTRACT
A three-dimensional thermal-fluid numerical model considering zinc vapor interaction with the molten pool was developed to study the occurrence of zinc vapor-induced spatter in partial penetration laser overlap welding of zinc-coated steels. The zinc vapor effect was represented by two forces: a jet pressure force acting on the keyhole rear wall as the vapor bursts into the keyhole and a drag force on the upper keyhole wall as the vapor escapes upwards. The numerical model was calibrated by comparing the predicted keyhole shape with the keyhole shape observed by high-speed X-ray imaging and applied for various weld schedules. The study showed that large jet pressure forces induced violent fluctuations of the keyhole rear wall, resulting in an unstable keyhole and turbulent melt flow. A large drag force pushed the melt adjacent to the keyhole surface upward and accelerated the movement of the melt whose velocities reached 1 m/s or even higher, potentially inducing spatter. Increased heat input facilitated the occurrence of large droplets of spatter, which agreed with experimental observations captured by high-speed camera.
아연도금강의 부분용입 레이저 겹침용접에서 아연증기유도 스패터의 발생을 연구하기 위하여 용융풀과의 아연증기 상호작용을 고려한 3차원 열유체 수치모델을 개발하였습니다.
아연 증기 효과는 증기가 열쇠 구멍으로 폭발할 때 키홀 뒤쪽 벽에 작용하는 제트 압력력과 증기가 위쪽으로 빠져나갈 때 위쪽 키홀 벽에 작용하는 항력의 두 가지 힘으로 표시됩니다.
수치 모델은 예측된 열쇠 구멍 모양과 고속 X선 영상으로 관찰된 키홀 모양을 비교하여 보정하고 다양한 용접 일정에 적용했습니다.
이 연구는 큰 제트 압력이 키홀 뒷벽의 격렬한 변동을 유발하여 불안정한 열쇠 구멍과 난류 용융 흐름을 초래한다는 것을 보여주었습니다. 큰 항력은 키홀 표면에 인접한 용융물을 위로 밀어올리고 속도가 1m/s 이상에 도달한 용융물의 이동을 가속화하여 잠재적으로 스패터를 유발할 수 있습니다.
증가된 열 입력은 고속 카메라로 포착한 실험적 관찰과 일치하는 큰 방울의 스패터 발생을 촉진했습니다.
Fig. 1. Schematic of zero-gap laser welding of zinc-coated steel.Fig. 2. Experimental setup for capturing a side view of the laser welding of
zinc-coated steel enabled by use of high-temperature glass.Fig. 3. Experimental angled top-view setup for laser welding of zinc-coated
steel with a laser illumination.Fig. 4. Schematic of the rotating Gaussian body heat source.Fig. 5. Schematic of jet pressure force caused by zinc vapor: (a) locating the outlet of zinc vapor (point A), (b) schematic of assigning the jet pressure force.Fig. 6. Schematic of drag force caused by zinc vapor.Fig. 7. Procedure for calculating the outgassing velocity of zinc vapor.Fig. 8. Schematic related to calculating the zone of vaporized zinc.Fig. 9. The meshed domains for the thermal-fluid simulation of laser welding.Fig. 10. The calculated temperature field and validation: (a) 3-D temperature field; (b)-(f) Comparison of experimental and simulated weld cross section: (b) P =
2000 W, v = 50 mm/s; (c) P = 2500 W, v = 50 mm/s; (d) P = 3000 W, v = 50 mm/s; (e) P = 3000 W, v = 60 mm/s; (f) P = 3000 W, v = 70 mm/s.Fig. 11. Comparison of X-Ray images of in-process keyhole profiles and the numerical predictions: (a) Single sheet penetration (P = 480 W, v = 150 mm/s); (b) Two
sheet penetration (P = 532 W, v = 150 mm/s).Fig. 12. High-speed images of dynamic keyhole in laser welding of steels: (a) without zinc coating (b) with zinc coating.Fig. 13. Mass loss and molten pool observation under different laser power and welding velocity for 1.2 mm + 1.2 mm HDG 420LA stack-upFig. 14. Numerical results of keyhole and flow field in molten pool: (a) without zinc vapor forces, (b) with zinc vapor forces.Fig. 18. Calculated velocity fields for different welding parameters: (a) P = 2 kW, v = 50 mm/s, (b) P = 2.5 kW, v = 50 mm/s, (c) P = 3 kW, v = 50 mm/s, (d) P = 3
kW, v = 60 mm/s, (e) P = 3 kW, v = 70 mm/s.Fig. 19. Schematic of the generation of spatter in different sizes: (a) small size, (b) large size.
References
Ai, Y., Jiang, P., Wang, C., et al., 2018. Experimental and numerical analysis of molten pool and keyhole profile during high-power deep-penetration laser welding. Int. J. Heat Mass Transf. 126 (part-A), 779–789. Chen, Z., Yang, S., Wang, C., et al., 2014. A study of fiber laser welding of galvanized steel using a suction method. J. Mater. Process. Technol. 214 (7), 1456–1465. Cho, W.I., Na, S.J., Thomy, C., et al., 2012. Numerical simulation of molten pool dynamics in high power disk laser welding. J. Mater. Process. Technol. 212 (1), 262–275. Deng, S., Wang, H.P., Lu, F., et al., 2019. Investigation of spatter occurrence in remote laser spiral welding of zinc-coated steels. Int. J. Heat Mass Transf. 140 (9), 269–280. Fabbro, R., Coste, F., Goebels, D., et al., 2006. Study of CW Nd-Yag laser welding of Zncoated steel sheets. J. Phys. D Appl. Phys. 39 (2), 401. Gao, Z., Wu, Y., Huang, J., 2009. Analysis of weld pool dynamic during stationary laser–MIG hybrid welding. Int. J. Adv. Manuf. Technol. 44 (9), 870–879. Kaplan, A., 1994. A model of deep penetration laser welding based on calculation of the keyhole profile. J. Phys. D Appl. Phys. 27 (9), 1805. Kim, J., Oh, S., Ki, H., 2015. A study of keyhole geometry in laser welding of zinc-coated and uncoated steels using a coaxial observation method. J. Mater. Process. Technol. 225, 451–462. Kim, J., Oh, S., Ki, H., 2016. Effect of keyhole geometry and dynamics in zero-gap laser welding of zinc-coated steel sheets. J. Mater. Process. Technol. 232, 131–141. Koch, H., KaGeler, C., Otto, A., et al., 2011. Analysis of welding zinc coated steel sheets in zero gap configuration by 3D simulations and high-speed imaging. Phys. Procedia 12 (part-B), 428–436. Kouraytem, N., Li, X., Cunningham, R., et al., 2019. Effect of laser-matter interaction on molten pool flow and keyhole dynamics. Phys. Rev. Appl. 11 (6), 54–64. Li, S., Chen, G., Katayama, S., et al., 2014. Relationship between spatter formation and dynamic molten pool during high-power deep-penetration laser welding. Appl. Surf. Sci. 303 (6), 481–488. Ma, J., 2013. Experimental and Numerical Studies on the Issues in Laser Welding of Galvanized High-Strength Dual-Phase Steels in a Zero-Gap Lap Joint Configuration, PhD Thesis. Southern Methodist University. Pan, Y., 2011. Laser Welding of Zinc Coated Steel Without a Pre-Set Gap, PhD Thesis. Delft University of Technology. Schmidt, M., Otto, A., 2008. Analysis of YAG laser lap-welding of zinc coated steel sheets. CIRP Ann. Manuf. Technol. 57, 213–216. Semak, V., Matsunawa, A., 1999. The role of recoil pressure in energy balance during laser materials processing. J. Phys. D Appl. Phys. 30 (18), 2541. Wu, S., Zhao, H., Wang, Y., Zhang, X., 2004. A new heat source model in numerical simulation of high energy beam welding. Trans. China Weld. 21, 99–102. Yaws, C.L., 2015. The Yaws Handbook of Vapor Pressure: Antoine Coefficients. Zhou, J., Tsai, H.L., 2008. Modeling of transport phenomena in hybrid laser-MIG keyhole welding. Int. J. Heat Mass Transf. 51 (17–18), 4353–4366.
aUniversity of Padova, Department of Management and Engineering, Vicenza, Italy bUniversity of Bayburt, Mechanical Engineering, Bayburt, Turkey cAtilim University, Metallurgical and Materials Engineering, Ankara, Turkey dIstanbul Technical University, Metallurgical and Materials Engineering, Istanbul, Turkey eCenter for Critical and Functional Materials, ITU, Istanbul, Turkey
ABSTRACT
The demand for lighter weight decreased thickness and higher strength has become the focal point in the automotive industry. In order to meet such requirements, the addition of several alloying elements has been started to be investigated. In this work, the additions of V, B, and Sr on feedability and tensile properties of A360 has been studied. A mold design that consisted of test bars has been produced. Initially, a simulation was carried out to optimize the runners, filling, and solidification parameters. Following the tests, it was found that V addition revealed the highest UTS but low elongation at fracture, while B addition exhibited visa verse. On the other hand, impact energy was higher with B additions.
더 가벼운 무게의 감소된 두께와 더 높은 강도에 대한 요구는 자동차 산업의 초점이 되었습니다. 이러한 요구 사항을 충족하기 위해 여러 합금 원소의 추가가 조사되기 시작했습니다. 이 연구에서는 A360의 이송성 및 인장 특성에 대한 V, B 및 Sr의 첨가가 연구되었습니다. 시험봉으로 구성된 금형 설계가 제작되었습니다. 처음에는 러너, 충전 및 응고 매개변수를 최적화하기 위해 시뮬레이션이 수행되었습니다. 시험 결과, V 첨가는 UTS가 가장 높지만 파단 연신율은 낮았고, B 첨가는 visa verse를 나타냈다. 반면에 충격 에너지는 B 첨가에서 더 높았다.
Fig. 1. Modified Timelli mold design.Fig. 2. Microstructural images (a) unmodified alloy, (b) Sr modified, (c) V added, (d) B added.Fig. 3. Effect of Sr and V addition on the tensile properties of A360Fig. 4. Effect of Sr and B addition on the tensile properties of A360.Fig. 5. Bubbles chart of tensile properties values obtained from Weibull statistics. Fig. 6. Effect of Sr, V and B addition on the impact properties of A360.Fig. 7. SEM images on the fracture surfaces (a) V added, (b) B added.
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Liril D.SilviaDinesh K.ChandrakercSumanaGhoshaArup KDasb aDepartment of Chemical Engineering, Indian Institute of Technology, Roorkee, India bDepartment of Mechanical Engineering, Indian Institute of Technology, Roorkee, India cReactor Engineering Division, Bhabha Atomic Research Centre, Mumbai, India
Abstract
Present work reports numerical understanding of interfacial dynamics during co-flow of vapor and liquid phases of water inside a typical Boiling Water Reactor (BWR), consisting of a nuclear fuel rod bundle assembly of 7 pins in a circular array. Two representative spacings between rods in a circular array are used to carry out the simulation. In literature, flow boiling in a nuclear reactor is dealt with mechanistic models or averaged equations. Hence, in the present study using the Volume of Fluid (VOF) based multiphase model, a detailed numerical understanding of breaking and making in interfaces during flow boiling in BWR is targeted. Our work will portray near realistic vapor bubble and liquid flow dynamics in rod bundle scenario. Constant wall heat flux for fuel rod and uniform velocity of the liquid at the inlet patch is applied as a boundary condition. The saturation properties of water are taken at 30 bar pressure. Flow boiling stages involving bubble nucleation, growth, merging, local dry-out, rewetting with liquid patches, and complete dry-out are illustrated. The dry-out phenomenon with no liquid presence is numerically observed with phase fraction contours at various axial cut-sections. The quantification of the liquid phase fraction at different axial planes is plotted over time, emphasizing the progressive dry-out mechanism. A comparison of liquid-vapor distribution for inner and outer rods reveals that the inner rod’s dry-out occurs sooner than that of the outer rod. The heat transfer coefficient to identify the heat dissipation capacity of each case is also reported.
현재 작업은 원형 배열에 있는 7개의 핀으로 구성된 핵연료봉 다발 어셈블리로 구성된 일반적인 끓는 물 원자로(BWR) 내부의 물의 증기 및 액체상의 동시 흐름 동안 계면 역학에 대한 수치적 이해를 보고합니다.
원형 배열의 막대 사이에 두 개의 대표적인 간격이 시뮬레이션을 수행하는 데 사용됩니다. 문헌에서 원자로의 유동 비등은 기계론적 모델 또는 평균 방정식으로 처리됩니다.
따라서 VOF(Volume of Fluid) 기반 다상 모델을 사용하는 본 연구에서는 BWR에서 유동 비등 동안 계면의 파괴 및 생성에 대한 자세한 수치적 이해를 목표로 합니다.
우리의 작업은 막대 번들 시나리오에서 거의 사실적인 증기 기포 및 액체 흐름 역학을 묘사합니다. 연료봉에 대한 일정한 벽 열유속과 입구 패치에서 액체의 균일한 속도가 경계 조건으로 적용됩니다. 물의 포화 특성은 30bar 압력에서 취합니다.
기포 핵 생성, 성장, 병합, 국소 건조, 액체 패치로 재습윤 및 완전한 건조를 포함하는 유동 비등 단계가 설명됩니다. 액체가 존재하지 않는 건조 현상은 다양한 축 단면에서 위상 분율 윤곽으로 수치적으로 관찰됩니다.
다른 축 평면에서 액상 분율의 정량화는 점진적인 건조 메커니즘을 강조하면서 시간이 지남에 따라 표시됩니다. 내부 막대와 외부 막대의 액-증기 분포를 비교하면 내부 막대의 건조가 외부 막대보다 더 빨리 발생함을 알 수 있습니다. 각 경우의 방열 용량을 식별하기 위한 열 전달 계수도 보고됩니다.
Fig. 1. A typical Boiling Water Reactor (BWR) and selected segment of study for simulationFig. 2. (a-c) dimensions and mesh configuration for G = 6 mm; (d-f) dimensions and mesh configuration for G = 0.6 mmFig. 3. Simulating the effect of spacer (a) Spacer configuration around rod bundle (b) Mesh structure in spacer zone (c) Distribution of vapor bubbles in a rod bundle with
spacer (d) Liquid phase fraction comparison for geometry with and without spacer (e,f,g) Wall temperature comparison for geometry with and without spacer; WS: With
Spacer, WOS: Without Spacer; Temperature in the y-axis is in (f) and (g) is same as (e).Fig. 4. Validation of the present numerical model with crossflow boiling over a heated cylindrical rod [40]Fig. 5. Grid-Independent study in terms of vapor volume in 1/4th of computational domainFig. 6. Interface contour for G = 6 mm; ul = 1.2 m/s; q˙ w = 396 kW/m2; they are showing nucleation, growth, merging, and pseudo-steady-state condition.Fig. 7. Interface contours for G = 0.6 mm; ul = 1.2 m/s; q˙ w = 396 kW/m2; It shows dry-out at pseudo-steady-state near the exitFig. 8. Vapor-liquid distribution across various distant cross-sections (Black color indicates liquid; Gray color indicates vapor); Magnification factor: 1 × (for a and b),
1.5 × (for c and d)Fig. 21. Two-phase flow mixture velocity (u¯z); for G = 6 mm, r = 5 means location at inner heated wall and r = 25 means location at outer adiabatic wall; for G = 0.66
mm, r = 5 means location at inner heated wall and r = 16.6 mm means location at outer adiabatic wall.
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Investigating the breach outflow hydrograph is an essential task to conduct mitigation plans and flood warnings. In the present study, the spatial dam breach is simulated by using a three-dimensional computational fluid dynamics model, FLOW-3D. The model parameters were adjusted by making a comparison with a previous experimental model. The different parameters (initial breach shape, dimensions, location, and dam slopes) are studied to investigate their effects on dam breaching. The results indicate that these parameters have a significant impact. The maximum erosion rate and peak outflow for the rectangular shape are higher than those for the V-notch by 8.85% and 5%, respectively. Increasing breach width or decreasing depth by 5% leads to increasing maximum erosion rate by 11% and 15%, respectively. Increasing the downstream slope angle by 4° leads to an increase in both peak outflow and maximum erosion rate by 2.0% and 6.0%, respectively.
유출 유출 수문곡선을 조사하는 것은 완화 계획 및 홍수 경보를 수행하는 데 필수적인 작업입니다. 본 연구에서는 3차원 전산유체역학 모델인 FLOW-3D를 사용하여 공간 댐 붕괴를 시뮬레이션합니다. 이전 실험 모델과 비교하여 모델 매개변수를 조정했습니다.
다양한 매개변수(초기 붕괴 형태, 치수, 위치 및 댐 경사)가 댐 붕괴에 미치는 영향을 조사하기 위해 연구됩니다. 결과는 이러한 매개변수가 상당한 영향을 미친다는 것을 나타냅니다. 직사각형 형태의 최대 침식율과 최대 유출량은 V-notch보다 각각 8.85%, 5% 높게 나타났습니다.
위반 폭을 늘리거나 깊이를 5% 줄이면 최대 침식률이 각각 11% 및 15% 증가합니다. 하류 경사각을 4° 증가시키면 최대 유출량과 최대 침식률이 각각 2.0% 및 6.0% 증가합니다.
Keywords
Spatial dam breach; FLOW-3D; Overtopping erosion; Computational fluid dynamics (CFD)
1. Introduction
There are many purposes for dam construction, such as protection from flood disasters, water storage, and power generation. Embankment failures may have a catastrophic impact on lives and infrastructure in the downstream regions. One of the most common causes of embankment dam failure is overtopping. Once the overtopping of the dam begins, the breach formation will start in the dam body then end with the dam failure. This failure occurs within a very short time, which threatens to be very dangerous. Therefore, understanding and modeling the embankment breaching processes is essential for conducting mitigation plans, flood warnings, and forecasting flood damage.
The analysis of the dam breaching process is implemented by different techniques: comparative methods, empirical models with dimensional and dimensionless solutions, physical-based models, and parametric models. These models were described in detail [1]. Parametric modeling is commonly used to simulate breach growth as a time-dependent linear process and calculate outflow discharge from the breach using hydraulics principles [2]. Alhasan et al. [3] presented a simple one-dimensional mathematical model and a computer code to simulate the dam breaching process. These models were validated by small dams breaching during the floods in 2002 in the Czech Republic. Fread [4] developed an erosion model (BREACH) based on hydraulics principles, sediment transport, and soil mechanics to estimate breach size, time of formation, and outflow discharge. Říha et al. [5] investigated the dam break process for a cascade of small dams using a simple parametric model for piping and overtopping erosion, as well as a 2D shallow-water flow model for the flood in downstream areas. Goodarzi et al. [6] implemented mathematical and statistical methods to assess the effect of inflows and wind speeds on the dam’s overtopping failure.
Dam breaching studies can be divided into two main modes of erosion. The first mode is called “planar dam breach” where the flow overtops the whole dam width. While the second mode is called “spatial dam breach” where the flow overtops through the initial pilot channel (i.e., a channel created in the dam body). Therefore, the erosion will be in both vertical and horizontal directions [7].
The erosion process through the embankment dams occurs due to the shear stress applied by water flows. The dam breaching evolution can be divided into three stages [8], [9], but Y. Yang et al. [10] divided the breach development into five stages: Stage I, the seepage erosion; Stage II, the initial breach formation; Stage III, the head erosion; Stage IV, the breach expansion; and Stage V, the re-equilibrium of the river channel through the breach. Many experimental tests have been carried out on non-cohesive embankment dams with an initial breach to examine the effect of upstream inflow discharges on the longitudinal profile evolution and the time to inflection point[11].
Zhang et al. [12] studied the effect of changing downstream slope angle, sediment grain size, and dam crest length on erosion rates. They noticed that increasing dam crest length and decreasing downstream slope angle lead to decreasing sediment transport rate. While the increase in sediment grain size leads to an increased sediment transport rate at the initial stages. Höeg et al. [13] presented a series of field tests to investigate the stability of embankment dams made of various materials. Overtopping and piping were among the failure tests carried out for the dams composed of homogeneous rock-fill, clay, or gravel with a height of up to 6.0 m. Hakimzadeh et al. [14] constructed 40 homogeneous cohesive and non-cohesive embankment dams to study the effect of changing sediment diameter and dam height on the breaching process. They also used genetic programming (GP) to estimate the breach outflow. Refaiy et al. [15] studied different scenarios for the downstream drain geometry, such as length, height, and angle, to minimize the effect of piping phenomena and therefore increase dam safety.
Zhu et al. [16] examined the effect of headcut erosion on dam breach growth, especially in the case of cohesive dams. They found that the breach growth in non-cohesive embankments is slower than cohesive embankments due to the little effect of headcut. Schmocker and Hager [7] proposed a relationship for estimating peak outflow from the dam breach process.(1)QpQin-1=1.7exp-20hc23d5013H0
where: Qp = peak outflow discharge.
Qin = inflow discharge.
hc = critical flow depth.
d50 = mean sediment diameter.
Ho = initial dam height.
Yu et al. [17] carried out an experimental study for homogeneous non-cohesive embankment dams in a 180° bending rectangular flume to determine the effect of overtopping flows on breaching formation. They found that the main factors influencing breach formation are water level, river discharge, and embankment material diameter.
Wu et al. [18] carried out a series of experiments to investigate the effect of breaching geometry on both non-cohesive and cohesive embankment dams in a U-bend flume due to overtopping flows. In the case of non-cohesive embankments, the non-symmetrical lateral expansion was noticed during the breach formation. This expansion was described by a coefficient ranging from 2.7 to 3.3.
The numerical models of the dam breach can be categorized according to different parameters, such as flow dimensions (1D, 2D, or 3D), flow governing equations, and solution methods. The 1D models are mainly used to predict the outflow hydrograph from the dam breach. Saberi et al. [19] applied the 1D Saint-Venant equation, which is solved by the finite difference method to investigate the outflow hydrograph during dam overtopping failure. Because of the ability to study dam profile evolution and breach formation, 2D models are more applicable than 1D models. Guan et al. [20] and Wu et al. [21] employed both 2D shallow water equations (SWEs) and sediment erosion equations, which are solved by the finite volume method to study the effect of the dam’s geometry parameters on outflow hydrograph and dam profile evolution. Wang et al. [22] also proposed a second-order hybrid-type of total variation diminishing (TVD) finite-difference to estimate the breach outflow by solving the 2D (SWEs). The accuracy of (SWEs) for both vertical flow contraction and surface roughness has been assessed [23]. They noted that the accuracy of (SWEs) is acceptable for milder slopes, but in the case of steeper slopes, modelers should be more careful. Generally, the accuracy of 2D models is still low, especially with velocity distribution over the flow depth, lateral momentum exchange, density-driven flows, and bottom friction[24]. Therefore, 3D models are preferred. Larocque et al. [25] and Yang et al. [26] started to use three-dimensional (3D) models that depend on the Reynolds-averaged Navier-Stokes (RANS) equations.
Previous experimental studies concluded that there is no clear relationship between the peak outflow from the dam breach and the initial breach characteristics. Some of these studies depend on the sharp-crested weir fixed at the end of the flume to determine the peak outflow from the breach, which leads to a decrease in the accuracy of outflow calculations at the microscale. The main goals of this study are to carry out a numerical simulation for a spatial dam breach due to overtopping flows by using (FLOW-3D) software to find an empirical equation for the peak outflow discharge from the breach and determine the worst-case that leads to accelerating the dam breaching process.
2. Numerical simulation
The current study for spatial dam breach is simulated by using (FLOW-3D) software [27], which is a powerful computational fluid dynamics (CFD) program.
2.1. Geometric presentations
A stereolithographic (STL) file is prepared for each change in the initial breach geometry and dimensions. The CAD program is useful for creating solid objects and converting them to STL format, as shown in Fig. 1.
2.2. Governing equations
The governing equations for water flow are three-dimensional Reynolds Averaged Navier-Stokes equations (RANS).
The momentum equation:(3)∂ui∂t+1VFuj∂ui∂xj=1ρ∂∂xj-pδij+ν∂ui∂xj+∂uj∂xi-ρu`iu`j¯
where u is time-averaged velocity,ν is kinematic viscosity, VF is fractional volume open to flow, p is averaged pressure and -u`iu`j¯ are components of Reynold’s stress. The Volume of Fluid (VOF) technique is used to simulate the free surface profile. Hirt et al. [28] presented the VOF algorithm, which employs the function (F) to express the occupancy of each grid cell with fluid. The value of (F) varies from zero to unity. Zero value refers to no fluid in the grid cell, while the unity value refers to the grid cell being fully occupied with fluid. The free surface is formed in the grid cells having (F) values between zero and unity.(4)∂F∂t+1VF∂∂xFAxu+∂∂yFAyv+∂∂zFAzw=0
where (u, v, w) are the velocity components in (x, y, z) coordinates, respectively, and (Ax, Ay, Az) are the area fractions.
2.3. Boundary and initial conditions
To improve the accuracy of the results, the boundary conditions should be carefully determined. In this study, two mesh blocks are used to minimize the time consumed in the simulation. The boundary conditions for mesh block 1 are as follows: The inlet and sides boundaries are defined as a wall boundary condition (wall boundary condition is usually used for bound fluid by solid regions. In the case of viscous flows, no-slip means that the tangential velocity is equal to the wall velocity and the normal velocity is zero), the outlet is defined as a symmetry boundary condition (symmetry boundary condition is usually used to reduce computational effort during CFD simulation. This condition allows the flow to be transferred from one mesh block to another. No inputs are required for this boundary condition except that its location should be defined accurately), the bottom boundary is defined as a uniform flow rate boundary condition, and the top boundary is defined as a specific pressure boundary condition with assigned atmospheric pressure. The boundary conditions for mesh block 2 are as follows: The inlet is defined as a symmetry boundary condition, the outlet is defined as a free flow boundary condition, the bottom and sides boundaries are defined as a wall boundary condition, and the top boundary is defined as a specific pressure boundary condition with assigned atmospheric pressure as shown in Fig. 2. The initial conditions required to be set for the fluid (i.e., water) inside of the domain include configuration, temperature, velocities, and pressure distribution. The configuration of water depends on the dimensions and shape of the dam reservoir. While the other conditions have been assigned as follows: temperature is normal water temperature (25 °c) and pressure distribution is hydrostatic with no initial velocity.
2.4. Numerical method
FLOW-3D uses the finite volume method (FVM) to solve the governing equation (Reynolds-averaged Navier-Stokes) over the computational domain. A finite-volume method is an Eulerian approach for representing and evaluating partial differential equations in algebraic equations form [29]. At discrete points on the mesh geometry, values are determined. Finite volume expresses a small volume surrounding each node point on a mesh. In this method, the divergence theorem is used to convert volume integrals with a divergence term to surface integrals. After that, these terms are evaluated as fluxes at each finite volume’s surfaces.
2.5. Turbulent models
Turbulence is the chaotic, unstable motion of fluids that occurs when there are insufficient stabilizing viscous forces. In FLOW-3D, there are six turbulence models available: the Prandtl mixing length model, the one-equation turbulent energy model, the two-equation (k – ε) model, the Renormalization-Group (RNG) model, the two-equation (k – ω) models, and a large eddy simulation (LES) model. For simulating flow motion, the RNG model is adopted to simulate the motion behavior better than the k – ε and k – ω.
models [30]. The RNG model consists of two main equations for the turbulent kinetic energy KT and its dissipation.εT(5)∂kT∂t+1VFuAx∂kT∂x+vAy∂kT∂y+wAz∂kT∂z=PT+GT+DiffKT-εT(6)∂εT∂t+1VFuAx∂εT∂x+vAy∂εT∂y+wAz∂εT∂z=C1.εTKTPT+c3.GT+Diffε-c2εT2kT
where KT is the turbulent kinetic energy, PT is the turbulent kinetic energy production, GT is the buoyancy turbulence energy, εT is the turbulent energy dissipation rate, DiffKT and Diffε are terms of diffusion, c1, c2 and c3 are dimensionless parameters, in which c1 and c3 have a constant value of 1.42 and 0.2, respectively, c2 is computed from the turbulent kinetic energy (KT) and turbulent production (PT) terms.
2.6. Sediment scour model
The sediment scour model available in FLOW-3D can calculate all the sediment transport processes including Entrainment transport, Bedload transport, Suspended transport, and Deposition. The erosion process starts once the water flows remove the grains from the packed bed and carry them into suspension. It happens when the applied shear stress by water flows exceeds critical shear stress. This process is represented by entrainment transport in the numerical model. After entrained, the grains carried by water flow are represented by suspended load transport. After that, some suspended grains resort to settling because of the combined effect of gravity, buoyancy, and friction. This process is described through a deposition. Finally, the grains sliding motions are represented by bedload transport in the model. For the entrainment process, the shear stress applied by the fluid motion on the packed bed surface is calculated using the standard wall function as shown in Eq.7.(7)ks,i=Cs,i∗d50
where ks,i is the Nikuradse roughness and Cs,i is a user-defined coefficient. The critical bed shear stress is defined by a dimensionless parameter called the critical shields number as expressed in Eq.8.(8)θcr,i=τcr,i‖g‖diρi-ρf
where θcr,i is the critical shields number, τcr,i is the critical bed shear stress, g is the absolute value of gravity acceleration, di is the diameter of the sediment grain, ρi is the density of the sediment species (i) and ρf is the density of the fluid. The value of the critical shields number is determined according to the Soulsby-Whitehouse equation.(9)θcr,i=0.31+1.2d∗,i+0.0551-exp-0.02d∗,i
where d∗,i is the dimensionless diameter of the sediment, given by Eq.10.(10)d∗,i=diρfρi-ρf‖g‖μf213
where μf is the fluid dynamic viscosity. For the sloping bed interface, the value of the critical shields number is modified according to Eq.11.(11)θ`cr,i=θcr,icosψsinβ+cos2βtan2φi-sin2ψsin2βtanφi
where θ`cr,i is the modified critical shields number, φi is the angle of repose for the sediment, β is the angle of bed slope and ψ is the angle between the flow and the upslope direction. The effects of the rolling, hopping, and sliding motions of grains along the packed bed surface are taken by the bedload transport process. The volumetric bedload transport rate (qb,i) per width of the bed is expressed in Eq.12.(12)qb,i=Φi‖g‖ρi-ρfρfdi312
where Φi is the dimensionless bedload transport rate is calculated by using Meyer Peter and Müller equation.(13)Φi=βMPM,iθi-θ`cr,i1.5cb,i
where βMPM,i is the Meyer Peter and Müller user-defined coefficient and cb,i is the volume fraction of species i in the bed material. The suspended load transport is calculated as shown in Eq.14.(14)∂Cs,i∂t+∇∙Cs,ius,i=∇∙∇DCs,i
where Cs,i is the suspended sediment mass concentration, D is the diffusivity, and us,i is the grain velocity of species i. Entrainment and deposition are two opposing processes that take place at the same time. The lifting and settling velocities for both entrainment and deposition processes are calculated according to Eq.15 and Eq.16, respectively.(15)ulifting,i=αid∗,i0.3θi-θ`cr,igdiρiρf-1(16)usettling,i=υfdi10.362+1.049d∗,i3-10.36
where αi is the entrainment coefficient of species i and υf is the kinematic viscosity of the fluid.
2.7. Grid type
Using simple rectangular orthogonal elements in planes and hexahedral in volumes in the (FLOW-3D) program makes the mesh generation process easier, decreases the required memory, and improves numerical accuracy. Two mesh blocks were used in a joined form with a size ratio of 2:1. The first mesh block is coarser, which contains the reservoir water, and the second mesh block is finer, which contains the dam. For achieving accuracy and efficiency in results, the mesh size is determined by using a grid convergence test. The optimum uniform cell size for the first mesh block is 0.012 m and for the second mesh block is 0.006 m.
2.8. Time step
The maximum time step size is determined by using a Courant number, which controls the distance that the flow will travel during the simulation time step. In this study, the Courant number was taken equal to 0.25 to prevent the flow from traveling through more than one cell in the time step. Based on the Courant number, a maximum time step value of 0.00075 s was determined.
2.9. Numerical model validation
The numerical model accuracy was achieved by comparing the numerical model results with previous experimental results. The experimental study of Schmocker and Hager [7] was based on 31 tests with changes in six parameters (d50, Ho, Bo, Lk, XD, and Qin). All experimental tests were conducted in a straight open glass-sided flume. The horizontal flume has a rectangular cross-section with a width of 0.4 m and a height of 0.7 m. The flume was provided with a flow straightener and an intake with a length of 0.66 m. All tested dams were inserted at various distances (XD) from the intake. Test No.1 from this experimental program was chosen to validate the numerical model. The different parameters used in test No.1 are as follows:
(1) uniform sediment with a mean diameter (d50 = 0.31 mm), (2) Ho = 0.2 m, (3) Bo = 0.2 m, (4) Lk = 0.1 m,
(5) XD = 1.0 m, (6) Qin = 6.0 lit/s, (7) Su and Sd = 2:1, (8) mass density (ρs = 2650 kg/m3) (9) Homogenous and non-cohesive embankment dam. As shown in Fig. 2, the simulation is contained within a rectangular grid with dimensions: 3.56 m in the x-direction (where 0.66 m is used as inlet, 0.9 m as dam base width, and 1.0 m as outlet), in y-direction 0.2 m (dam length), and in the z-direction 0.3 m, which represents the dam height (0.2 m) with a free distance (0.1 m) above the dam. There are two main reasons that this experimental program is preferred for the validation process. The first reason is that this program deals with homogenous, non-cohesive soil, which is available in FLOW-3D. The second reason is that this program deals with small-scale models which saves time for numerical simulation. Finally, some important assumptions were considered during the validation process. The flow is assumed to be incompressible, viscous, turbulent, and three-dimensional.
By comparing dam profiles at different time instants for the experimental test with the current numerical model, it appears that the numerical model gives good agreement as shown in Fig. 3 and Fig. 4, with an average error percentage of 9% between the experimental results and the numerical model.
3. Analysis and discussions
The current model is used to study the effects of different parameters such as (initial breach shapes, dimensions, locations, upstream and downstream dam slopes) on the peak outflow discharge, QP, time of peak outflow, tP, and rate of erosion, E.
This study consists of a group of scenarios. The first scenario is changing the shapes of the initial breach according to Singh [1], the most predicted shapes are rectangular and V-notch as shown in Fig. 5. The second scenario is changing the initial breach dimensions (i.e., width and depth). While the third scenario is changing the location of the initial breach. Eventually, the last scenario is changing the upstream and downstream dam slopes.
All scenarios of this study were carried out under the same conditions such as inflow discharge value (Qin=1.0lit/s), dimensions of the tested dam, where dam height (Ho=0.20m), crest width.
(Lk=0.1m), dam length (Bo=0.20m), and homogenous & non-cohesive soil with a mean diameter (d50=0.31mm).
3.1. Dam breaching process evolution
The dam breaching process is a very complex process due to the quick changes in hydrodynamic conditions during dam failure. The dam breaching process starts once water flows reach the downstream face of the dam. During the initial stage of dam breaching, the erosion process is relatively quiet due to low velocities of flow. As water flows continuously, erosion rates increase, especially in two main zones: the crest and the downstream face. As soon as the dam crest is totally eroded, the water levels in the dam reservoir decrease rapidly, accompanied by excessive erosion in the dam body. The erosion process continues until the water levels in the dam reservoir equal the remaining height of the dam.
According to Zhou et al. [11], the breaching process consists of three main stages. The first stage starts with beginning overtopping flow, then ends when the erosion point directed upstream and reached the inflection point at the inflection time (ti). The second stage starts from the end of the stage1 until the occurrence of peak outflow discharge at the peak outflow time (tP). The third stage starts from the end of the stage2 until the value of outflow discharge becomes the same as the value of inflow discharge at the final time (tf). The outflow discharge from the dam breach increases rapidly during stage1 and stage2 because of the large dam storage capacity (i.e., the dam reservoir is totally full of water) and excessive erosion. While at stage3, the outflow values start to decrease slowly because most of the dam’s storage capacity was run out. The end of stage3 indicates that the dam storage capacity was totally run out, so the outflow equalized with the inflow discharge as shown in Fig. 6 and Fig. 7.
3.2. The effect of initial breach shape
To identify the effect of the initial breach shape on the evolution of the dam breaching process. Three tests were carried out with different cross-section areas for each shape. The initial breach is created at the center of the dam crest. Each test had an ID to make the process of arranging data easier. The rectangular shape had an ID (Rec5h & 5b), which means that its depth and width are equal to 5% of the dam height, and the V-notch shape had an ID (V-noch5h & 1:1) which means that its depth is equal to 5% of the dam height and its side slope is equal to 1:1. The comparison between rectangular and V-notch shapes is done by calculating the ratio between maximum dam height at different times (ZMax) to the initial dam height (Ho), rate of erosion, and hydrograph of outflow discharge for each test. The rectangular shape achieves maximum erosion rate and minimum inflection time, in addition to a rapid decrease in the dam reservoir levels. Therefore, the dam breaching is faster in the case of a rectangular shape than in a V-notch shape, which has the same cross-section area as shown in Fig. 8.
Also, by comparing the hydrograph for each test, the peak outflow discharge value in the case of a rectangular shape is higher than the V-notch shape by 5% and the time of peak outflow for the rectangular shape is shorter than the V-notch shape by 9% as shown in Fig. 9.
3.3. The effect of initial breach dimensions
The results of the comparison between the different initial breach shapes indicate that the worst initial breach shape is rectangular, so the second scenario from this study concentrated on studying the effect of a change in the initial rectangular breach dimensions. Groups of tests were carried out with different depths and widths for the rectangular initial breach. The first group had a depth of 5% from the dam height and with three different widths of 5,10, and 15% from the dam height, the second group had a depth of 10% with three different widths of 5,10, and 15%, the third group had a depth of 15% with three different widths of 5,10, and 15% and the final group had a width of 15% with three different heights of 5, 10, and 15% for a rectangular breach shape. The comparison was made as in the previous section to determine the worst case that leads to the quick dam failure as shown in Fig. 10.
The results show that the (Rec 5 h&15b) test achieves a maximum erosion rate for a shorter period of time and a minimum ratio for (Zmax / Ho) as shown in Fig. 10, which leads to accelerating the dam failure process. The dam breaching process is faster with the minimum initial breach depth and maximum initial breach width. In the case of a minimum initial breach depth, the retained head of water in the dam reservoir is high and the crest width at the bottom of the initial breach (L`K) is small, so the erosion point reaches the inflection point rapidly. While in the case of the maximum initial breach width, the erosion perimeter is large.
3.4. The effect of initial breach location
The results of the comparison between the different initial rectangular breach dimensions indicate that the worst initial breach dimension is (Rec 5 h&15b), so the third scenario from this study concentrated on studying the effect of a change in the initial breach location. Three locations were checked to determine the worst case for the dam failure process. The first location is at the center of the dam crest, which was named “Center”, the second location is at mid-distance between the dam center and dam edge, which was named “Mid”, and the third location is at the dam edge, which was named “Edge” as shown in Fig. 11. According to this scenario, the results indicate that the time of peak outflow discharge (tP) is the same in the three cases, but the maximum value of the peak outflow discharge occurs at the center location. The difference in the peak outflow values between the three cases is relatively small as shown in Fig. 12.
The rates of erosion were also studied for the three cases. The results show that the maximum erosion rate occurs at the center location as shown in Fig. 13. By making a comparison between the three cases for the dam storage volume. The results show that the center location had the minimum values for the dam storage volume, which means that a large amount of water has passed to the downstream area as shown in Fig. 14. According to these results, the center location leads to increased erosion rate and accelerated dam failure process compared with the two other cases. Because the erosion occurs on both sides, but in the case of edge location, the erosion occurs on one side.
3.5. The effect of upstream and downstream dam slopes
The results of the comparison between the different initial rectangular breach locations indicate that the worst initial breach location is the center location, so the fourth scenario from this study concentrated on studying the effect of a change in the upstream (Su) and downstream (Sd) dam slopes. Three slopes were checked individually for both upstream and downstream slopes to determine the worst case for the dam failure process. The first slope value is (2H:1V), the second slope value is (2.5H:1V), and the third slope value is (3H:1V). According to this scenario, the results show that the decreasing downstream slope angle leads to increasing time of peak outflow discharge (tP) and decreasing value of peak outflow discharge. The difference in the peak outflow values between the three cases for the downstream slope is 2%, as shown in Fig. 15, but changing the upstream slope has a negligible impact on the peak outflow discharge and its time as shown in Fig. 16.
The rates of erosion were also studied in the three cases for both upstream and downstream slopes. The results show that the maximum erosion rate increases by 6.0% with an increasing downstream slope angle by 4°, as shown in Fig. 17. The results also indicate that the erosion rates aren’t affected by increasing or decreasing the upstream slope angle, as shown in Fig. 18. According to these results, increasing the downstream slope angle leads to increased erosion rate and accelerated dam failure process compared with the upstream slope angle. Because of increasing shear stress applied by water flows in case of increasing downstream slope.
According to all previous scenarios, the dimensionless peak outflow discharge QPQin is presented for a fixed dam height (Ho) and inflow discharge (Qin). Fig. 19 illustrates the relationship between QP∗=QPQin and.
Lr=ho2/3∗bo2/3Ho. The deduced relationship achieves R2=0.96.(17)QP∗=2.2807exp-2.804∗Lr
4. Conclusions
A spatial dam breaching process was simulated by using FLOW-3D Software. The validation process was performed by making a comparison between the simulated results of dam profiles and the dam profiles obtained by Schmocker and Hager [7] in their experimental study. And also, the peak outflow value recorded an error percentage of 12% between the numerical model and the experimental study. This model was used to study the effect of initial breach shape, dimensions, location, and dam slopes on peak outflow discharge, time of peak outflow, and the erosion process. By using the parameters obtained from the validation process, the results of this study can be summarized in eight points as follows.1.
The rectangular initial breach shape leads to an accelerating dam failure process compared with the V-notch.2.
The value of peak outflow discharge in the case of a rectangular initial breach is higher than the V-notch shape by 5%.3.
The time of peak outflow discharge for a rectangular initial breach is shorter than the V-notch shape by 9%.4.
The minimum depth and maximum width for the initial breach achieve maximum erosion rates (increasing breach width, b0, or decreasing breach depth, h0, by 5% from the dam height leads to an increase in the maximum rate of erosion by 11% and 15%, respectively), so the dam failure is rapid.5.
The center location of the initial breach leads to an accelerating dam failure compared with the edge location.6.
The initial breach location has a negligible effect on the peak outflow discharge value and its time.7.
Increasing the downstream slope angle by 4° leads to an increase in both peak outflow discharge and maximum rate of erosion by 2.0% and 6.0%, respectively.8.
The upstream slope has a negligible effect on the dam breaching process.
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W.E. Alphonso1, M.Bayat1,*, M. Baier 2, S. Carmignato2, J.H. Hattel1 1Department of Mechanical Engineering, Technical University of Denmark (DTU), Lyngby, Denmark 2Department of Management and Engineering – University of Padova, Padova, Italy
ABSTRACT
L-PBF(Laser Powder Bed Fusion)는 레이저 열원을 사용하여 선택적으로 통합되는 분말 층으로 복잡한 3D 금속 부품을 만드는 금속 적층 제조(MAM) 기술입니다. 처리 영역은 수십 마이크로미터 정도이므로 L-PBF를 다중 규모 제조 공정으로 만듭니다.
기체 기공의 형성 및 성장 및 용융되지 않은 분말 영역의 생성은 다중물리 모델에 의해 예측할 수 있습니다. 또한 이러한 모델을 사용하여 용융 풀 모양 및 크기, 온도 분포, 용융 풀 유체 흐름 및 입자 크기 및 형태와 같은 미세 구조 특성을 계산할 수 있습니다.
이 작업에서는 용융, 응고, 유체 흐름, 표면 장력, 열 모세관, 증발 및 광선 추적을 통한 다중 반사를 포함하는 스테인리스 스틸 316-L에 대한 충실도 다중 물리학 중간 규모 수치 모델이 개발되었습니다. 완전한 실험 설계(DoE) 방법을 사용하는 통계 연구가 수행되었으며, 여기서 불확실한 재료 특성 및 공정 매개변수, 즉 흡수율, 반동 압력(기화) 및 레이저 빔 크기가 용융수지 모양 및 크기에 미치는 영향을 분석했습니다.
또한 용융 풀 역학에 대한 위에서 언급한 불확실한 입력 매개변수의 중요성을 강조하기 위해 흡수율이 가장 큰 영향을 미치고 레이저 빔 크기가 그 뒤를 잇는 주요 효과 플롯이 생성되었습니다. 용융 풀 크기에 대한 반동 압력의 중요성은 흡수율에 따라 달라지는 용융 풀 부피와 함께 증가합니다.
모델의 예측 정확도는 유사한 공정 매개변수로 생성된 단일 트랙 실험과 시뮬레이션의 용융 풀 모양 및 크기를 비교하여 검증됩니다.
더욱이, 열 렌즈 효과는 레이저 빔 크기를 증가시켜 수치 모델에서 고려되었으며 나중에 결과적인 용융 풀 프로파일은 모델의 견고성을 보여주기 위한 실험과 비교되었습니다.
Laser Powder Bed Fusion (L-PBF) is a Metal Additive Manufacturing (MAM) technology where a complex 3D metal part is built from powder layers, which are selectively consolidated using a laser heat source. The processing zone is in the order of a few tenths of micrometer, making L-PBF a multi-scale manufacturing process. The formation and growth of gas pores and the creation of un-melted powder zones can be predicted by multiphysics models. Also, with these models, the melt pool shape and size, temperature distribution, melt pool fluid flow and its microstructural features like grain size and morphology can be calculated. In this work, a high fidelity multi-physics meso-scale numerical model is developed for stainless steel 316-L which includes melting, solidification, fluid flow, surface tension, thermo-capillarity, evaporation and multiple reflection with ray-tracing. A statistical study using a full Design of Experiments (DoE) method was conducted, wherein the impact of uncertain material properties and process parameters namely absorptivity, recoil pressure (vaporization) and laser beam size on the melt pool shape and size was analysed. Furthermore, to emphasize on the significance of the above mentioned uncertain input parameters on the melt pool dynamics, a main effects plot was created which showed that absorptivity had the highest impact followed by laser beam size. The significance of recoil pressure on the melt pool size increases with melt pool volume which is dependent on absorptivity. The prediction accuracy of the model is validated by comparing the melt pool shape and size from the simulation with single track experiments that were produced with similar process parameters. Moreover, the effect of thermal lensing was considered in the numerical model by increasing the laser beam size and later on the resultant melt pool profile was compared with experiments to show the robustness of the model.
Figure 1: a) Computational domain for single track L-PBF which includes a 200 μm thick substrate and 45 μm powder layer
thickness b) 3D temperature contour plot after scanning a single track with melt pool contours at two locations along the
scanning direction where the green region indicates the melted regions.Figure 2: Main effects plot of uncertain parameters: absorptivity, recoil pressure coefficient and laser beam radius on the melt
pool dimensions (width and depth)Figure 3: 3D temperature contours and 2D melt pool cross-sections where the melt pool is stabilized at x=500 µm from the
start of the laser initial location for cases where (a) absorptivity = 0.1, Recoil pressure coefficient B = 1 and laser beam radius
= 12 µm, (b) absorptivity = 0.1, Recoil pressure coefficient B = 20 and laser beam radius = 12 µm, (c) absorptivity = 0.1, Recoil
pressure coefficient B = 1 and laser beam radius = 18 µm, (d) absorptivity = 0.45, Recoil pressure coefficient B = 1 and laser
beam radius = 18 µm, (e) absorptivity = 0.45, Recoil pressure coefficient B = 20 and laser beam radius = 12 µm, (f) absorptivity
= 0.45, Recoil pressure coefficient B = 20 and laser beam radius = 18 µm.Figure 4: Validation of Numerical model with Recoil pressure coefficient B= 20, absorptivity = 0.45 and a) laser beam radius
= 15 µm b) laser beam radius = 20 µm
CONCLUSION
In this work, a high-fidelity multi-physics numerical model was developed for L-PBF using the FVM method in Flow-3D. The impact of uncertainty in the input parameters including absorptivity, recoil pressure and laser beam size on the melt pool is addressed using a DoE method. The DoE analysis shows that absorptivity has the highest impact on the melt pool. The recoil pressure and laser beam size only become significant once absorptivity is 0.45. Furthermore, the numerical model is validated by comparing the predicted melt pool shape and size with experiments conducted with similar process parameters wherein a high prediction accuracy is achieved by the model. In addition, the impact of thermal lensing on the melt pool dimensions by increasing the laser beam spot size is considered in the validated numerical model and the resultant melt pool is compared with experiments.
REFERENCES
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M. Bayat* , V. K. Nadimpalli, J. H. Hattel 1Department of Mechanical Engineering, Technical University of Denmark (DTU), Produktionstorvet 425, Kgs. 2800, Lyngby, Denmark
ABSTRACT
L-PBF(Laser Powder Bed Fusion)는 다양한 산업 분야에서 많은 관심을 받았으며, 주로 기존 제조 기술을 사용하여 만들 수 없었던 복잡한 토폴로지 최적화 구성 요소를 구현하는 잘 알려진 능력 덕분입니다. . 펄스 L-PBF(PL-PBF)에서 레이저의 시간적 프로파일은 주기 지속 시간과 듀티 주기 중 하나 또는 둘 다를 수정하여 변조할 수 있습니다. 따라서 레이저의 시간적 프로파일은 향후 적용을 위해 이 프로세스를 더 잘 제어할 수 있는 길을 열어주는 새로운 프로세스 매개변수로 간주될 수 있습니다. 따라서 이 작업에서 우리는 레이저의 시간적 프로파일을 변경하는 것이 PL-PBF 공정에서 용융 풀 조건과 트랙의 최종 모양 및 형상에 어떻게 영향을 미칠 수 있는지 조사하는 것을 목표로 합니다. 이와 관련하여 본 논문에서는 CFD(Computational Fluid Dynamics) 소프트웨어 패키지인 Flow-3D를 기반으로 하는 316-L 스테인리스강 PL-PBF 공정의 다중물리 수치 모델을 개발하고 이 모델을 사용하여 열과 유체를 시뮬레이션합니다. 다양한 펄스 모드에서 공정 과정 중 용융 풀 내부에서 발생하는 유동 조건. 따라서 고정된 레이저 듀티 사이클(50%)이 있는 레이저 주기 지속 시간이 용융 풀의 모양과 크기 및 최종 트랙 형태에 미치는 영향을 연구하기 위해 매개변수 연구가 수행됩니다. 더 긴 주기 기간에서 더 많은 재료가 더 큰 용융 풀 내에서 변위됨에 따라 용융 풀의 후류에 더 눈에 띄는 혹이 형성되며, 동시에 더 심각한 반동 압력을 받습니다. 또한 시뮬레이션에서 50% 듀티 사이클에서 1000μs에서 형성된 보다 대칭적인 용융 풀과 비교하여 400μs 사이클 주기에서 더 긴 용융 풀이 형성된다는 것이 관찰되었습니다. 풀 볼륨은 1000μs의 경우 더 큽니다. 매개변수 연구는 연속 트랙과 파손된 트랙 PL-PBF 사이의 경계를 설명하며, 여기서 연속 트랙은 항상 소량의 용융 재료를 유지함으로써 유지됩니다.
English Abstract
Laser Powder Bed Fusion (L-PBF) has attracted a lot of attention from various industrial sectors and mainly thanks to its well-proven well-known capacity of realizing complex topology-optimized components that have so far been impossible to make using conventional manufacturing techniques. In Pulsed L-PBF (PL-PBF), the laser’s temporal profile can be modulated via modifying either or both the cycle duration and the duty cycle. Thus, the laser’s temporal profile could be considered as a new process parameter that paves the way for a better control of this process for future applications. Therefore, in this work we aim to investigate how changing the laser’s temporal profile can affect the melt pool conditions and the final shape and geometry of a track in the PL-PBF process. In this respect, in this paper a multiphysics numerical model of the PL-PBF process of 316-L stainless steel is developed based on the computational fluid dynamics (CFD) software package Flow-3D and the model is used to simulate the heat and fluid flow conditions occurring inside the melt pool during the course of the process at different pulsing modes. Thus, a parametric study is carried out to study the influence of the laser’s cycle duration with a fixed laser duty cycle (50 %) on the shape and size of the melt pool and the final track morphology. It is noticed that at longer cycle periods, more noticeable humps form at the wake of the melt pool as more material is displaced within bigger melt pools, which are at the same time subjected to more significant recoil pressures. It is also observed in the simulations that at 50 % duty cycle, longer melt pools form at 400 μs cycle period compared to the more symmetrical melt pools formed at 1000 μs, primarily because of shorter laser off-times in the former, even though melt pool volume is bigger for the 1000 μs case. The parameteric study illustrates the boundary between a continuous track and a broken track PL-PBF wherein the continuous track is retained by always maintaining a small volume of molten material.
Figure 1: Front and side views of the computational domain. Note that the region along z and from -100 μm to +50 μm is void.Figure 2: Temperature contours and melt pool border lines at different times for the 50 % duty cycle case: (a) – (c) Δtcycle =
400 μs, (d) – (f) Δtcycle = 1000 μs and (g) – (i) Δtcycle = 3000 μs.Figure 3: Plot of melt pool volume versus time for four cases including continuous wave laser as well as 50 % duty cycle at
400 μs, 1000 μs and 3000 μs.
CONCLUSIONS
In this work a CFD model of the modulated PL-PBF process of stainless steel 316-L is developed in the commercial software package Flow-3D. The model involves physics such as solidification, melting, evaporation, convection, laser-material interaction, capillarity, Marangoni effect and the recoil pressure effect. In the current study, a parametric study is carried out to understand how the change in the cycle period duration affects the melt pool’s thermo-fluid conditions during the modulated PL-PBF process. It is observed that at the pulse mode with 50 % duty cycle and 400 μs cycle period, an overlapped chain of humps form at the wake of the melt pool and at a spatial frequency of occurrence of about 78 μm. Furthermore and as expected, it is noted that the melt pool volume, the size of the hump as well as the crater size at the end of the track, increase with increase in the cycle period duration, as more material is re-deposited at the back of the melt pool and that itself is caused by more pronounced recoil pressures. Moreover, it is noticed that due to the short off-time period of the laser in the 400 μs cycle period case, there is always an amount of liquid metal left from the previous cycle, at the time the new cycle starts. This is found to be the main reason why longer and elongated melt pools form at 400 μs cycle period, compared to the bigger, shorter and more symmetrical-like melt pools forming at the 1000 μs case. In this study PL-PBF single tracks including the broken track and the continuous track examples were studied to illustrate the boundary of this transition at a given laser scan parameter setting. At higher scan speeds, it is expected that the Plateau–Rayleigh instability will compete with the pulsing behavior to change the transition boundary between a broken and continuous track, which is suggested as future work from this study.
REFERENCES
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Using an improved Carreau constitutive model, a numerical simulation of the casting process of a type of solid propellant slurry vacuum plate casting was carried out using the Flow3D software. Through the flow process in the orifice flow channel and the combustion chamber, the flow velocity of the slurry passing through the plate flow channel was quantitatively analyzed, and the viscosity, shear rate, and leveling characteristics of the slurry in the combustion chamber were qualitatively analyzed and predicted. The pouring time, pouring quality, and flow state predicted by the numerical simulation were verified using a visual tester consisting of a vacuum plate casting system in which a pouring experiment was carried out. Studies have shown that HTPB three-component propellant slurry is a typical yielding pseudoplastic fluid. When the slurry flows through the flower plate and the airfoil, the fluid shear rate reaches its maximum value and the viscosity of the slurry decreases. The visual pouring platform was built and the experiment was controlled according to the numerically-calculated parameters, ensuring the same casting speed. The comparison between the predicted casting quality and the one obtained in the verification test resulted in an error less than 10 %. Moreover, the error between the simulated casting completion time and the process verification test result was also no more than 10 %. Last, the flow state of the slurry during the simulation was consistent with the one during the experimental test. The overall leveling of the slurry in the combustion chamber was adequate and no relatively large holes and flaws developed during the pouring process.
개선된 Carreau 구성 모델을 사용하여 FLOW-3D 소프트웨어를 사용하여 고체 추진제 슬러리 진공판 유형의 Casting Process에 대한 수치 시뮬레이션을 수행했습니다. 오리피스 유로와 연소실에서의 유동과정을 통해 판 유로를 통과하는 슬러리의 유속을 정량적으로 분석하고, 연소실에서 슬러리의 점도, 전단율, 레벨링 특성을 정성적으로 분석하하고, 예측하였습니다.
타설시간, 타설품질, 수치해석으로 예측된 유동상태는 타설실험을 수행한 진공판주조시스템으로 구성된 비주얼 테스터를 이용하여 검증하였습니다.
연구에 따르면 HTPB 3성분 추진제 슬러리는 전형적인 생성 가소성 유체입니다. 슬러리가 플라워 플레이트와 에어포일을 통과할 때 유체 전단율이 최대값에 도달하고 슬러리의 점도가 감소합니다.
시각적 주입 플랫폼이 구축되었고 동일한 주조 속도를 보장하기 위해 수치적으로 계산된 매개변수에 따라 실험이 제어되었습니다. 예측된 casting 품질과 검증 테스트에서 얻은 품질을 비교한 결과 10 % 미만의 오류가 발생했습니다.
또한 모의 casting 완료시간과 공정검증시험 결과의 오차도 10 % 이하로 나타났습니다.
마지막으로 시뮬레이션 중 슬러리의 흐름 상태는 실험 테스트 시와 일치하였다. 연소실에서 슬러리의 전체 레벨링은 적절했으며 주입 과정에서 상대적으로 큰 구멍과 결함이 발생하지 않았습니다.
Figure 1. The equipment used in the vacuum flower-plate pouring
process.Figure 2. Calculation model.Figure 3. Grid block division unit.Figure 4. Circular section of the speed cloud.Figure 5. Viscosity and shear rate distribution cloud pattern flowing
through the plate holes.Figure 6. Circular section of the viscosity and shear-rate clouds.Figure 7. Volume fraction cloud chart at different time.Figure 8. Experimental program.Figure 9. Emulation experimental device.Figure 10. Visualization of the flow state of the pulp inside the tester.
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레이저 분말 베드 퓨전(L-PBF) 적층 제조(AM)는 우수한 기계적 특성으로 그물 모양에 가까운 복잡한 부품을 생산할 수 있습니다. 그러나 빌드 실패 및 다공성과 같은 결함으로 이어지는 원치 않는 잔류 응력 및 왜곡이 L-PBF의 광범위한 적용을 방해하고 있습니다.
L-PBF의 잠재력을 최대한 실현하기 위해 잔류 변형, 용융 풀 및 다공성 형성을 예측하는 다중 규모 모델링 방법론이 개발되었습니다. L-PBF의 잔류 변형 및 응력을 부품 규모에서 예측하기 위해 고유 변형 방법을 기반으로 하는 다중 규모 프로세스 모델링 프레임워크가 제안됩니다.
고유한 변형 벡터는 마이크로 스케일에서 충실도가 높은 상세한 다층 프로세스 시뮬레이션에서 추출됩니다. 균일하지만 이방성인 변형은 잔류 왜곡 및 응력을 예측하기 위해 준 정적 평형 유한 요소 분석(FEA)에서 레이어별로 L-PBF 부품에 적용됩니다.
부품 규모에서의 잔류 변형 및 응력 예측 외에도 분말 규모의 다중물리 모델링을 수행하여 공정 매개변수, 예열 온도 및 스패터링 입자에 의해 유도된 용융 풀 변동 및 결함 형성을 연구합니다. 이러한 요인과 관련된 용융 풀 역학 및 다공성 형성 메커니즘은 시뮬레이션 및 실험을 통해 밝혀졌습니다.
제안된 부품 규모 잔류 응력 및 왜곡 모델을 기반으로 경로 계획 방법은 큰 잔류 변형 및 건물 파손을 방지하기 위해 주어진 형상에 대한 레이저 스캐닝 경로를 조정하기 위해 개발되었습니다.
연속 및 아일랜드 스캐닝 전략을 위한 기울기 기반 경로 계획이 공식화되고 공식화된 컴플라이언스 및 스트레스 최소화 문제에 대한 전체 감도 분석이 수행됩니다. 이 제안된 경로 계획 방법의 타당성과 효율성은 AconityONE L-PBF 시스템을 사용하여 실험적으로 입증되었습니다.
또한 기계 학습을 활용한 데이터 기반 프레임워크를 개발하여 L-PBF에 대한 부품 규모의 열 이력을 예측합니다. 본 연구에서는 실시간 열 이력 예측을 위해 CNN(Convolutional Neural Network)과 RNN(Recurrent Neural Network)을 포함하는 순차적 기계 학습 모델을 제안합니다.
유한 요소 해석과 비교하여 100배의 예측 속도 향상이 달성되어 실제 제작 프로세스보다 빠른 예측이 가능하고 실시간 온도 프로파일을 사용할 수 있습니다.
Laser powder bed fusion (L-PBF) additive manufacturing (AM) is capable of producing complex parts near net shape with good mechanical properties. However, undesired residual stress and distortion that lead to build failure and defects such as porosity are preventing broader applications of L-PBF. To realize the full potential of L-PBF, a multiscale modeling methodology is developed to predict residual deformation, melt pool, and porosity formation. To predict the residual deformation and stress in L-PBF at part-scale, a multiscale process modeling framework based on inherent strain method is proposed.
Inherent strain vectors are extracted from detailed multi-layer process simulation with high fidelity at micro-scale. Uniform but anisotropic strains are then applied to L-PBF part in a layer-by-layer fashion in a quasi-static equilibrium finite element analysis (FEA) to predict residual distortion and stress. Besides residual distortion and stress prediction at part scale, multiphysics modeling at powder scale is performed to study the melt pool variation and defect formation induced by process parameters, preheating temperature and spattering particles. Melt pool dynamics and porosity formation mechanisms associated with these factors are revealed through simulation and experiments.
Based on the proposed part-scale residual stress and distortion model, path planning method is developed to tailor the laser scanning path for a given geometry to prevent large residual deformation and building failures. Gradient based path planning for continuous and island scanning strategy is formulated and full sensitivity analysis for the formulated compliance- and stress-minimization problem is performed.
The feasibility and effectiveness of this proposed path planning method is demonstrated experimentally using the AconityONE L-PBF system. In addition, a data-driven framework utilizing machine learning is developed to predict the thermal history at part-scale for L-PBF.
In this work, a sequential machine learning model including convolutional neural network (CNN) and recurrent neural network (RNN), long shortterm memory unit, is proposed for real-time thermal history prediction. A 100x prediction speed improvement is achieved compared to the finite element analysis which makes the prediction faster than real fabrication process and real-time temperature profile available.
Figure 1.1: Schematic Overview of Metal Laser Powder Bed Fusion Process [2]Figure 1.2: Commercial Powder Bed Fusion SystemsFigure 1.3: Commercial Metal Components Fabricated by Powder Bed Fusion Additive Manufacturing: (a) GE Fuel Nozzle; (b) Stryker Hip Biomedical Implant.Figure 2.1: Proposed Multiscale Process Simulation FrameworkFigure 2.2: (a) Experimental Setup for In-situ Thermocouple Measurement in the EOS M290 Build Chamber; (b) Themocouple Locations on the Bottom Side of the Substrate.Figure 2.3: (a) Finite Element Model for Single Layer Thermal Analysis; (b) Deposition LayerFigure 2.4: Core-skin layer: (a) Surface Morphology; (b) Scanning Strategy; (c) Transient Temperature Distribution and Temperature History at (d) Point 1; (e) Point 2 and (f) Point 3Figure 2.5: (a) Scanning Orientation of Each Layer; (b) Finite Element Model for Micro-scale Representative VolumeFigure 2.6: Bottom Layer (a) Thermal History; (b) Plastic Strain and (c) Elastic Strain Evolution HistoryFigure 2.7: Bottom Layer Inherent Strain under Default Process Parameters along Horizontal Scanning PathFigure 2.8: Snapshots of the Element Activation ProcessFigure 2.9: Double Cantilever Beam Structure Built by the EOS M290 DMLM Process (a) Before and (b)
After Cutting off; (c) Faro Laser ScanArm V3 for Distortion MeasurementFigure 2.10: Square Canonical Structure Built by the EOS M290 DMLM ProcessFigure 2.11: Finite Element Mesh for the Square Canonical and Snapshots of Element Activation ProcessFigure 2.12: Simulated Distortion Field for the Double Cantilever Beam before Cutting off the Supports: (a) Inherent Strain Method; (b) Simufact Additive 3.1Figure 3.10: Snapshots of Temperature Profile for Single Track in Keyhole Regime (P = 250W and V = 0.5m/s) at the Preheating Temperature of 100 °Cs) at the Preheating Temperature of 500 °CFigure 3.15: Melt Pool Cross Section Comparison Between Simulation and Experiment for Single Track
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이중 여수로 간섭은 여수로가 서로 가깝게 배치될 때 수압 성능의 손실을 나타냅니다. 배수로 간섭은 물리적 실험과 수치 시뮬레이션을 모두 사용하여 조사됩니다.
이중 여수로 구성의 4개 물리적 모델의 단계 및 배출 측정값을 한국의 4개 댐 부지에서 Flow-3D 계산 결과와 비교합니다.
두 개의 배수로를 함께 사용하는 것을 각 배수로의 단일 작동과 비교합니다. 두 여수로를 동시에 운영할 경우 두 여수로를 통한 총 유량은 최대 7.6%까지 감소합니다.
간섭 계수는 단계 He가 설계 단계 Hd를 초과하고 두 배수로를 분리하는 거리 D가 배수로 너비 W에 비해 짧을 때 가장 중요합니다. 매개변수 DHd/WHe는 계산 및 측정된 간섭 계수와 매우 잘 관련됩니다.
안동댐 설계방류에 대한 홍수경로 예시는 간섭계수를 적용한 경우와 적용하지 않은 경우 저수지 수위의 차이가 42cm임을 보여줍니다. 결과적으로 댐 안전을 위해 추가 여수로의 너비(간섭 계수 포함)를 늘려야 합니다.
Dual spillway interference refers to the loss of hydraulic performance of spillways when they are placed close together. Spillway interference is examined using both physical experiments and numerical simulations. Stage and discharge measurements from four physical models with dual spillways configurations are compared to the Flow-3D computational results at four dam sites in South Korea. The conjunctive use of two spillways is compared with the singular operation of each spillway. When both spillways are operated at the same time, the total flow rate through the two spillways is reduced by up to 7.6%. Interference coefficients are most significant when the stage Heexceeds the design stage Hd and when the distance D separating two spillways is short compared to the spillway width W. The parameter DHd/WHecorrelates very well with the calculated and measured interference coefficients. A flood routing example for the design discharge at Andong dam shows a 42 cm difference in reservoir water level with and without application of the interference coefficient. Consequently, the width of additional spillways (including the interference coefficient) should be increased for dam safety.
Fig. 1. Definition sketch for dual spillwaysFig. 2. Stage-discharge rating curves for dual spillway operations.Fig. 3. Physical modeling of dual spillways: (a) Andong-1; (b) Andong-2; (c) Imha-1; and (d) Juam-1Fig. 4. Numerical modeling of dual spillways: (a) Andong-1; (b) Andong-2; (c) Imha-1; (d) Juam-1; (e) Andong-3; (f) Imha-2; (g) Imha-3; and
(h) Juam-3.Fig. 4. (Continued.)Fig. 5. Meshes and calculation domain for numerical modeling of
Andong dam.Fig. 6. Stage-discharge rating curve for existing and additional spillways (Andong-1): (a) existing spillway; (b) additional spillway; and (c) dual
spillway simulations.Fig. 7. Discharge comparison of physical experiments and numerical
simulations. The upper panel is the comparative result for the existing
spillway (ES) and the lower panel is for the additional spillway (AS) at
four dams.Fig. 8. Interference coefficients for dual spillways simulations with
various scenarios.Fig. 9. Regression model for the distance-width ratio (D=W) and head
ratio (Hd=He) by dual spillway simulationsFig. 10. Physical and numerical model validation: (a) numerical modeling; (b) solids of overflow weir of the spillway; and (c) physical models of
reservoir and spillwayFig. 11. Interference coefficients for dual spillways operations with
various scenarios. The dashed lines indicate the results of the validation
model with dual conditions of 1 þ 2, 1 þ 4, 1 þ 6, 3 þ 4, and 4 þ 5.Fig. 12. Results of reservoir operations under the PMF at Andong dam.
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Optimization of Solar CCHP Systems with Collector Enhanced by Porous Media and Nanofluid
Navid Tonekaboni,1Mahdi Feizbahr,2 Nima Tonekaboni,1Guang-Jun Jiang,3,4 and Hong-Xia Chen3,4
Abstract
태양열 집열기의 낮은 효율은 CCHP(Solar Combined Cooling, Heating, and Power) 사이클의 문제점 중 하나로 언급될 수 있습니다. 태양계를 개선하기 위해 나노유체와 다공성 매체가 태양열 집열기에 사용됩니다.
다공성 매질과 나노입자를 사용하는 장점 중 하나는 동일한 조건에서 더 많은 에너지를 흡수할 수 있다는 것입니다. 이 연구에서는 평균 일사량이 1b인 따뜻하고 건조한 지역의 600 m2 건물의 전기, 냉방 및 난방을 생성하기 위해 다공성 매질과 나노유체를 사용하여 태양열 냉난방 복합 발전(SCCHP) 시스템을 최적화했습니다.
본 논문에서는 침전물이 형성되지 않는 lb = 820 w/m2(이란) 정도까지 다공성 물질에서 나노유체의 최적량을 계산하였다. 이 연구에서 태양열 집열기는 구리 다공성 매체(95% 다공성)와 CuO 및 Al2O3 나노 유체로 향상되었습니다.
나노유체의 0.1%-0.6%가 작동 유체로 물에 추가되었습니다. 나노유체의 0.5%가 태양열 집열기 및 SCCHP 시스템에서 가장 높은 에너지 및 엑서지 효율 향상으로 이어지는 것으로 밝혀졌습니다.
본 연구에서 포물선형 집열기(PTC)의 최대 에너지 및 엑서지 효율은 각각 74.19% 및 32.6%입니다. 그림 1은 태양 CCHP의 주기를 정확하게 설명하기 위한 그래픽 초록으로 언급될 수 있습니다.
The low efficiency of solar collectors can be mentioned as one of the problems in solar combined cooling, heating, and power (CCHP) cycles. For improving solar systems, nanofluid and porous media are used in solar collectors. One of the advantages of using porous media and nanoparticles is to absorb more energy under the same conditions. In this research, a solar combined cooling, heating, and power (SCCHP) system has been optimized by porous media and nanofluid for generating electricity, cooling, and heating of a 600 m2 building in a warm and dry region with average solar radiation of Ib = 820 w/m2 in Iran. In this paper, the optimal amount of nanofluid in porous materials has been calculated to the extent that no sediment is formed. In this study, solar collectors were enhanced with copper porous media (95% porosity) and CuO and Al2O3 nanofluids. 0.1%–0.6% of the nanofluids were added to water as working fluids; it is found that 0.5% of the nanofluids lead to the highest energy and exergy efficiency enhancement in solar collectors and SCCHP systems. Maximum energy and exergy efficiency of parabolic thermal collector (PTC) riches in this study are 74.19% and 32.6%, respectively. Figure 1 can be mentioned as a graphical abstract for accurately describing the cycle of solar CCHP.
1. Introduction
Due to the increase in energy consumption, the use of clean energy is one of the important goals of human societies. In the last four decades, the use of cogeneration cycles has increased significantly due to high efficiency. Among clean energy, the use of solar energy has become more popular due to its greater availability [1]. Low efficiency of energy production, transmission, and distribution system makes a new system to generate simultaneously electricity, heating, and cooling as an essential solution to be widely used. The low efficiency of the electricity generation, transmission, and distribution system makes the CCHP system a basic solution to eliminate waste of energy. CCHP system consists of a prime mover (PM), a power generator, a heat recovery system (produce extra heating/cooling/power), and thermal energy storage (TES) [2]. Solar combined cooling, heating, and power (SCCHP) has been started three decades ago. SCCHP is a system that receives its propulsive force from solar energy; in this cycle, solar collectors play the role of propulsive for generating power in this system [3].
Increasing the rate of energy consumption in the whole world because of the low efficiency of energy production, transmission, and distribution system causes a new cogeneration system to generate electricity, heating, and cooling energy as an essential solution to be widely used. Building energy utilization fundamentally includes power required for lighting, home electrical appliances, warming and cooling of building inside, and boiling water. Domestic usage contributes to an average of 35% of the world’s total energy consumption [4].
Due to the availability of solar energy in all areas, solar collectors can be used to obtain the propulsive power required for the CCHP cycle. Solar energy is the main source of energy in renewable applications. For selecting a suitable area to use solar collectors, annual sunshine hours, the number of sunny days, minus temperature and frosty days, and the windy status of the region are essentially considered [5]. Iran, with an average of more than 300 sunny days, is one of the suitable countries to use solar energy. Due to the fact that most of the solar radiation is in the southern regions of Iran, also the concentration of cities is low in these areas, and transmission lines are far apart, one of the best options is to use CCHP cycles based on solar collectors [6]. One of the major problems of solar collectors is their low efficiency [7]. Low efficiency increases the area of collectors, which increases the initial cost of solar systems and of course increases the initial payback period. To increase the efficiency of solar collectors and improve their performance, porous materials and nanofluids are used to increase their workability.
There are two ways to increase the efficiency of solar collectors and mechanical and fluid improvement. In the first method, using porous materials or helical filaments inside the collector pipes causes turbulence of the flow and increases heat transfer. In the second method, using nanofluids or salt and other materials increases the heat transfer of water. The use of porous materials has grown up immensely over the past twenty years. Porous materials, especially copper porous foam, are widely used in solar collectors. Due to the high contact surface area, porous media are appropriate candidates for solar collectors [8]. A number of researchers investigated Solar System performance in accordance with energy and exergy analyses. Zhai et al. [9] reviewed the performance of a small solar-powered system in which the energy efficiency was 44.7% and the electrical efficiency was 16.9%.
Abbasi et al. [10] proposed an innovative multiobjective optimization to optimize the design of a cogeneration system. Results showed the CCHP system based on an internal diesel combustion engine was the applicable alternative at all regions with different climates. The diesel engine can supply the electrical requirement of 31.0% and heating demand of 3.8% for building.
Jiang et al. [11] combined the experiment and simulation together to analyze the performance of a cogeneration system. Moreover, some research focused on CCHP systems using solar energy. It integrated sustainable and renewable technologies in the CCHP, like PV, Stirling engine, and parabolic trough collector (PTC) [2, 12–15].
Wang et al. [16] optimized a cogeneration solar cooling system with a Rankine cycle and ejector to reach the maximum total system efficiency of 55.9%. Jing et al. analyzed a big-scale building with the SCCHP system and auxiliary heaters to produced electrical, cooling, and heating power. The maximum energy efficiency reported in their work is 46.6% [17]. Various optimization methods have been used to improve the cogeneration system, minimum system size, and performance, such as genetic algorithm [18, 19].
Hirasawa et al. [20] investigated the effect of using porous media to reduce thermal waste in solar systems. They used the high-porosity metal foam on top of the flat plate solar collector and observed that thermal waste decreased by 7% due to natural heat transfer. Many researchers study the efficiency improvement of the solar collector by changing the collector’s shapes or working fluids. However, the most effective method is the use of nanofluids in the solar collector as working fluid [21]. In the experimental study done by Jouybari et al. [22], the efficiency enhancement up to 8.1% was achieved by adding nanofluid in a flat plate collector. In this research, by adding porous materials to the solar collector, collector efficiency increased up to 92% in a low flow regime. Subramani et al. [23] analyzed the thermal performance of the parabolic solar collector with Al2O3 nanofluid. They conducted their experiments with Reynolds number range 2401 to 7202 and mass flow rate 0.0083 to 0.05 kg/s. The maximum efficiency improvement in this experiment was 56% at 0.05 kg/s mass flow rate.
Shojaeizadeh et al. [24] investigated the analysis of the second law of thermodynamic on the flat plate solar collector using Al2O3/water nanofluid. Their research showed that energy efficiency rose up to 1.9% and the exergy efficiency increased by a maximum of 0.72% compared to pure water. Tiwari et al. [25] researched on the thermal performance of solar flat plate collectors for working fluid water with different nanofluids. The result showed that using 1.5% (optimum) particle volume fraction of Al2O3 nanofluid as an absorbing medium causes the thermal efficiency to enhance up to 31.64%.
The effect of porous media and nanofluids on solar collectors has already been investigated in the literature but the SCCHP system with a collector embedded by both porous media and nanofluid for enhancing the ratio of nanoparticle in nanofluid for preventing sedimentation was not discussed. In this research, the amount of energy and exergy of the solar CCHP cycles with parabolic solar collectors in both base and improved modes with a porous material (copper foam with 95% porosity) and nanofluid with different ratios of nanoparticles was calculated. In the first step, it is planned to design a CCHP system based on the required load, and, in the next step, it will analyze the energy and exergy of the system in a basic and optimize mode. In the optimize mode, enhanced solar collectors with porous material and nanofluid in different ratios (0.1%–0.7%) were used to optimize the ratio of nanofluids to prevent sedimentation.
2. Cycle Description
CCHP is one of the methods to enhance energy efficiency and reduce energy loss and costs. The SCCHP system used a solar collector as a prime mover of the cogeneration system and assisted the boiler to generate vapor for the turbine. Hot water flows from the expander to the absorption chiller in summer or to the radiator or fan coil in winter. Finally, before the hot water wants to flow back to the storage tank, it flows inside a heat exchanger for generating domestic hot water [26].
For designing of solar cogeneration system and its analysis, it is necessary to calculate the electrical, heating (heating load is the load required for the production of warm water and space heating), and cooling load required for the case study considered in a residential building with an area of 600 m2 in the warm region of Iran (Zahedan). In Table 1, the average of the required loads is shown for the different months of a year (average of electrical, heating, and cooling load calculated with CARRIER software).Table 1The average amount of electric charges, heating load, and cooling load used in the different months of the year in the city of Zahedan for a residential building with 600 m2.
According to Table 1, the maximum magnitude of heating, cooling, and electrical loads is used to calculate the cogeneration system. The maximum electric load is 96 kW, the maximum amount of heating load is 62 kW, and the maximum cooling load is 118 kW. Since the calculated loads are average, all loads increased up to 10% for the confidence coefficient. With the obtained values, the solar collector area and other cogeneration system components are calculated. The cogeneration cycle is capable of producing 105 kW electric power, 140 kW cooling capacity, and 100 kW heating power.
2.1. System Analysis Equations
An analysis is done by considering the following assumptions:(1)The system operates under steady-state conditions(2)The system is designed for the warm region of Iran (Zahedan) with average solar radiation Ib = 820 w/m2(3)The pressure drops in heat exchangers, separators, storage tanks, and pipes are ignored(4)The pressure drop is negligible in all processes and no expectable chemical reactions occurred in the processes(5)Potential, kinetic, and chemical exergy are not considered due to their insignificance(6)Pumps have been discontinued due to insignificance throughout the process(7)All components are assumed adiabatic
Schematic shape of the cogeneration cycle is shown in Figure 1 and all data are given in Table 2.
Figure 1Schematic shape of the cogeneration cycle.Table 2Temperature and humidity of different points of system.
Based on the first law of thermodynamic, energy analysis is based on the following steps.
First of all, the estimated solar radiation energy on collector has been calculated:where α is the heat transfer enhancement coefficient based on porous materials added to the collector’s pipes. The coefficient α is increased by the porosity percentage, the type of porous material (in this case, copper with a porosity percentage of 95), and the flow of fluid to the collector equation.
Collector efficiency is going to be calculated by the following equation [9]:
Total energy received by the collector is given by [9]
In the last step based on thermodynamic second law, exergy efficiency has been calculated from the following equation and the above-mentioned calculated loads [9]:
3. Porous Media
The porous medium that filled the test section is copper foam with a porosity of 95%. The foams are determined in Figure 2 and also detailed thermophysical parameters and dimensions are shown in Table 3.
Figure 2Copper foam with a porosity of 95%.Table 3Thermophysical parameters and dimensions of copper foam.
In solar collectors, copper porous materials are suitable for use at low temperatures and have an easier and faster manufacturing process than ceramic porous materials. Due to the high coefficient conductivity of copper, the use of copper metallic foam to increase heat transfer is certainly more efficient in solar collectors.
Porous media and nanofluid in solar collector’s pipes were simulated in FLOW-3D software using the finite-difference method [27]. Nanoparticles Al2O3 and CUO are mostly used in solar collector enhancement. In this research, different concentrations of nanofluid are added to the parabolic solar collectors with porous materials (copper foam with porosity of 95%) to achieve maximum heat transfer in the porous materials before sedimentation. After analyzing PTC pipes with the nanofluid flow in FLOW-3D software, for energy and exergy efficiency analysis, Carrier software results were used as EES software input. Simulation PTC with porous media inside collector pipe and nanofluids sedimentation is shown in Figure 3.
Figure 3Simulation PTC pipes enhanced with copper foam and nanoparticles in FLOW-3D software.
3.1. Nano Fluid
In this research, copper and silver nanofluids (Al2O3, CuO) have been added with percentages of 0.1%–0.7% as the working fluids. The nanoparticle properties are given in Table 4. Also, system constant parameters are presented in Table 4, which are available as default input in the EES software.Table 4Properties of the nanoparticles [9].
System constant parameters for input in the software are shown in Table 5.Table 5System constant parameters.
The thermal properties of the nanofluid can be obtained from equations (18)–(21). The basic fluid properties are indicated by the index (bf) and the properties of the nanoparticle silver with the index (np).
The density of the mixture is shown in the following equation [28]:where ρ is density and ϕ is the nanoparticles volume fraction.
The specific heat capacity is calculated from the following equation [29]:
The thermal conductivity of the nanofluid is calculated from the following equation [29]:
The parameter β is the ratio of the nanolayer thickness to the original particle radius and, usually, this parameter is taken equal to 0.1 for the calculated thermal conductivity of the nanofluids.
The mixture viscosity is calculated as follows [30]:
In all equations, instead of water properties, working fluids with nanofluid are used. All of the above equations and parameters are entered in the EES software for calculating the energy and exergy of solar collectors and the SCCHP cycle. All calculation repeats for both nanofluids with different concentrations of nanofluid in the solar collector’s pipe.
4. Results and Discussion
In the present study, relations were written according to Wang et al. [16] and the system analysis was performed to ensure the correctness of the code. The energy and exergy charts are plotted based on the main values of the paper and are shown in Figures 4 and 5. The error rate in this simulation is 1.07%.
Figure 4Verification charts of energy analysis results.
Figure 5Verification charts of exergy analysis results.
We may also investigate the application of machine learning paradigms [31–41] and various hybrid, advanced optimization approaches that are enhanced in terms of exploration and intensification [42–55], and intelligent model studies [56–61] as well, for example, methods such as particle swarm optimizer (PSO) [60, 62], differential search (DS) [63], ant colony optimizer (ACO) [61, 64, 65], Harris hawks optimizer (HHO) [66], grey wolf optimizer (GWO) [53, 67], differential evolution (DE) [68, 69], and other fusion and boosted systems [41, 46, 48, 50, 54, 55, 70, 71].
At the first step, the collector is modified with porous copper foam material. 14 cases have been considered for the analysis of the SCCHP system (Table 6). It should be noted that the adding of porous media causes an additional pressure drop inside the collector [9, 22–26, 30, 72]. All fourteen cases use copper foam with a porosity of 95 percent. To simulate the effect of porous materials and nanofluids, the first solar PTC pipes have been simulated in the FLOW-3D software and then porous media (copper foam with porosity of 95%) and fluid flow with nanoparticles (AL2O3 and CUO) are generated in the software. After analyzing PTC pipes in FLOW-3D software, for analyzing energy and exergy efficiency, software outputs were used as EES software input for optimization ratio of sedimentation and calculating energy and exergy analyses.Table 6Collectors with different percentages of nanofluids and porous media.
In this research, an enhanced solar collector with both porous media and Nanofluid is investigated. In the present study, 0.1–0.5% CuO and Al2O3 concentration were added to the collector fully filled by porous media to achieve maximum energy and exergy efficiencies of solar CCHP systems. All steps of the investigation are shown in Table 6.
Energy and exergy analyses of parabolic solar collectors and SCCHP systems are shown in Figures 6 and 7.
Figure 6Energy and exergy efficiencies of the PTC with porous media and nanofluid.
Figure 7Energy and exergy efficiency of the SCCHP.
Results show that the highest energy and exergy efficiencies are 74.19% and 32.6%, respectively, that is achieved in Step 12 (parabolic collectors with filled porous media and 0.5% Al2O3). In the second step, the maximum energy efficiency of SCCHP systems with fourteen steps of simulation are shown in Figure 7.
In the second step, where 0.1, −0.6% of the nanofluids were added, it is found that 0.5% leads to the highest energy and exergy efficiency enhancement in solar collectors and SCCHP systems. Using concentrations more than 0.5% leads to sediment in the solar collector’s pipe and a decrease of porosity in the pipe [73]. According to Figure 7, maximum energy and exergy efficiencies of SCCHP are achieved in Step 12. In this step energy efficiency is 54.49% and exergy efficiency is 18.29%. In steps 13 and 14, with increasing concentration of CUO and Al2O3 nanofluid solution in porous materials, decreasing of energy and exergy efficiency of PTC and SCCHP system at the same time happened. This decrease in efficiency is due to the formation of sediment in the porous material. Calculations and simulations have shown that porous materials more than 0.5% nanofluids inside the collector pipe cause sediment and disturb the porosity of porous materials and pressure drop and reduce the coefficient of performance of the cogeneration system. Most experience showed that CUO and AL2O3 nanofluids with less than 0.6% percent solution are used in the investigation on the solar collectors at low temperatures and discharges [74]. One of the important points of this research is that the best ratio of nanofluids in the solar collector with a low temperature is 0.5% (AL2O3 and CUO); with this replacement, the cost of solar collectors and SCCHP cycle is reduced.
5. Conclusion and Future Directions
In the present study, ways for increasing the efficiency of solar collectors in order to enhance the efficiency of the SCCHP cycle are examined. The research is aimed at adding both porous materials and nanofluids for estimating the best ratio of nanofluid for enhanced solar collector and protecting sedimentation in porous media. By adding porous materials (copper foam with porosity of 95%) and 0.5% nanofluids together, high efficiency in solar parabolic collectors can be achieved. The novelty in this research is the addition of both nanofluids and porous materials and calculating the best ratio for preventing sedimentation and pressure drop in solar collector’s pipe. In this study, it was observed that, by adding 0.5% of AL2O3 nanofluid in working fluids, the energy efficiency of PTC rises to 74.19% and exergy efficiency is grown up to 32.6%. In SCCHP cycle, energy efficiency is 54.49% and exergy efficiency is 18.29%.
In this research, parabolic solar collectors fully filled by porous media (copper foam with a porosity of 95) are investigated. In the next step, parabolic solar collectors in the SCCHP cycle were simultaneously filled by porous media and different percentages of Al2O3 and CuO nanofluid. At this step, values of 0.1% to 0.6% of each nanofluid were added to the working fluid, and the efficiency of the energy and exergy of the collectors and the SCCHP cycle were determined. In this case, nanofluid and the porous media were used together in the solar collector and maximum efficiency achieved. 0.5% of both nanofluids were used to achieve the biggest efficiency enhancement.
In the present study, as expected, the highest efficiency is for the parabolic solar collector fully filled by porous material (copper foam with a porosity of 95%) and 0.5% Al2O3. Results of the present study are as follows:(1)The average enhancement of collectors’ efficiency using porous media and nanofluids is 28%.(2)Solutions with 0.1 to 0.5% of nanofluids (CuO and Al2O3) are used to prevent collectors from sediment occurrence in porous media.(3)Collector of solar cogeneration cycles that is enhanced by both porous media and nanofluid has higher efficiency, and the stability of output temperature is more as well.(4)By using 0.6% of the nanofluids in the enhanced parabolic solar collectors with copper porous materials, sedimentation occurs and makes a high-pressure drop in the solar collector’s pipe which causes decrease in energy efficiency.(5)Average enhancement of SCCHP cycle efficiency is enhanced by both porous media and nanofluid 13%.
Nomenclature
:
Solar radiation
a:
Heat transfer augmentation coefficient
A:
Solar collector area
Bf:
Basic fluid
:
Specific heat capacity of the nanofluid
F:
Constant of air dilution
:
Thermal conductivity of the nanofluid
:
Thermal conductivity of the basic fluid
:
Viscosity of the nanofluid
:
Viscosity of the basic fluid
:
Collector efficiency
:
Collector energy receives
:
Auxiliary boiler heat
:
Expander energy
:
Gas energy
:
Screw expander work
:
Cooling load, in kilowatts
:
Heating load, in kilowatts
:
Solar radiation energy on collector, in Joule
:
Sanitary hot water load
Np:
Nanoparticle
:
Energy efficiency
:
Heat exchanger efficiency
:
Sun exergy
:
Collector exergy
:
Natural gas exergy
:
Expander exergy
:
Cooling exergy
:
Heating exergy
:
Exergy efficiency
:
Steam mass flow rate
:
Hot water mass flow rate
:
Specific heat capacity of water
:
Power output form by the screw expander
Tam:
Average ambient temperature
:
Density of the mixture.
Greek symbols
ρ:
Density
ϕ:
Nanoparticles volume fraction
β:
Ratio of the nanolayer thickness.
Abbreviations
CCHP:
Combined cooling, heating, and power
EES:
Engineering equation solver.
Data Availability
For this study, data were generated by CARRIER software for the average electrical, heating, and cooling load of a residential building with 600 m2 in the city of Zahedan, Iran.
Conflicts of Interest
The authors declare that they have no conflicts of interest.
Acknowledgments
This work was partially supported by the National Natural Science Foundation of China under Contract no. 71761030 and Natural Science Foundation of Inner Mongolia under Contract no. 2019LH07003.
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The low efficiency of Collectors that absorb energy can be mentioned as one of the drawbacks in solar cogeneration cycles. In the present study, solar systems have been improved by adding porous media and Nanofluid to collectors. One advantage of using porous media and nanomaterials is to absorb more energy while the surface area is reduced. In this study, first, solar collectors are enhanced using 90% porosity copper in solar combined cooling, heating and power systems (SCCHP). Second, different percentages of CuO and Al2O3 nano-fluids are added to a flat plate and parabolic collectors to enhance thermal properties. Simulations are performed in different modes (simple parabolic collectors, simple flat plate collectors, improved flat plate collectors, parabolic collectors with porous media, and flat plate and parabolic collectors with different density of CuO and Al2O3 nanofluids). A case study is investigated for warm and dry regions with mean solar radiation Ib = 820 w / m2 in Iran. The maximum energy and exergy efficiencies are 60.12% and 18.84%, respectively, that is related to enhanced parabolic solar collectors with porous media and nanofluids. Adding porous media and nano-fluids increases an average 14.4% collector energy efficiency and 8.08% collector exergy efficiency.
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이 논문에서는 Rijke 튜브 내부의 시간 종속 유동장의 실험 연구 및 계산 시뮬레이션에서 진행한 결과를 제시하고 해석합니다. 기존의 추측과 스케일링 분석을 기반으로 한 이론적 논의가 진행됩니다. 주요 결과에는 열 구동 진동에서 중요한 역할을 하는 것으로 보이는 유사성 매개변수가 포함됩니다. 이 매개변수는 열 섭동을 속도, 압력 및 특성 길이의 제곱과 관련시킵니다. 열 진동을 압력 및 속도 진동의 결합된 효과에 기인하는 간단한 이론은 계산, 실험 및 스케일링 고려 사항을 통해 논의됩니다. 이전의 분석 이론은 열 진동을 속도 또는 압력 진동에 연결했기 때문에 현재 분석 모델은 기존 추측에 동의하고 조정합니다. Rayleigh 기준에 따라 열원은 Rijke-tube 하단에서 1/4의 임계 거리에 위치해야 공명이 발생합니다. 이 관찰은 결합이 최대화되는 임계점이 음향 속도와 압력의 곱인 음향 강도가 가장 큰 공간 위치에 해당하기 때문에 제안된 해석을 확인합니다. 수치 시뮬레이션은 Rijke 튜브 내부의 압력 진동이 열 입력이 증가함에 따라 기하급수적으로 증가한다는 것을 보여줍니다. 충분히 작은 열 입력으로 음향 싱크가 소스를 초과하고 음향 감쇠가 발생합니다. 열 입력이 임계 임계값 이상으로 증가하면 음향 싱크가 불충분해져서 내부 에너지 축적으로 인해 빠른 음향 증폭이 발생합니다.
In this paper, results proceeding from experimental studies and computational simulations of the time-dependent flowfield inside a Rijke tube are presented and interpreted. A theoretical discussion based on existing speculations and scaling analyses is carried out. The main results include a similarity parameter that appears to play an important role in the heat driven oscillations. This parameter relates heat perturbations to velocity, pressure, and the square of a characteristic length. A simple theory that attributes heat oscillations to the combined effects of pressure and velocity oscillations is discussed via computational, experimental, and scaling considerations. Since previous analytical theories link heat oscillations to either velocity or pressure oscillations, the current analytical model agrees with and reconciles between existing speculations. In compliance with the Rayleigh criterion, it is found that the heat source must be positioned at a critical distance of 1/4 from the Rijke-tube lower end for resonance to occur. This observation confirms our proposed interpretation since the critical point where coupling is maximized corresponds to a spatial location where the acoustic intensity, product of both acoustic velocities and pressures, is largest. Numerical simulations show that pressure oscillations inside the Rijke tube grow exponentially with increasing heat input With a sufficiently small heat input, the acoustic sinks exceed the sources and acoustic damping takes place. When the heat input is augmented beyond a critical threshold, acoustic sinks become insufficient causing rapid acoustic amplification by virtue of internal energy accumulation.
Fig. 2 Schematic diagram of the experimental
Rijke tubeA novel investigation of the thermoacoustic field inside a Rijke tube
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곡면에서 GMAW 기반 적층 가공의 용접 성형 특성은 중력의 영향을 크게 받습니다. 성형면의 경사각이 크면 혹 비드(hump bead)와 같은 심각한 결함이 발생합니다.
본 논문에서는 양생면에서 용접 비드 형성의 형성 특성과 제어 방법을 연구하기 위해 용접 용융 풀 유동 역학의 전산 모델을 수립하고 제안된 모델을 검증하기 위해 증착 실험을 수행하였습니다.
결과는 용접 비드 경사각(α)이 증가함에 따라 역류의 속도가 증가하고 상향 용접의 경우 α > 60°일 때 불규칙한 험프 결함이 나타나는 것으로 나타났습니다.
상부 과잉 액체의 하향 압착력과 하부 상향 유동의 반동력과 표면장력 사이의 상호작용은 용접 혹 형성의 주요 요인이었다. 하향 용접의 경우 양호한 형태를 얻을 수 있었으며, 용접 비드 경사각이 증가함에 따라 용접 높이는 감소하고 용접 폭은 증가하였습니다.
하향 및 상향 용접을 위한 곡면의 용융 거동 및 성형 특성을 기반으로 험프 결함을 제어하기 위해 위브 용접을 통한 증착 방법을 제안하였습니다.
성형 궤적의 변화로 인해 용접 방향의 중력 성분이 크게 감소하여 용융 풀 흐름의 안정성이 향상되었으며 복잡한 표면에서 안정적이고 일관된 용접 비드를 얻는 데 유리했습니다.
하향 용접과 상향 용접 사이의 단일 비드의 치수 편차는 7% 이내였으며 하향 및 상향 혼합 혼합 비드 중첩 증착에서 비드의 변동 편차는 0.45로 GMAW 기반 적층 제조 공정에서 허용될 수 있었습니다.
이러한 발견은 GMAW를 기반으로 하는 곡선 적층 적층 제조의 용접 비드 형성 제어에 기여했습니다.
The weld forming characteristics of GMAW-based additive manufacturing on curved surface are dramatically influenced by gravity. Large inclined angle of the forming surface would lead to severe defects such as hump bead. In this paper, a computational model of welding molten pool flow dynamics was established to research the forming characteristic and control method of weld bead forming on cured surface, and deposition experiments were conducted to verify the proposed model. Results indicated that the velocity of backward flows increased with the increase of weld bead tilt angle (α) and irregular hump defects appeared when α > 60° for upward welding. The interaction between the downward squeezing force of the excess liquid at the top and the recoil force of the upward flow at the bottom and the surface tension were primary factors for welding hump formation. For downward welding, a good morphology shape could be obtained, and the weld height decreased and the weld width increased with the increase of weld bead tilt angle. Based on the molten behaviors and forming characteristics on curved surface for downward and upward welding, the method of deposition with weave welding was proposed to control hump defects. Gravity component in the welding direction was significantly reduced due to the change of forming trajectory, which improved the stability of the molten pool flow and was beneficial to obtain stable and consistent weld bead on complex surface. The dimensional deviations of the single bead between downward and upward welding were within 7% and the fluctuation deviation of the bead in multi-bead overlapping deposition with mixing downward and upward welding was 0.45, which could be acceptable in GMAW-based additive manufacturing process. These findings contributed to the weld bead forming control of curve layered additive manufacturing based on GMAW.
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Keyhole Formation by Laser Drilling in Laser Powder Bed Fusion of Ti6Al4V Biomedical Alloy: Mesoscopic Computational Fluid Dynamics Simulation versus Mathematical Modelling Using Empirical Validation
Asif Ur Rehman 1,2,3,* ,† , Muhammad Arif Mahmood 4,* ,† , Fatih Pitir 1 , Metin Uymaz Salamci 2,3 , Andrei C. Popescu 4 and Ion N. Mihailescu 4
Abstract
LPBF(Laser Powder Bed fusion) 공정에서 작동 조건은 열 분포를 기반으로 레이저 유도 키홀 영역을 결정하는 데 필수적입니다. 얕은 구멍과 깊은 구멍으로 분류되는 이러한 영역은 LPBF 프로세스에서 확률과 결함 형성 강도를 제어합니다.
LPBF 프로세스의 핵심 구멍을 연구하고 제어하기 위해 수학적 및 CFD(전산 유체 역학) 모델이 제공됩니다. CFD의 경우 이산 요소 모델링 기법을 사용한 유체 체적 방법이 사용되었으며, 분말 베드 보이드 및 표면에 의한 레이저 빔 흡수를 포함하여 수학적 모델이 개발되었습니다.
동적 용융 풀 거동을 자세히 살펴봅니다. 실험적, CFD 시뮬레이션 및 분석적 컴퓨팅 결과 간에 정량적 비교가 수행되어 좋은 일치를 얻습니다.
LPBF에서 레이저 조사 영역 주변의 온도는 높은 내열성과 분말 입자 사이의 공기로 인해 분말층 주변에 비해 급격히 상승하여 레이저 횡방향 열파의 이동이 느려집니다. LPBF에서 키홀은 에너지 밀도에 의해 제어되는 얕고 깊은 키홀 모드로 분류될 수 있습니다. 에너지 밀도를 높이면 얕은 키홀 구멍 모드가 깊은 키홀 구멍 모드로 바뀝니다.
깊은 키홀 구멍의 에너지 밀도는 다중 반사와 키홀 구멍 내의 2차 반사 빔의 집중으로 인해 더 높아져 재료가 빠르게 기화됩니다.
깊은 키홀 구멍 모드에서는 온도 분포가 높기 때문에 액체 재료가 기화 온도에 가까우므로 얕은 키홀 구멍보다 구멍이 형성될 확률이 훨씬 높습니다. 온도가 급격히 상승하면 재료 밀도가 급격히 떨어지므로 비열과 융해 잠열로 인해 유체 부피가 증가합니다.
그 대가로 표면 장력을 낮추고 용융 풀 균일성에 영향을 미칩니다.
In the laser powder bed fusion (LPBF) process, the operating conditions are essential in determining laser-induced keyhole regimes based on the thermal distribution. These regimes, classified into shallow and deep keyholes, control the probability and defects formation intensity in the LPBF process. To study and control the keyhole in the LPBF process, mathematical and computational fluid dynamics (CFD) models are presented. For CFD, the volume of fluid method with the discrete element modeling technique was used, while a mathematical model was developed by including the laser beam absorption by the powder bed voids and surface. The dynamic melt pool behavior is explored in detail. Quantitative comparisons are made among experimental, CFD simulation and analytical computing results leading to a good correspondence. In LPBF, the temperature around the laser irradiation zone rises rapidly compared to the surroundings in the powder layer due to the high thermal resistance and the air between the powder particles, resulting in a slow travel of laser transverse heat waves. In LPBF, the keyhole can be classified into shallow and deep keyhole mode, controlled by the energy density. Increasing the energy density, the shallow keyhole mode transforms into the deep keyhole mode. The energy density in a deep keyhole is higher due to the multiple reflections and concentrations of secondary reflected beams within the keyhole, causing the material to vaporize quickly. Due to an elevated temperature distribution in deep keyhole mode, the probability of pores forming is much higher than in a shallow keyhole as the liquid material is close to the vaporization temperature. When the temperature increases rapidly, the material density drops quickly, thus, raising the fluid volume due to the specific heat and fusion latent heat. In return, this lowers the surface tension and affects the melt pool uniformity.
Keywords: laser powder bed fusion; computational fluid dynamics; analytical modelling; shallow and deep keyhole modes; experimental correlation
Figure 1. Powder bed schematic with voids.Figure 2. (a) Scanning electron microscopy images of Ti6Al4V powder particles and (b) simulated powder bed using
discrete element modellingFigure 3. Temperature field contour formation at various time intervals (a) 0.695 ms, (b) 0.795 ms,
(c) 0.995 ms and (d) 1.3 ms.Figure 4. Detailed view of shallow depth melt mode with temperature field at 0.695 msFigure 5. Melt flow stream traces formation at various time intervals (a) 0.695 ms, (b) 0.795 ms,
(c) 0.995 ms and (d) 1.3 msFigure 6. Density evolution of the melt pool at various time intervals (a) 0.695 ms, (b) 0.795 ms,
(c) 0.995 ms and (d) 1.3 ms.Figure 7. Un-melted and melted regions at different time intervals (a) 0.695 ms, (b) 0.795 ms,
(c) 0.995 ms and (d) 1.3 msFigure 8. Transformation from shallow depth melt flow to deep keyhole formation when laser power increased from
(a) 170 W to (b) 200 WFigure 9. Stream traces and laser beam multiple reflections in deep keyhole melt flow modeFigure 10. A comparison between analytical and CFD simulation results for peak thermal distribution value in the deep
keyhole formationFigure 11. A comparison among experiments [49], CFD and analytical simulations for deep keyhole
top width and bottom width
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선택적 레이저 용융 동안 CP-Ti의 열 거동을 연구하기 위해 무작위 패킹 분말 베드 모델을 기반으로 하는 메조스코프 시뮬레이션이 설정되었습니다. 레이저와 분말의 상호 작용에 따른 용융 풀의 특성과 레이저 출력이 용융 풀의 열 거동, 유체 역학 및 표면 형태 변화에 미치는 영향을 연구했습니다.
결과는 레이저 출력이 증가함에 따라 최대 온도, 온도 변화율, 용융 풀의 수명 및 크기가 크게 향상되었음을 보여줍니다. 또한 본 연구에서는 이중궤도 하의 용융지의 특성과 열거동을 주로 연구하였다.
두 번째 트랙의 용융 풀의 최대 온도, 수명 및 길이와 너비는 첫 번째 트랙보다 더 높고 레이저 출력이 증가함에 따라 용융 풀에서 두 번째 트랙의 길이 너비 비율이 증가함을 알 수 있습니다. 더 커집니다.
A mesoscopic simulation based on random packing powder bed model was established to study the heat behavior of CP-Ti during selective laser melting. The characteristics of the molten pool under the interaction of laser and powder, and the influence of laser power on the thermal behavior, hydrodynamics and surface morphology evolution of the molten pool were studied. The results show that with the increase of laser power, the maximum temperature, temperature change rate, lifetime of molten pool and size are greatly improved. In addition, the characteristics and heat behavior of the molten pool under the double track are mainly studied in this study. It is found that the maximum temperature, lifetime, and the length and width of the molten pool of the second track are higher than those in the first, and with the increase of laser power, the length width ratio of the second track in molten pool becomes larger.
Multiphysics Modeling of Thermal Behavior of Commercial Pure Titanium Powder During Selective Laser Melting
Keywords
Additive manufacturing
Selective laser melting
Numerical simulation
Thermal behavior
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레이저 사인파 진동(사인) 용접 및 레이저 용접(SLW)에서 1.5mm 6061/5182 알루미늄 합금 박판 랩 조인트의 수치 모델이 온도 분포와 용융 흐름을 시뮬레이션하기 위해 개발되었습니다.
SLW의 일반적인 에너지 분포와 달리 레이저 빔의 사인파 진동은 에너지 분포를 크게 균질화하고 에너지 피크를 줄였습니다. 에너지 피크는 사인 용접의 양쪽에 위치하여 톱니 모양의 단면이 형성되었습니다. 이 논문은 시뮬레이션을 통해 응고 미세구조에 대한 온도 구배(G)와 응고 속도(R)의 영향을 설명했습니다.
결과는 사인 용접의 중심이 낮은 G/R로 더 넓은 영역을 가짐으로써 더 넓은 등축 결정립 영역의 형성을 촉진하고 더 큰 GR로 인해 주상 결정립이 더 가늘다는 것을 나타냅니다. 다공성 및 비관통 용접은 레이저 사인파 진동에 의해 얻어졌습니다.
그 이유는 용융 풀의 부피가 확대되고 열쇠 구멍의 부피 비율이 감소하며 용융 풀의 난류가 완만해졌기 때문이며, 이는 용융 흐름의 고속 이미징 및 시뮬레이션 결과에서 관찰되었습니다. 두 용접부의 인장시험에서 융착선을 따라 인장파괴 형태를 보였고 사인 용접부의 인장강도가 SLW 용접부보다 유의하게 우수하였습니다.
이는 등축 결정립 영역이 넓을수록 균열 경향이 감소하고 파단 위치에 근접한 입자 크기가 미세하기 때문입니다. 결함이 없고 우수한 용접은 신에너지 자동차 산업에 매우 중요합니다.
A numerical model of 1.5 mm 6061/5182 aluminum alloys thin sheets lap joints under laser sinusoidal oscillation (sine) welding and laser welding (SLW) weld was developed to simulate temperature distribution and melt flow. Unlike the common energy distribution of SLW, the sinusoidal oscillation of laser beam greatly homogenized the energy distribution and reduced the energy peak. The energy peaks were located at both sides of the sine weld, resulting in the tooth-shaped sectional formation. This paper illustrated the effect of the temperature gradient (G) and solidification rate (R) on the solidification microstructure by simulation. Results indicated that the center of the sine weld had a wider area with low G/R, promoting the formation of a wider equiaxed grain zone, and the columnar grains were slenderer because of greater GR. The porosity-free and non-penetration welds were obtained by the laser sinusoidal oscillation. The reasons were that the molten pool volume was enlarged, the volume proportion of keyhole was reduced and the turbulence in the molten pool was gentled, which was observed by the high-speed imaging and simulation results of melt flow. The tensile test of both welds showed a tensile fracture form along the fusion line, and the tensile strength of sine weld was significantly better than that of the SLW weld. This was because that the wider equiaxed grain area reduced the tendency of cracks and the finer grain size close to the fracture location. Defect-free and excellent welds are of great significance to the new energy vehicles industry.
Keywords
Laser weldingSinusoidal oscillatingEnergy distributionNumerical simulationMolten pool flowGrain structure
Figures-Effects of sinusoidal oscillating laser beam on weld formation, melt flow and grain structure during aluminum alloys lap welding