Density | FLOW-3D

Numerical Investigation of the Local Scour for Tripod Pile Foundation

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 V_w < 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]:

(1)

\frac{\partial u}{\partial t}+\frac{1}{{{V}_{F}}}\left( u{{A}_{x}}\frac{\partial u}{\partial x}+v{{A}_{y}}\frac{\partial u}{\partial y}+w{{A}_{z}}\frac{\partial u}{\partial z} \right)=-\frac{1}{\rho }\frac{\partial p}{\partial x}+{{G}_{x}}+fx

(2)

\frac{\partial v}{\partial t}+\frac{1}{{{V}_{F}}}\left( u{{A}_{x}}\frac{\partial v}{\partial x}+v{{A}_{y}}\frac{\partial v}{\partial y}+w{{A}_{z}}\frac{\partial v}{\partial z} \right)=-\frac{1}{\rho }\frac{\partial p}{\partial y}+{{G}_{y}}+\text{f}y

(3)

\frac{\partial w}{\partial t}+\frac{1}{{{V}_{F}}}\left( u{{A}_{x}}\frac{\partial w}{\partial x}+v{{A}_{y}}\frac{\partial w}{\partial y}+w{{A}_{z}}\frac{\partial w}{\partial z} \right)=-\frac{1}{\rho }\frac{\partial p}{\partial z}+{{G}_{z}}+\text{fz}

where, respectively, u, v, and w represent the x, y, and z flow velocity components; volume fraction (VF), area fraction (A_i; I=x, y, z), water density (f), viscous force (f_i), and body force (G_i) 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].

(4)

{{u}_{lift,i}}={{\alpha }_{i}}{{n}_{s}}d_{*}^{0.3}{{\left( \theta -{{\theta }_{cr}} \right)}^{1.5}}\sqrt{\frac{\parallel g\parallel {{d}_{i}}\left( {{\rho }_{i}}-{{\rho }_{f}} \right)}{{{\rho }_{f}}}}

α𝛼_i is the Induction parameter, n_s the normal vector is parallel to the seafloor, and for the present numerical model, n_s=(0,0,1), θ𝜃_cr is the essential Shields variable, g is the accelerated by gravity, d_i is the size of the particles, ρ_i is species density in beds, and d_∗ The diameter of particles without dimensions; these values can be obtained in Eq. (5).

(5)

{{d}_{*}}={{d}_{i}}{{\left( \frac{\parallel g\parallel {{\rho }_{f}}\left( {{\rho }_{i}}-{{\rho }_{f}} \right)}{\mu _{f}^{2}} \right)}^{1/3}}

μ𝜇_f is this equation a dynamic viscosity of the fluid. c_r was determined from an equation based on Soulsby [18].

(6)

{{\theta }_{cr}}=\frac{0.3}{1+1.2{{d}_{*}}}+0.055\left[ 1-\text{exp}\left( -0.02{{d}_{*}} \right) \right]

The equation was used to determine how quickly sand particles set Eq. (7):

(7)

{{\mathbf{u}}_{\text{nsettling},i}}=\frac{{{v}_{f}}}{{{d}_{i}}}\left[ {{\left( {{10.36}^{2}}+1.049d_{*}^{3} \right)}^{0.5}}-10.36 \right]

v_f stands for fluid kinematic viscosity.

2.3.2 Transportation for bed loads

Van Rijn [19] states that the speed of bed load conveyance was determined as:

(8)

{{~}_{\text{bedload},i}}=\frac{{{q}_{b,i}}}{{{\delta }_{i}}{{c}_{b,i}}{{f}_{b}}}

f_b is the essential particle packing percentage, q_b, i is the bed load transportation rate, and c_b, I the percentage of sand by volume i. These variables can be found in Eq. (9), Eq. (10), f_b, δ𝛿_i the bed load thickness.

(9)

{{q}_{b,i}}=8{{\left[ \parallel g\parallel \left( \frac{{{\rho }_{i}}-{{\rho }_{f}}}{{{\rho }_{f}}} \right)d_{i}^{3} \right]}^{\frac{1}{2}}}

(10)

{{\delta }_{i}}=0.3d_{*}^{0.7}{{\left( \frac{\theta }{{{\theta }_{cr}}}-1 \right)}^{0.5}}{{d}_{i}}

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.

image013.png

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.

image014.png

Figure 2. The mesh block sketch

3.2 Conditional boundaries

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.

image015.png

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.

image016.png

Figure 4. Cell size effect

image017.png

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:

(11)

S=f\left(\rho, v, V, h, g, \rho s, d_{50}, \sigma g, V_w, D, d, T_v, t\right)

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.

image023.png

Figure 6. Results of scour depth with time

image024.png

image025.png

image026.png

image027.png

Figure 7. The sequence results of scour depth around tripod development (reached to steady state) simulation time

image028.png

image029.png

image030.png

image031.png

Figure 8. Random waves of flow velocity distribution around a tripod

4.3 Wave velocity’s (V_w) 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.

image032.png

(a)

image033.png

(b)

image034.png

(c)

image035.png

(d)

Figure 9. Main effects on maximum scour depth (S_max) 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 T_p and the wave velocity is shown by V_w_.

image037.png

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
V_f	Volume fraction
G_T	Turbulent energy of buoyancy
K_T	Turbulent velocity
P_T	Kinetic energy of the turbulence
Α_i	Induction parameter
n_s	Induction parameter
ΘΘ_cr	The essential Shields variable
D_i	Diameter of sediment
d_∗	The diameter of particles without dimensions
µ_f	Dynamic viscosity of the fluid
q_b,_i	The bed load transportation rate
C_s,i	Sand particle’s concentration of mass
D	Diameter of pile
D_f	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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An investigation of the effect of the pulse width and amplitude on sand bed scouring by a vertical submerged pulsed jet

수직 수중 펄스 제트에 의한 모래층 정련에 대한 펄스 폭과 진폭의 영향 조사

Chuan Wang ^abc, Hao Yu ^b, Yang Yang ^b, Zhenjun Gao ^c, Bin Xi ^b, Hui Wang ^b, Yulong Yao ^b

^aInternational Shipping Research Institute, GongQing Institute of Science and Technology, Jiujiang, 332020, China^bCollege of Hydraulic Science and Engineering, Yangzhou University, Yangzhou, 225009, China^cCollege of Mechanical and Power Engineering, China Three Gorges University, Yichang, 443002, China

https://doi.org/10.1016/j.oceaneng.2024.117324

Highlights

Numerical simulations and experiments were combined to investigate pulsed jet scour.
The effect mechanism of pulse amplitude on the variation of scour hole depth was analyzed.
Models for the prediction of relative low pulse width with the inlet pulse amplitude have been developed.

Abstract

This paper investigates the effects of the pulse width and amplitude on the scouring of sand beds by vertical submerged pulsed jets using a combination of experimental and numerical calculations. The reliability of the numerical calculations is verified through a comparison between the numerical simulations with the sedimentation scour model and the experimental data at a low pulse width T₂ of 0, with the result that the various errors are within 5%. The results show that the scour hole depth |h_min| grows with the relative low pulse width T₃ throughout three intervals: a slowly increasing zone I, a rapidly increasing zone II, and a decreasing zone III, producing a unique extreme value of |h_min|. The optimal scouring effect equation was obtained by analytically fitting the relationship curve between the pulse amplitude V and the relatively low pulse width T_3. Including the optimal T₃ and optimal duty cycle ƞ. The difference in the scour hole depth |h_min| under different pulse amplitudes is reflected in the initial period F of the jet. With an increasing pulse amplitude, |h_min| goes through three intervals: an increasing zone M, decreasing zone N, and rebound zone R. It is found that the scouring effect in the pulse jet is not necessarily always stronger with a larger amplitude. The results of the research in this paper can provide guidance for optimizing low-frequency pulsed jets for related engineering practices, such as dredging and rock-breaking projects.

Introduction

Submerged jet scouring technology is widely used in marine engineering and dredging projects due to its high efficiency and low cost, and a wide range of research exists on the topic (Zhang et al., 2017; Thaha et al., 2018; Lourenço et al., 2020). Numerous scholars studied the scouring caused by different forms of jets, such as propeller jets (Curulli et al., 2023; Wei et al., 2020), plane jets (Sharafati et al., 2020; Mostaani and Azimi, 2022), free-fall jets (Salmasi and Abraham, 2022; Salmasi et al., 2023), and moving jets (Wang et al., 2021). Among them, vertical jets were more popular than inclined jets due to theirs simple equipment and good silt-scouring performance (Chen et al., 2023; Wang et al., 2017). So, a large number of scholars have proposed relevant static and dynamic empirical equations for the scour depth of submerged jets. Among them, Chen et al. (2022) and Mao et al. (2023) investigated the influence of jet diameters, jet angles, exit velocities, and impinging distances on scouring effects. Finally, based on a large amount of experimental data and theoretical analysis, a semi-empirical equation for the dynamic scour depth in equilibrium was established. Amin et al. (2021) developed semi-empirical prediction equations for asymptotic lengths and empirical equations for the temporal development of lengths. Shakya et al. (2021, 2022) found that the ANN model in dimensionless form performs better than the ANN model in dimensioned form and proposed an equation for predicting the depth of static scour under submerged vertical jets using MNLR. Kartal and Emiroglu (2021) proposed an empirical equation for predicting the maximum dynamic scour depth for a submerged vertical jet with a plate at the nozzle. The effect of soil properties on jet scour has also been studied by numerous scholars. Among them, Nguyen et al. (2017) investigated the effects of compaction dry density and water content on the scour volume, critical shear stress, linear scour coefficient, and volumetric scour coefficient using a new jet-scour test device. Dong et al. (2020) investigated the effect of water content on scour hole size through experiments with a vertical submerged jet scouring a cohesive sediment bed. It was found that the depth and width of the scour holes increased with the increasing water content of the cohesive sediments, and equations for the scour depth and width in the initial stage of scouring and the calculation of the scouring rate were proposed. Kartal and Emiroglu (2023) studied the scouring characteristics of different nozzle types produced in non-cohesive sands. The results of the study found that the air entrainment rate of venturi nozzles was 2–6.5 times higher than that of circular nozzles. Cihan et al. (2022) investigated the effect of different proportions of clay and sand on propeller water jet scouring. And finally, he proposed an estimation equation for the maximum depth and length of the scour hole under equilibrium conditions. From the above summary, it is clear that a great deal of research has been carried out on submerged jet scouring under continuous jet flows.

Pulsed jets have advantages such as higher erosion rates and entrainment rates compared to continuous jets and have therefore received more attention in the development of engineering fields such as cleaning and rock breaking (Raj et al., 2019; Zhu et al., 2019; Kang et al., 2022; Y. Zhang et al., 2023). In the study of jet structure, Li et al. (2018, 2019a, 2019b, 2023) investigated the effects of the jet hole diameter, the number of jet holes, the jet distance, and the tank pressure on pulse jet cleaning. It was found that the transient pressure below the injection hole gradually increased along the airflow direction of the injection pipe, and the peak positive pressure at the inner surface of the injection pipe also increased. Liu and Shen (2019) investigated the effect of a new venturi structure on the performance of pulse jet dust removal. It was found that the longer the length of the venturi or the shorter the throat diameter of the venturi, the greater the energy loss. Zhang et al. (2023b) studied jet scouring at different angles based on FLOW-3D. It was found that counter flow scouring is better than down flow scouring. In the study of pulsed structure, Li et al. (2020) investigated the effects of different pulse amplitudes, pulse frequencies, and circumferential pressures on the rock-breaking performance. It was found that the rock-breaking performance of the jet increased with increasing pulse amplitude. However, due to the variation in pulse frequency, the rock-breaking performance does not show a clear pattern. The effect of Reynolds number on pulsating jets impinging on a plane was systematically investigated by H. H Medina et al. (2013) It was found that pulsation leads to a shorter core region of the jet, a faster decrease in the centerline axial velocity component, and a wider axial velocity distribution. Bi and Zhu (2021) investigated the effect of nozzle geometry on jet performance at low Reynolds numbers, while Luo et al. (2020) studied pulse jet propulsion at high Reynolds numbers and finally found that higher Reynolds numbers accelerate the formation of irregular vortices and symmetry-breaking instabilities. Cao et al. (2019) investigated the effect of four different pulse flushing methods on diamond core drilling efficiency. It was found that the use of intermittent rinsing methods not only increases penetration rates but also reduces rinse fluid flow and saves power.

Previous research on vertical submerged jet scouring has primarily focused on the effect of jet structure on scouring under continuous jet conditions. However, there have been fewer studies conducted on scouring under pulsed jet conditions. We found that the pulsed jet has a high erosion rate and entrainment rate, which can significantly enhance the scouring effect of the jet. Therefore, to address the research gap, this paper utilizes a combination of numerical calculations and experiments to investigate the effects of high pulse width, low pulse width, and amplitude on the scouring of vertically submerged jets. The study includes analyzing the structure of the pulsed jet flow field, studying the evolution of the scouring effect over time, and examining the relationship between the optimal pulse width, duty cycle, and amplitude. The study’s conclusions of the study can provide a reference for optimizing the performance of pulse jets in the fields of jet scouring applications, such as dredger dredging and pulse rock breaking, as well as a theoretical basis for the development of submerged pulse jets.

Section snippets

Model and calculation settings

Fig. 1 shows the geometric model of the submerged vertical jet impinging on the sand bed, which was built in Flow-3D on a 1:1 dimensional scale corresponding to the experiment. The jet scour simulation was set up between four baffles, where the top baffle was used to ensure that the jet entered only from the brass tube, and the remaining three tank baffles were used to fix the sediment and water body. The computational domain consisted of only solid and liquid components, with the specific

The effects of the pulse width on submerged jet scouring

The blocking pulsed jet, indicated as A and C in Fig. 8(a)–is discontinuous and divided into a water section and a pulse interval section. The water section in region A is not a regular shape, due to part of the water section near the side wall being affected by the wall friction and the falling speed being lower, but this also shows that the wall plays a certain buffer role. Region B of Fig. 8(a) shows the symmetrical vortex generation that occurs below the nozzle as the water section is

conclusions

In this paper, the effects of the pulse width and pulse amplitude on jet scour under submerged low-frequency pulse conditions are discussed and investigated, and the following conclusions have been reached.

(1)The errors of between the Flow-3D simulation and the experimental measurements were within 5%, which proves that the sedimentation scouring model of Flow-3D can reliably perform numerical calculation of the type considered in this paper.
(2)The change in the high pulse width T₁ in the pulse cycle

CRediT authorship contribution statement

Chuan Wang: Data curation, Conceptualization. Hao Yu: Writing – original draft. Yang Yang: Writing – review & editing, Supervision. Zhenjun Gao: Supervision, Writing – review & editing. Bin Xi: Resources, Project administration. Hui Wang: Software, Data curation. Yulong Yao: Validation, Software.

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.

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Estimating maximum initial wave amplitude of subaerial landslide tsunamis: A three-dimensional modelling approach

해저 산사태 쓰나미의 최대 초기 파동 진폭 추정: 3차원 모델링 접근법

Ramtin Sabeti ^a, Mohammad Heidarzadeh ^ab

^aDepartment of Architecture and Civil Engineering, University of Bath, Bath BA27AY, UK
^bHydroCoast Consulting Engineers Ltd, Bath, UK

https://doi.org/10.1016/j.ocemod.2024.102360

Highlights

•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.

Keywords

Tsunami, Subaerial landslide, Physical modelling, Numerical simulation, FLOW-3D HYDRO

1. Introduction and literature review

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 (W_L), 2.60 m in width (W_W), and 0.60 m in height (W_H) (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).

Lab	α(°)	V (m³)	h (m)	D (m)		(ν) (m²/s)	(σ) (N/m)	Acceptable range for avoiding scale effects*	Observed values of W and R ^⁎⁎
Lab 1	45	2.60 × 10⁻³	0.247	0.070	X₁=1.090 m	1.01 × 10⁻⁶	0.073	R > 3.0 × 10⁵	R₁ = 3.80 × 10⁵
					Y₁=1.210 m				R₁ = 3.80 × 10⁵
					Y₁=1.210 m				W₁ = 8.19 × 10⁵
					Z₁=0.050m			W >5.0 × 10³	W₁ = 8.19 × 10⁵
Lab 2	45	2.60 × 10⁻³	0.246	0.045	X₂=1.030 m	1.01 × 10⁻⁶	0.073		R₂ = 3.78 × 10⁵
					Y₂=1.210 m				W₂ = 8.13 × 10⁵
					Z₂=0.050 m				W₂ = 8.13 × 10⁵

⁎

The acceptable ranges for avoiding scale effects are based on the study by Heller et al. (2008).⁎⁎

The Reynolds number (R) is given by g^0.5h^1.5/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 (b_s)	0.26 m
Slide length (l_s)	0.20 m
Slide thickness (s)	0.10 m
Slide volume (V)	2.60 × 10⁻³ m³
Specific gravity, (γ_s)	2.60
Slide weight (m_s)	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 (O_i) and simulations (S_i) is examined using the following equation:(1)�=|��−��|×100where ε represents the mismatch error, O_i denotes the observed laboratory values, and S_i 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: l_s, slide length; b_s, slide width; s, slide thickness; γ_s, specific gravity; and V, slide volume.

Solid block	l_s (m)	b_s (m)	s (m)	V (m³)	γ_s
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 a_M, 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)	a_M (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, a_M). 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 a_M. 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 (a_M) 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 (v_s) peaks at the moment it enters the water (Fig. 5), a point referred to as the impact time (t_Imp). Following this initial impact, the slides continue their underwater movement, eventually coming to a complete halt (t_Stop). 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 (t_Stop). 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: V_air, volume of air; C_air, entrainment rate coefficient; A_s, surface area of fluid; ρ, fluid density; k, turbulent kinetic energy; g_n, gravity normal to surface; L_t, 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 u_r, 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 (a_M). 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 a_M, 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 (a_M= 0.0066 m) (Table 4). In contrast, the largest volume tested, 6.25 × 10⁻³ m³, resulted in a significantly higher initial wave amplitude (a_M= 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 a_M 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 a_M 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 a_M, 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 a_M 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 (a_M) of the 2018 Anak Krakatau subaerial landslide tsunami. Parameters: a_M, initial maximum wave amplitude; h, water depth; v_s, landslide velocity; V, slide volume; b_s, slide width; l_s, slide length; s, slide thickness; α, slope angle; and ��, volume of the final immersed landslide. We considered ��= V as the slide volume.

Event	Predictive equations	Author (year)	Observed a_M (m) ^⁎⁎	Calculated a_M (m)	Error, ε (%) ^⁎⁎⁎⁎
2018 Anak Krakatau tsunami (Subaerial landslide) *	��/ℎ=1.32��ℎ	Noda (1970)	134	134	0
	��/ℎ=0.667(0.5(��ℎ)2)0.334(��)0.754(��)0.506(�ℎ)1.631	Bolin et al. (2014) ^⁎⁎⁎	134	5942	4334
	��/ℎ=0.25(��ℎ2)0.8	Robbe-Saule et al. (2021)	134	31	77
	��/ℎ=0.4545(tan�)0.062(�ℎ3)0.296(ℎ�)−0.235	Sabeti and Heidarzadeh (2022b)	134	126	6
	��/ℎ=0.015(tan�)0.10(�ℎ3)0.911(�ℎ)0.10(ℎ�)−0.11	This study	134	130	2.9

⁎

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°; l_s=1250 m; b_s= 2700 m; v_s=44.9 m/s; D= 2500 m; a_M= 100 m −150 m.⁎⁎

a_M= An average value of a_M = 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 a_M 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.

CRediT authorship contribution statement

Ramtin Sabeti: Conceptualization, Methodology, Validation, Software, Visualization, Writing – review & editing. Mohammad Heidarzadeh: Methodology, Data curation, Software, 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.

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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Fig 1. (a) The Location of the Bahman Shir dam (upstream), (b) Bahman Shir dam (downstream dam) and (c) Mared Dam. Note: The borders of the countries are not exact.

Initial Maintenance Notes about the First River Ship Lock in Iran

M.T. Mansouri Kia^1,2, H.R. Sheibani ³, A. Hoback ⁴
¹ Manager of Dam and Power Plant Construction, Khuzestan Water and Power Authority (KWPA), Ahwaz, Iran.
² Ph.D., Department of Civil Engineering, Payame Noor University, Tehran, Iran.
³Associate Professor of PNU University, Tehran, Iran.
⁴ Professor of Civil, Architectural & Environmental Engineering, University of Detroit Mercy Civil, Rome, Italy.

Abstract

Mared Dam in northern Abadan is under construction on the Karun River and it is the first ship lock in Iran. In this study, the ship’s lock was examined. Every vessel must pass through this lock in order to transport water from Arvand River to Karun and vice versa. The interior dimensions of the Mared Shipping Lock are 160 meters long, 25 meters wide and 8 meters deep. Several important times are calculated for lock operation. 𝑇is the first time the gates open, 𝑇15 the time the initial gates remain open until the height difference between the two sides reaches 150 mm, 𝑇filled is the duration between the start of the opening the gates till the difference between the two ends becomes zero after 𝑇15. Finally, T is the total time required for opening or closing the gates completely. The rotational speeds of the gates range from 5 to 35 radians per minute. Numerical modeling has been used to study fluid behavior and interaction between fluid and gates in flow 3D software. Different lock maintenance scenarios have been analyzed. Important parameters such as inlet and outlet flow rate changes from gates, water depth changes at different times, stress and strain fields, hydrodynamic forces acting on different points of the lock have been calculated. Based on this, the forces acting on hydraulic jacks and gates have been calculated. The minimum time required for the safe passage of the ship through the lock is calculated.

북부 아바단의 마레드 댐은 카룬 강에 건설 중이며 이란 최초의 선박 잠금 장치입니다. 본 연구에서는 선박의 자물쇠를 조사하였습니다. Arvand 강에서 Karun으로 또는 그 반대로 물을 운송하려면 모든 선박이 이 수문을 통과해야 합니다.

Mared Shipping Lock의 내부 치수는 길이 160m, 너비 25m, 깊이 8m입니다. 잠금 작동을 위해 몇 가지 중요한 시간이 계산됩니다. 𝑇은 게이트가 처음 열릴 때, 𝑇15는 양쪽의 높이 차이가 150mm에 도달할 때까지 초기 게이트가 열린 상태로 유지되는 시간, 𝑇filled는 게이트가 열리는 시작부터 이후 두 끝의 차이가 0이 될 때까지의 시간입니다.

𝑇15. 마지막으로 T는 게이트를 완전히 열거나 닫는 데 필요한 총 시간입니다. 게이트의 회전 속도는 분당 5~35라디안입니다. 수치 모델링은 유동 3D 소프트웨어에서 유체 거동과 유체와 게이트 사이의 상호 작용을 연구하는 데 사용되었습니다. 다양한 잠금 유지 관리 시나리오가 분석되었습니다.

게이트의 입구 및 출구 유속 변화, 다양한 시간에 따른 수심 변화, 응력 및 변형 필드, 수문의 다양한 지점에 작용하는 유체역학적 힘과 같은 중요한 매개변수가 계산되었습니다.

이를 바탕으로 유압잭과 게이트에 작용하는 힘을 계산하였습니다. 선박이 자물쇠를 안전하게 통과하는 데 필요한 최소 시간이 계산됩니다.

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Figure 1: Scheme of liquid metal printing process

Effect of Aging Heat Treatment in an Al-4008 Produced byLiquid Metal Printing

C. M. Ladeiro
Department of Metallurgical and Materials Engineering, Faculdade de Engenharia, Universidade do Porto, Rua Dr. Roberto
Frias, 4200-465 PORTO, Portugal (up201806112@fe.up.pt) ORCID 0009-0003-8587-2309
F. L. Nunes
Department of Metallurgical and Materials Engineering, Faculdade de Engenharia, Universidade do Porto, Rua Dr. Roberto
Frias, 4200-465 PORTO, Portugal (up201806193@fe.up.pt) ORCID 0009-0000-0988-4285
M. M. Trindade
Department of Metallurgical and Materials Engineering, Faculdade de Engenharia, Universidade do Porto, Rua Dr. Roberto
Frias, 4200-465 PORTO, Portugal (up201806438@fe.up.pt) ORCID 0009-0008-1397-5321
J. M. Costa
Department of Metallurgical and Materials Engineering, Faculdade de Engenharia, Universidade do Porto and LAETA/INEGI –
Institute of Science and Innovation in Mechanical and Industrial Engineering, Rua Dr. Roberto Frias, 4200-465 PORTO,
Portugal (jose.costa@fe.up.pt) ORCID 0000-0002-1714-4671

Abstract

In today’s world, additive manufacturing (AM) is one of the most popular technologies and has the potential to revolutionize the manufacturing industry. As one of the most recent advances in this industry, liquid metal printing has a growing value in the engineering field. This study aims to evaluate the effect of two heat treatment conditions in an Al-4008 alloy produced by this technique in the microstructure and mechanical properties. It was concluded that the heat treatment (HT) enhances the Si particle coalescence and Fe-rich intermetallic compound precipitation, increasing the sample hardness significantly (50%). Density analysis showed a slight porosity decrease with HT. Tensile tests indicated heat-treated, same-directionally pulled samples exhibited brittleness compared to as-printed ones, while HT increased both yield strength (245 MPa) and ultimate tensile strength (294 MPa).

오늘날 세계에서 적층 제조(AM)는 가장 인기 있는 기술 중 하나이며 제조 산업에 혁명을 일으킬 잠재력을 가지고 있습니다. 이 업계의 가장 최근 발전 중 하나인 액체 금속 인쇄는 엔지니어링 분야에서 그 가치가 커지고 있습니다. 본 연구는 이 기술로 생산된 Al-4008 합금의 두 가지 열처리 조건이 미세 구조 및 기계적 특성에 미치는 영향을 평가하는 것을 목표로 합니다. 열처리(HT)는 Si 입자 유착과 Fe가 풍부한 금속간 화합물 침전을 향상시켜 샘플 경도를 크게(50%) 증가시키는 것으로 결론지었습니다. 밀도 분석에서는 HT를 사용하면 다공성이 약간 감소하는 것으로 나타났습니다. 인장 테스트에서는 동일한 방향으로 당겨진 열처리된 샘플이 인쇄된 샘플에 비해 취성을 보인 반면, HT는 항복 강도(245MPa)와 최대 인장 강도(294MPa)를 모두 증가시켰습니다.

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The impacts of profile concavity on turbidite deposits: Insights from the submarine canyons on global continental margins

프로필 오목부가 탁도 퇴적물에 미치는 영향: 전 세계 대륙 경계에 대한 해저 협곡의 통찰력

Kaiqi Yu ^a, Elda Miramontes ^bc, Matthieu J.B. Cartigny ^d, Yuping Yang ^a, Jingping Xu ^a
^aDepartment of Ocean Science and Engineering, Southern University of Science and Technology, 1088 Xueyuan Rd., Shenzhen 518055, Guangdong, China
^bMARUM-Center for Marine Environmental Sciences, University of Bremen, Bremen, Germany^c
Faculty of Geosciences, University of Bremen, Bremen, Germany
^dDepartment of Geography, Durham University, South Road, Durham DH1 3LE, UK

Received 10 August 2023, Revised 13 March 2024, Accepted 13 March 2024, Available online 17 March 2024, Version of Record 20 March 2024.

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Highlights

•The impact of submarine canyon concavity on turbidite deposition was assessed.
•Distribution of turbidite deposits varies with changes in canyon concavity.
•Three distinct deposition patterns were identified.
•The recognized deposition patterns align well with the observed turbidite deposits.

Abstract

Submarine canyons are primary conduits for turbidity currents transporting terrestrial sediments, nutrients, pollutants and organic carbon to the deep sea. The concavity in the longitudinal profile of these canyons (i.e. the downstream flattening rate along the profiles) influences the transport processes and results in variations in turbidite thickness, impacting the transfer and burial of particles. To better understand the controlling mechanisms of canyon concavity on the distribution of turbidite deposits, here we investigate the variation in sediment accumulation as a function of canyon concavity of 20 different modern submarine canyons, distributed on global continental margins. In order to effectively assess the isolated impact of the concavity of 20 different canyons, a series of two-dimensional, depth-resolved numerical simulations are conducted. Simulation results show that the highly concave profile (e.g. Surveyor and Horizon) tends to concentrate the turbidite deposits mainly at the slope break, while nearly straight profiles (e.g. Amazon and Congo) result in deposition focused at the canyon head. Moderately concave profiles with a smoother canyon floor (e.g. Norfolk-Washington and Mukluk) effectively facilitate the downstream transport of suspended sediments in turbidity currents. Furthermore, smooth and steep upper reaches of canyons commonly contribute to sediment bypass (i.e. Mukluk and Chirikof), while low slope angles lead to deposition at upper reaches (i.e. Bounty and Valencia). At lower reaches, the distribution of turbidite deposits is consistent with the occurrence of hydraulic jumps. Under the influence of different canyon concavities, three types of deposition patterns are inferred in this study, and verified by comparison with observed turbidite deposits on the modern or paleo-canyon floor. This study demonstrates a potential difference in sediment transport efficiency of submarine canyons with different concavities, which has potential consequences for sediment and organic carbon transport through submarine canyons.

Introduction

Submarine canyons are pivotal links in source-to-sink systems on continental margins (Sømme et al., 2009; Nyberg et al., 2018; Pope et al., 2022a, Pope et al., 2022b) that provide efficient pathways for moving prodigious volumes of terrestrial materials to the abyssal basin (Spychala et al., 2020; Heijnen et al., 2022). When turbidity currents, the main force that transports the above mentioned sediments (Xu et al., 2004; Xu, 2010; Talling et al., 2013; Stevenson et al., 2015), slow down after entering a flatter and/or wider stretch of the canyon downstream, the laden sediments settle, often rapidly, to form a deposit called turbidite that is known for organic carbon burial, hydrocarbon reserves and the accumulation of microplastics (Galy et al., 2007; Pohl et al., 2020a; Pope et al., 2022b; Pierdomenico et al., 2023). A set of flume experiments by Pohl et al. (2020b) revealed that the variation of bed slope plays a dominant role in controlling the sizes and locations of the deposit: a) a more gently dipping upper slope leads to upstream migration of upslope pinch-out; b) the increase of lower slope results in a decrease of the deposit thickness (Fig. 1a).

From upper continental slopes to deepwater basins, turbidity currents are commonly confined by submarine canyons that facilitate the longer distance transport of sediments (Eggenhuisen et al., 2022; Pope et al., 2022a; Wahab et al., 2022, Li et al., 2023a). The concavity, defined here as the downstream flattening rate of profiles (Covault et al., 2011; Chen et al., 2019; Seybold et al., 2021; Soutter et al., 2021a), of the longitudinal bed profile of the submarine canyons is therefore a key factor that determines hydrodynamic processes of turbidity currents, including the accumulation of sediments along the canyon thalweg (Covault et al., 2014; de Leeuw et al., 2016; Heerema et al., 2022; Heijnen et al., 2022). Due to the comprehensive impacts of sediment supply, grain size, climate change, regional tectonics, associated river and self-incision, the concavity of submarine canyons on global continental margins varies greatly (Parker et al., 1986; Harris and Whiteway, 2011; Casalbore et al., 2018; Nyberg et al., 2018; Soutter et al., 2021a, Li et al., 2023b), which is much more complex than the two constant slope setup of Pohl et al. (2020b)’s flume experiment (Fig. 1a). This raises the question of how the more complex concavity influences the dynamics of turbidity currents and the resultant distribution of turbidite deposits. For instance, the longitudinal profile concavity can also be increased by steepening the upper slope and/or gentling the lower slope of canyons (Fig. 1b). Parameters, known as significant factors influencing flow dynamics, include dip angle (Pohl et al., 2019), bed roughness (Baghalian and Ghodsian, 2020), obstacle presence (Howlett et al., 2019), and confinement conditions (Soutter et al., 2021b). However, the role of channel concavity in determining the downstream evolution of flow dynamics remains poorly understood (Covault et al., 2011; Georgiopoulou and Cartwright, 2013), and it is still unclear whether changes in concavity can result in different locations of pinch-out points and variations in turbidite deposit thicknesses (Pohl et al., 2020b).

In this study, we hypothesize that a more concave profile resulting from a steeper upper slope and a gentler lower slope may lead to a downstream migration of the upslope pinch-out and an increase of deposit thickness (Fig. 1b). This hypothesis is tested in 20 modern submarine canyons (shown in Fig. 2) whose longitudinal profiles are extracted from the GEBCO_2022 grid. Due to the lack of data describing the turbidite thickness trends in these canyons, we used a numerical model (FLOW-3D® software) to simulate the depositional process. The simulation results allow us to address at least two questions: (1) How does the concavity affect the distribution and thickness of turbidite deposits along the canyon thalwegs? (2) What is the impact of canyon concavity on the dynamics of the turbidity currents? Such answers on a global scale are undoubtedly helpful in understanding not only the sediment transport processes but also the efficient transfer and burial of organic carbon along global continental margins.

Section snippets

Submarine canyons used in this study

The longitudinal profiles of 20 modern submarine canyons are obtained using Global Mapper® from a public domain database GEBCO_2022 (doi:https://doi.org/10.5285/e0f0bb80-ab44-2739-e053-6c86abc0289c). The GEBCO_2022 grid provides elevation data, in meters, on a 15 arc-second interval grid. The 20 selected submarine canyons, which span the typical distance covered by turbidity currents, have been chosen from a diverse range of submarine canyon and channel systems that extend at least 250 km

Concavity of longitudinal canyon profiles

The NCI and α values of all 20 canyon profiles utilized in this study are plotted in Fig. 4, indicating the majority of these submarine canyons typically exhibit a concave profile, characterized by a negative NCI, except for the Amazon. In most of the profiles, the NCI is lower than −0.08, with the most concave point (indicated by the minimum ratio α) located closer to the canyon head than to the profile end, and their upper reaches are steeper than lower reaches, typically observed as the

Validation of the hypothesis

As previously mentioned in this paper, one of the primary objectives of this study is to evaluate the hypothesis inferred from the flume tank experiment of Pohl et al. (2020b): whether a more concave canyon profile can exert a comparable influence on turbidite deposits as the steepness of the lower and upper slopes in a slope-break system (Fig. 1). Shown as the modeling results, the deposition pattern of this study is more ‘irregular’ compared with the flume tank experiment (Pohl et al., 2020b

Conclusion

Based on global bathymetry, this study simulates the depositional behavior of turbidity currents flowing through the 20 different submarine canyons on the margins of open ocean and marginal sea. Influenced by the different concavities, the resulted deposition patterns are characterized by a variable distribution of turbidite deposits.

1)The simulation results demonstrate that the accumulation of turbidite deposits is primarily observed in downstream regions near the slope break for highly concave

CRediT authorship contribution statement

Kaiqi Yu: Writing – review & editing, Writing – original draft, Validation, Software, Methodology, Investigation, Conceptualization. Elda Miramontes: Writing – review & editing, Supervision, Conceptualization. Matthieu J.B. Cartigny: Writing – review & editing, Supervision. Yuping Yang: Software, Methodology. Jingping Xu: Writing – review & editing, Supervision, Funding acquisition, Conceptualization.

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.

Acknowledgements

This study is supported by the Shenzhen Natural Science Foundation (JCYJ20210324105211031). Matthieu J. B. Cartigny was supported by Royal Society Research Fellowship (DHF/R1/180166). We thank the Chief Editor Zhongyuan Chen, the associate editor and two reviewers for their constructive comments that helped us improve our manuscript.

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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 .

An integrated multiscale simulation guiding the processing optimisation for additively manufactured nickel-based superalloys

적층 가공된 니켈 기반 초합금의 가공 최적화를 안내하는 통합 멀티스케일 시뮬레이션

Xing He, Bing Yang, Decheng Kong, Kunjie Dai, Xiaoqing Ni, Zhanghua Chen
& Chaofang Dong

ABSTRACT

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.

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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).

Printability disparities in heterogeneous materialcombinations via laser directed energy deposition:a comparative stud

Jinsheng Ning1,6, Lida Zhu1,6,∗, Shuhao Wang2, Zhichao Yang1, Peihua Xu1,Pengsheng Xue3, Hao Lu1, Miao Yu1, Yunhang Zhao1, Jiachen Li4, Susmita Bose5 and Amit Bandyopadhyay5,∗

Abstract

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 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. — 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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Fig. 3. (a–c) Snapshots of the CtFD simulation of laser-beam irradiation: (a) Top, (b) longitudinal vertical cross-sectional, and (c) transversal vertical cross-sectional views. (d) z-position of the solid/liquid interface during melting and solidification.

Solute segregation in a rapidly solidified Hastelloy-X Ni-based superalloy during laser powder bed fusion investigated by phase-field simulations and computational thermal-fluid dynamics

Masayuki Okugawa ^ab, Kenji Saito ^a, Haruki Yoshima ^a, Katsuhiko Sawaizumi ^a, Sukeharu Nomoto ^c, Makoto Watanabe ^c, Takayoshi Nakano ^ab, Yuichiro Koizumi ^abShow moreAdd to MendeleyShareCite

https://doi.org/10.1016/j.addma.2024.104079

Get rights and content Under a Creative Commons license open access

Abstract

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 10⁸K s^-1, a characteristic feature of LPBF. Solute segregation caused a decrease in the solidus temperature (T_S), 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 T_S 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.

Graphical abstract

Keywords

Laser powder-bed fusion, Hastelloy-X Nickel-based superalloy, solute element segregation, computational thermal-fluid dynamics simulation, phase-field method

1. Introduction

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, ∆H_LV is the latent heat of vaporization, R is the gas constant, and T_V 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.

Table 1. Parameters used in the CtFD simulations.

Parameter	Symbol	Value	Reference
Density at 298.15 K	ρ	8.24 g cm^-3	[^⁎]
Liquidus temperature	T_L	1628.15 K	[^⁎]
Solidus temperature	T_S	1533.15 K	[^⁎]
Viscosity at T_L	η	6.8 g m^-1 s^-1	[^⁎]
Specific heat at 298.15 K	C_P	0.439 J g^-1 K^-1	[^⁎]
Thermal conductivity at 298.15 K	λ	10.3 W m^-1 K^-1	[^⁎]
Surface tension at T_L	γ_L	1.85 J m^-2	[^⁎]
Temperature coefficient of surface tension	dγ_L/dT	–2.5 × 10⁻⁴ J m^-2 K^-1	[^⁎]
Emissivity	Ε	0.27	[31]
Stefan–Boltzmann constant	σ	5.67 × 10^-8W m^-2 K^-4	[31]
Heat of fusion	ΔH_SL	2.76 × 10² J g^-1	[32]
Heat of vaporization	ΔH_LV	4.29 × 10³J g^-1	[32]
Vaporization temperature	T_V	3110 K	[32]

⁎

Calculated using JMatPro v11.

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 × 10⁶K s^-1, G was in the range of 3.6 × 10⁵–1.9 × 10⁷K 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], V_cs = (G × D_L) / ΔT, and planar interface growth occurs at R < V_cs. D_L 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 PDAS_2D = 1.12 × PDAS_3D 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 × 10⁷K 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 T_S, 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 T_S compared to that of the alloy composition, respectively. The lowest T_s 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 T_S 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 T_s 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, R_as, predicted by the Mullins-Sekerka theory [29]: R_as = (ΔT₀ D_L) / (k Γ) where ΔT₀, D_L, 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 R_as of HX was calculated using the equation and the thermodynamic parameters obtained by the TCNI9 thermodynamic database [39]. The calculated R_as 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 R_as 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, R_as. In this study, the solidification of the HX multicomponent system occurred under a relatively low solidification rate compared to R_as, 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 × 10⁶K 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, R_as, 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.

CRediT authorship contribution statement

Masayuki Okugawa: Writing – review & editing, Writing – original draft, Visualization, Validation, Software, Methodology, Investigation, Formal analysis, Data curation, Conceptualization. Takayoshi Nakano: Writing – review & editing, Validation, Supervision, Funding acquisition. Yuichiro Koizumi: Writing – review & editing, Visualization, Validation, Supervision, Project administration, Methodology, Investigation, Funding acquisition, Formal analysis, Data curation, Conceptualization. Sukeharu Nomoto: Writing – review & editing, Validation, Investigation. Makoto Watanabe: Writing – review & editing, Validation, Supervision, Funding acquisition. Katsuhiko Sawaizumi: Validation, Software, Investigation, Formal analysis, Data curation. Kenji Saito: Visualization, Validation, Software, Methodology, Investigation, Formal analysis, Data curation. Haruki Yoshima: Visualization, Validation, Software, Investigation, Formal analysis, Data curation.

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 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.

Appendix A. Supplementary material

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Supplementary material.

Data availability

Data will be made available on request.

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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.

Revealing formation mechanism of end of processdepression in laser powder bed fusion by multiphysics meso-scale simulation

다중물리 메조 규모 시뮬레이션을 통해 레이저 분말층 융합에서 공정 종료의 함몰 형성 메커니즘 공개

Haodong Chen ^a,b, Xin Lin ^a,b,c, Yajing Sund, Shuhao Wang^a,b, Kunpeng Zhu ^a,b,c and Binbin Dan^a,b

To link to this article: https://doi.org/10.1080/17452759.2024.2326599

ABSTRACT

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.

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Schematic diagram of HP-LPBF melting process.

Modeling and numerical studies of high-precision laser powder bed fusion

Yi Wei ;Genyu Chen;Nengru Tao;Wei Zhou
https://doi.org/10.1063/5.0191504

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.

Topics

Heat transfer, Nonequilibrium thermodynamics, Solidification process, Computer simulation, Discrete element method, Lasers, Mass transfer, Fluid mechanics, Computational fluid dynamics, Multiphase flows

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I. INTRODUCTION

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.

FIG. 1.

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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.

FIG. 2.

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Three-dimensional powder bed model: (a) coarse powder, (b) fine powder.

FIG. 3.

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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.

FIG. 4.

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Schematic diagram of VOF.

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.

FIG. 5.

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Schematic diagram of HP-LPBF melting process.

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).
- Conservation of energy, see Eq. (11)
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 T_e 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).

FIG. 6.

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Schematic diagram of observation position.

A. Single-track simulation

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).

FIG. 7.

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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).

FIG. 8.

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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

FIG. 9.

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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.

FIG. 10.

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Schematic of contact angle.

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.

FIG. 11.

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Double-track molten pool process: (a) t = 2050 ��⁠, (b) t = 2150 ��⁠, (c) t = 2300 ��⁠, (d) t = 2500 ��⁠.

FIG. 12.

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Vector plot of double-track molten pool velocity in XZ longitudinal section: (a) t = 2050 ��⁠, (b) t = 2150 ��⁠, (c) t = 2300 ��⁠, (d) t = 2500 ��⁠.

FIG. 13.

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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.

FIG. 14.

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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.

FIG. 15.

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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.

FIG. 16.

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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.

FIG. 17.

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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.

FIG. 18.

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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.

FIG. 19.

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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
100	800	0.06	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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Lab-on-a-Chip 시스템의 혈류 역학에 대한 검토: 엔지니어링 관점

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.

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KEYWORDS:

1. Introduction

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.

(6)

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.

2. Blood Flow Phenomena

ARTICLE SECTIONS

Jump To

2.1. Physiological Blood Flow Behavior

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,

(20) thickness of the CFL,

(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

(24−26)

Model	Non-Newtonian Viscosity	Parameters
Power Law	(2)	n = 0.61, k = 0.42
Carreau	(3)	μ₀ = 0.056 Pa·s, μ_∞ = 0.00345 Pa·s, λ = 3.1736 s, m = 2.406, a = 0.254
Walburn–Schneck	(4)	C₁ = 0.000797 Pa·s, C₂ = 0.0608 Pa·s, C₃ = 0.00499, C₄ = 14.585 g^–1, TPMA = 25 g/L
Carreau–Yasuda	(5)	μ₀ = 0.056 Pa·s, μ_∞ = 0.00345 Pa·s, λ = 1.902 s, n = 0.22, a = 1.25
Quemada	(6)	μ_p = 0.0012 Pa·s, k_∞ = 2.07, k₀ = 4.33, γ̇_c = 1.88 s^–1

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.

(27) The study from Apostolidis et al.

(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

(29) and the Oldroyd-B 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

(31) and thixotropy

(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.

(36)

2.2.2. Numerical Methods (FDM, FEM, FVM)

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.

(42)

2.2.3. Modeling Methods of Blood Flow Dynamics

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.

(46) The study by Xu et al.

(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

(61,62) and capillaries,

(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.

(64−70) Ye at al.

(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.

(66) Literature by Li et al.

(68) and Beris 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

Reference	Numerical methods
Li et al. (2013) (68)	Continuum-based modeling (BIM), particle-based modeling (LBM, LB-FE, SPH, DPD)
Freund (2014) (64)	RBC dynamic modeling (continuum-based modeling, complementary discrete microstructure modeling), blood flow dynamic modeling (FDM, IBM, LBM, particle-mesh methods, coupled boundary integral and mesh-based methods, DPD)
Ye et al. (2016) (65)	DPD, SPH, LBM, coupled IBM-Smoothed DPD
Arciero et al. (2017) (70)	LBM, IBM, DPD, conventional CFD Methods (FDM, FVM, FEM)
Arabghahestani et al. (2019) (66)	Particle-based methods (LBM, DPD, direct simulation Monte Carlo, molecular dynamics), SPH, conventional CFD methods (FDM, FVM, FEM)
Beris et al. (2021) (69)	DPD, smoothed DPD, IBM, LBM, BIM
Rathnayaka (2022) (67)	SPH, CG, LBM

3. Capillary Driven Blood Flow in LOC Systems

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3.1. Capillary Driven Flow Phenomena

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.

(74) is as follows:

𝑃=−𝜎(cos𝜃b+cos𝜃tℎ+cos𝜃l+cos𝜃r𝑤)�=−�(cos⁡�b+cos⁡�tℎ+cos⁡�l+cos⁡�r�)

(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

(75) can be shown below:

𝐿(𝑡)=𝑅𝜎cos(𝜃)𝑡2𝜇⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯√�(�)=��⁡cos(�)�2�

(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

_ij. The updated L–W equation by Cito

(76) is expressed as

𝐿(𝑡)=𝑅[(𝑛+13𝑛+1)(𝜎cos(𝜃)𝑅𝑘)1/𝑛𝑡]𝑛/𝑛+1�(�)=�[(�+13�+1)(�⁡cos(�)��)1/��]�/�+1

(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:

𝜃<𝜋2−𝛼sin𝛼1+2(ℎ2/𝑤)sin𝛼<cos𝜃{�<�2−�sin⁡�1+2(ℎ2/�)⁡sin⁡�<cos⁡�

(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.

(78) through Casson’s law,

(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).

4. Electro-osmotic Flow (EOF) in LOC Systems

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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.

∇·[𝐷𝑖∇𝑛𝑖−𝑢⇀𝑛𝑖+𝑛𝑖𝐷𝑖𝑧𝑖𝑒𝑘𝑏𝑇∇(𝜙+𝜓)]=0∇·[��∇��−�⇀��+��∇(�+�)]=0

(17)where D

_i, n

_i, and z

_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

∇2𝜓=(2𝑒𝑧𝑛0𝜀𝜀0)sinh(𝑧𝑒𝜓𝑘b𝑇)∇2�=(2��0��0)⁡sinh(��b�)

(18)where n

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

∂𝚯∂𝑡+𝐮·∇𝚯=𝛀Θ−ΘΩ+2𝐁+1𝜆(eΘ−𝐈)∂�∂�+�·∇�=�Θ−ΘΩ+2�+1�(eΘ−�)

(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.

(91)

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 E_app condition. Streamline of an electro-osmotic flow under E_app 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,

(1) as described below:

𝑅𝑎𝑣=𝑢ev𝑢eo=(𝛾−1𝛾+1)2𝑊𝛿2𝐸el2𝐻2𝜁𝛿Ra�=�ev�eo=(�−1�+1)2��2�el2�2��

(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:

𝜎sd=∫10(𝐶∗(𝑦∗)−𝐶m)2d𝑦∗∫10d𝑦∗⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯⎯�sd=∫01(�*(�*)−�m)2d�*∫01d�*

(24)where C*(y*) and C

_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

(97) can then be calculated as below:

𝜀𝑥=1−𝜎sd𝜎sd,0��=1−�sd�sd,0

(25)where σ

_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.

5. Summary

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5.1. Conclusion

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.

Author Information

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Corresponding Authors
- 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.

Acknowledgments

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This work was supported by the National Natural Science Foundation of China (No. 22238005) and the Postdoctoral Research Foundation of China (No. GZC20231576).

Vocabulary

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Microfluidics	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

References

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An Investigation on Hydraulic Aspects of Rectangular Labyrinth Pool and Weir Fishway Using FLOW-3D

Research Article-Civil Engineering
Open access
Published: 04 January 2024

Abstract

웨어의 두 가지 서로 다른 배열(즉, 직선형 웨어와 직사각형 미로 웨어)을 사용하여 웨어 모양, 웨어 간격, 웨어의 오리피스 존재, 흐름 영역에 대한 바닥 경사와 같은 기하학적 매개변수의 영향을 평가했습니다.

유량과 수심의 관계, 수심 평균 속도의 변화와 분포, 난류 특성, 어도에서의 에너지 소산. 흐름 조건에 미치는 영향을 조사하기 위해 FLOW-3D® 소프트웨어를 사용하여 전산 유체 역학 시뮬레이션을 수행했습니다.

수치 모델은 계산된 표면 프로파일과 속도를 문헌의 실험적으로 측정된 값과 비교하여 검증되었습니다. 수치 모델과 실험 데이터의 결과, 급락유동의 표면 프로파일과 표준화된 속도 프로파일에 대한 평균 제곱근 오차와 평균 절대 백분율 오차가 각각 0.014m와 3.11%로 나타나 수치 모델의 능력을 확인했습니다.

수영장과 둑의 흐름 특성을 예측합니다. 각 모델에 대해 L/B = 1.83(L: 웨어 거리, B: 수로 폭) 값에서 급락 흐름이 발생할 수 있고 L/B = 0.61에서 스트리밍 흐름이 발생할 수 있습니다. 직사각형 미로보 모델은 기존 모델보다 무차원 방류량(Q+)이 더 큽니다.

수중 흐름의 기존 보와 직사각형 미로 보의 경우 Q는 각각 1.56과 1.47h에 비례합니다(h: 보 위 수심). 기존 웨어의 풀 내 평균 깊이 속도는 직사각형 미로 웨어의 평균 깊이 속도보다 높습니다.

그러나 주어진 방류량, 바닥 경사 및 웨어 간격에 대해 난류 운동 에너지(TKE) 및 난류 강도(TI) 값은 기존 웨어에 비해 직사각형 미로 웨어에서 더 높습니다. 기존의 웨어는 직사각형 미로 웨어보다 에너지 소산이 더 낮습니다.

더 낮은 TKE 및 TI 값은 미로 웨어 상단, 웨어 하류 벽 모서리, 웨어 측벽과 채널 벽 사이에서 관찰되었습니다. 보와 바닥 경사면 사이의 거리가 증가함에 따라 평균 깊이 속도, 난류 운동 에너지의 평균값 및 난류 강도가 증가하고 수영장의 체적 에너지 소산이 감소했습니다.

둑에 개구부가 있으면 평균 깊이 속도와 TI 값이 증가하고 풀 내에서 가장 높은 TKE 범위가 감소하여 두 모델 모두에서 물고기를 위한 휴식 공간이 더 넓어지고(TKE가 낮아짐) 에너지 소산율이 감소했습니다.

원문보기

Two different arrangements of the weir (i.e., straight weir and rectangular labyrinth weir) were used to evaluate the effects of geometric parameters such as weir shape, weir spacing, presence of an orifice at the weir, and bed slope on the flow regime and the relationship between discharge and depth, variation and distribution of depth-averaged velocity, turbulence characteristics, and energy dissipation at the fishway. Computational fluid dynamics simulations were performed using FLOW-3D® software to examine the effects on flow conditions. The numerical model was validated by comparing the calculated surface profiles and velocities with experimentally measured values from the literature. The results of the numerical model and experimental data showed that the root-mean-square error and mean absolute percentage error for the surface profiles and normalized velocity profiles of plunging flows were 0.014 m and 3.11%, respectively, confirming the ability of the numerical model to predict the flow characteristics of the pool and weir. A plunging flow can occur at values of L/B = 1.83 (L: distance of the weir, B: width of the channel) and streaming flow at L/B = 0.61 for each model. The rectangular labyrinth weir model has larger dimensionless discharge values (Q+) than the conventional model. For the conventional weir and the rectangular labyrinth weir at submerged flow, Q is proportional to 1.56 and 1.47h, respectively (h: the water depth above the weir). The average depth velocity in the pool of a conventional weir is higher than that of a rectangular labyrinth weir. However, for a given discharge, bed slope, and weir spacing, the turbulent kinetic energy (TKE) and turbulence intensity (TI) values are higher for a rectangular labyrinth weir compared to conventional weir. The conventional weir has lower energy dissipation than the rectangular labyrinth weir. Lower TKE and TI values were observed at the top of the labyrinth weir, at the corner of the wall downstream of the weir, and between the side walls of the weir and the channel wall. As the distance between the weirs and the bottom slope increased, the average depth velocity, the average value of turbulent kinetic energy and the turbulence intensity increased, and the volumetric energy dissipation in the pool decreased. The presence of an opening in the weir increased the average depth velocity and TI values and decreased the range of highest TKE within the pool, resulted in larger resting areas for fish (lower TKE), and decreased the energy dissipation rates in both models.

1 Introduction

Artificial barriers such as detour dams, weirs, and culverts in lakes and rivers prevent fish from migrating and completing the upstream and downstream movement cycle. This chain is related to the life stage of the fish, its location, and the type of migration. Several riverine fish species instinctively migrate upstream for spawning and other needs. Conversely, downstream migration is a characteristic of early life stages [1]. A fish ladder is a waterway that allows one or more fish species to cross a specific obstacle. These structures are constructed near detour dams and other transverse structures that have prevented such migration by allowing fish to overcome obstacles [2]. The flow pattern in fish ladders influences safe and comfortable passage for ascending fish. The flow’s strong turbulence can reduce the fish’s speed, injure them, and delay or prevent them from exiting the fish ladder. In adult fish, spawning migrations are usually complex, and delays are critical to reproductive success [3].

Various fish ladders/fishways include vertical slots, denil, rock ramps, and pool weirs [1]. The choice of fish ladder usually depends on many factors, including water elevation, space available for construction, and fish species. Pool and weir structures are among the most important fish ladders that help fish overcome obstacles in streams or rivers and swim upstream [1]. Because they are easy to construct and maintain, this type of fish ladder has received considerable attention from researchers and practitioners. Such a fish ladder consists of a sloping-floor channel with series of pools directly separated by a series of weirs [4]. These fish ladders, with or without underwater openings, are generally well-suited for slopes of 10% or less [1, 2]. Within these pools, flow velocities are low and provide resting areas for fish after they enter the fish ladder. After resting in the pools, fish overcome these weirs by blasting or jumping over them [2]. There may also be an opening in the flooded portion of the weir through which the fish can swim instead of jumping over the weir. Design parameters such as the length of the pool, the height of the weir, the slope of the bottom, and the water discharge are the most important factors in determining the hydraulic structure of this type of fish ladder [3]. The flow over the weir depends on the flow depth at a given slope S0 and the pool length, either “plunging” or “streaming.” In plunging flow, the water column h over each weir creates a water jet that releases energy through turbulent mixing and diffusion mechanisms [5]. The dimensionless discharges for plunging (Q+) and streaming (Q*) flows are shown in Fig. 1, where Q is the total discharge, B is the width of the channel, w is the weir height, S₀ is the slope of the bottom, h is the water depth above the weir, d is the flow depth, and g is the acceleration due to gravity. The maximum velocity occurs near the top of the weir for plunging flow. At the water’s surface, it drops to about half [6].

Extensive experimental studies have been conducted to investigate flow patterns for various physical geometries (i.e., bed slope, pool length, and weir height) [2]. Guiny et al. [7] modified the standard design by adding vertical slots, orifices, and weirs in fishways. The efficiency of the orifices and vertical slots was related to the velocities at their entrances. In the laboratory experiments of Yagci [8], the three-dimensional (3D) mean flow and turbulence structure of a pool weir fishway combined with an orifice and a slot is investigated. It is shown that the energy dissipation per unit volume and the discharge have a linear relationship.

Considering the beneficial characteristics reported in the limited studies of researchers on the labyrinth weir in the pool-weir-type fishway, and knowing that the characteristics of flow in pool-weir-type fishways are highly dependent on the geometry of the weir, an alternative design of the rectangular labyrinth weir instead of the straight weirs in the pool-weir-type fishway is investigated in this study [7, 9]. Kim [10] conducted experiments to compare the hydraulic characteristics of three different weir types in a pool-weir-type fishway. The results show that a straight, rectangular weir with a notch is preferable to a zigzag or trapezoidal weir. Studies on natural fish passes show that pass ability can be improved by lengthening the weir’s crest [7]. Zhong et al. [11] investigated the semi-rigid weir’s hydraulic performance in the fishway’s flow field with a pool weir. The results showed that this type of fishway performed better with a lower invert slope and a smaller radius ratio but with a larger pool spacing.

Considering that an alternative method to study the flow characteristics in a fishway with a pool weir is based on numerical methods and modeling from computational fluid dynamics (CFD), which can easily change the geometry of the fishway for different flow fields, this study uses the powerful package CFD and the software FLOW-3D to evaluate the proposed weir design and compare it with the conventional one to extend the application of the fishway. The main objective of this study was to evaluate the hydraulic performance of the rectangular labyrinth pool and the weir with submerged openings in different hydraulic configurations. The primary objective of creating a new weir configuration for suitable flow patterns is evaluated based on the swimming capabilities of different fish species. Specifically, the following questions will be answered: (a) How do the various hydraulic and geometric parameters relate to the effects of water velocity and turbulence, expressed as turbulent kinetic energy (TKE) and turbulence intensity (TI) within the fishway, i.e., are conventional weirs more affected by hydraulics than rectangular labyrinth weirs? (b) Which weir configurations have the greatest effect on fish performance in the fishway? (c) In the presence of an orifice plate, does the performance of each weir configuration differ with different weir spacing, bed gradients, and flow regimes from that without an orifice plate?

2 Materials and Methods

2.1 Physical Model Configuration

This paper focuses on Ead et al. [6]’s laboratory experiments as a reference, testing ten pool weirs (Fig. 2). The experimental flume was 6 m long, 0.56 m wide, and 0.6 m high, with a bottom slope of 10%. Field measurements were made at steady flow with a maximum flow rate of 0.165 m³/s. Discharge was measured with magnetic flow meters in the inlets and water level with point meters (see Ead et al. [6]. for more details). Table 1 summarizes the experimental conditions considered for model calibration in this study.

Table 1 Experimental conditions considered for calibration

Full size table

2.2 Numerical Models

Computational fluid dynamics (CFD) simulations were performed using FLOW-3D® v11.2 to validate a series of experimental liner pool weirs by Ead et al. [6] and to investigate the effects of the rectangular labyrinth pool weir with an orifice. The dimensions of the channel and data collection areas in the numerical models are the same as those of the laboratory model. Two types of pool weirs were considered: conventional and labyrinth. The proposed rectangular labyrinth pool weirs have a symmetrical cross section and are sized to fit within the experimental channel. The conventional pool weir model had a pool length of l = 0.685 and 0.342 m, a weir height of w = 0.141 m, a weir width of B = 0.56 m, and a channel slope of S₀ = 5 and 10%. The rectangular labyrinth weirs have the same front width as the offset, i.e., a = b = c = 0.186 m. A square underwater opening with a width of 0.05 m and a depth of 0.05 m was created in the middle of the weir. The weir configuration considered in the present study is shown in Fig. 3.

2.3 Governing Equations

FLOW-3D® software solves the Navier–Stokes–Reynolds equations for three-dimensional analysis of incompressible flows using the fluid-volume method on a gridded domain. FLOW -3D® uses an advanced free surface flow tracking algorithm (TruVOF) developed by Hirt and Nichols [12], where fluid configurations are defined in terms of a VOF function F (x, y, z, t). In this case, F (fluid fraction) represents the volume fraction occupied by the fluid: F = 1 in cells filled with fluid and F = 0 in cells without fluid (empty areas) [4, 13]. The free surface area is at an intermediate value of F. (Typically, F = 0.5, but the user can specify a different intermediate value.) The equations in Cartesian coordinates (x, y, z) applicable to the model are as follows:

�f∂�∂�+∂(��x)∂�+∂(��y)∂�+∂(��z)∂�=�SOR

(1)

∂�∂�+1�f(��x∂�∂�+��y∂�∂�+��z∂�∂�)=−1�∂�∂�+�x+�x

(2)

∂�∂�+1�f(��x∂�∂�+��y∂�∂�+��z∂�∂�)=−1�∂�∂�+�y+�y

(3)

∂�∂�+1�f(��x∂�∂�+��y∂�∂�+��z∂�∂�)=−1�∂�∂�+�z+�z

(4)

where (u, v, w) are the velocity components, (A_x, A_y, A_z) are the flow area components, (G_x, G_y, G_z) are the mass accelerations, and (f_x, f_y, f_z) are the viscous accelerations in the directions (x, y, z), ρ is the fluid density, R_SOR is the spring term, V_f is the volume fraction associated with the flow, and P is the pressure. The k–ε turbulence model (RNG) was used in this study to solve the turbulence of the flow field. This model is a modified version of the standard k–ε model that improves performance. The model is a two-equation model; the first equation (Eq. 5) expresses the turbulence’s energy, called turbulent kinetic energy (k) [14]. The second equation (Eq. 6) is the turbulent dissipation rate (ε), which determines the rate of dissipation of kinetic energy [15]. These equations are expressed as follows Dasineh et al. [4]:

∂(��)∂�+∂(��)∂��=∂∂��[��∂�∂��]+��−�ε

(5)

∂(�ε)∂�+∂(�ε��)∂��=∂∂��[�ε�eff∂ε∂��]+�1εε��k−�2ε�ε2�

(6)

In these equations, k is the turbulent kinetic energy, ε is the turbulent energy consumption rate, G_k is the generation of turbulent kinetic energy by the average velocity gradient, with empirical constants α_ε = α_k = 1.39, C_1ε = 1.42, and C_2ε = 1.68, eff is the effective viscosity, μ_eff = μ + μ_t [15]. Here, μ is the hydrodynamic density coefficient, and μ_t is the turbulent density of the fluid.

2.4 Meshing and the Boundary Conditions in the Model Setup

The numerical area is divided into three mesh blocks in the X-direction. The meshes are divided into different sizes, a containing mesh block for the entire spatial domain and a nested block with refined cells for the domain of interest. Three different sizes were selected for each of the grid blocks. By comparing the accuracy of their results based on the experimental data, the reasonable mesh for the solution domain was finally selected. The convergence index method (GCI) evaluated the mesh sensitivity analysis. Based on this method, many researchers, such as Ahmadi et al. [16] and Ahmadi et al. [15], have studied the independence of numerical results from mesh size. Three different mesh sizes with a refinement ratio (r) of 1.33 were used to perform the convergence index method. The refinement ratio is the ratio between the larger and smaller mesh sizes (r = G_coarse/G_fine). According to the recommendation of Celik et al. [17], the recommended number for the refinement ratio is 1.3, which gives acceptable results. Table 2 shows the characteristics of the three mesh sizes selected for mesh sensitivity analysis.Table 2 Characteristics of the meshes tested in the convergence analysis

Full size table

The results of u₁ = u_max (u₁ = velocity component along the x₁ axis and u_max = maximum velocity of u₁ in a section perpendicular to the invert of the fishway) at Q = 0.035 m³/s, × 1/l = 0.66, and Y₁/b = 0 in the pool of conventional weir No. 4, obtained from the output results of the software, were used to evaluate the accuracy of the calculation range. As shown in Fig. 4, x₁ = the distance from a given weir in the x-direction, Y₁ = the water depth measured in the y-direction, Y₀ = the vertical distance in the Cartesian coordinate system, h = the water column at the crest, b = the distance between the two points of maximum velocity u_max and zero velocity, and l = the pool length.

The apparent index of convergence (p) in the GCI method is calculated as follows:

�=ln⁡(�3−�2)(�2−�1)/ln⁡(�)

(7)

f₁, f₂, and f₃ are the hydraulic parameters obtained from the numerical simulation (f₁ corresponds to the small mesh), and r is the refinement ratio. The following equation defines the convergence index of the fine mesh:

GCIfine=1.25|ε|��−1

(8)

Here, ε = (f₂ − f₁)/f₁ is the relative error, and f₂ and f₃ are the values of hydraulic parameters considered for medium and small grids, respectively. GCI₁₂ and GCI₂₃ dimensionless indices can be calculated as:

GCI12=1.25|�2−�1�1|��−1

(9)

Then, the independence of the network is preserved. The convergence index of the network parameters obtained by Eqs. (7)–(9) for all three network variables is shown in Table 3. Since the GCI values for the smaller grid (GCI₁₂) are lower compared to coarse grid (GCI₂₃), it can be concluded that the independence of the grid is almost achieved. No further change in the grid size of the solution domain is required. The calculated values (GCI₂₃/r^pGCI₁₂) are close to 1, which shows that the numerical results obtained are within the convergence range. As a result, the meshing of the solution domain consisting of a block mesh with a mesh size of 0.012 m and a block mesh within a larger block mesh with a mesh size of 0.009 m was selected as the optimal mesh (Fig. 5).Table 3 GCI calculation

Full size table

The boundary conditions applied to the area are shown in Fig. 6. The boundary condition of specific flow rate (volume flow rate-Q) was used for the inlet of the flow. For the downstream boundary, the flow output (outflow-O) condition did not affect the flow in the solution area. For the Z_max boundary, the specified pressure boundary condition was used along with the fluid fraction = 0 (P). This type of boundary condition considers free surface or atmospheric pressure conditions (Ghaderi et al. [19]). The wall boundary condition is defined for the bottom of the channel, which acts like a virtual wall without friction (W). The boundary between mesh blocks and walls were considered a symmetrical condition (S).

The convergence of the steady-state solutions was controlled during the simulations by monitoring the changes in discharge at the inlet boundary conditions. Figure 7 shows the time series plots of the discharge obtained from the Model A for the three main discharges from the numerical results. The 8 s to reach the flow equilibrium is suitable for the case of the fish ladder with pool and weir. Almost all discharge fluctuations in the models are insignificant in time, and the flow has reached relative stability. The computation time for the simulations was between 6 and 8 h using a personal computer with eight cores of a CPU (Intel Core i7-7700K @ 4.20 GHz and 16 GB RAM).

3 Results

3.1 Verification of Numerical Results

Quantitative outcomes, including free surface and normalized velocity profiles obtained using FLOW-3D software, were reviewed and compared with the results of Ead et al. [6]. The fourth pool was selected to present the results and compare the experiment and simulation. For each quantity, the percentage of mean absolute error (MAPE (%)) and root-mean-square error (RMSE) are calculated. Equations (10) and (11) show the method used to calculate the errors.

MAPE(%)100×1�∑1�|�exp−�num�exp|

(10)

RMSE(−)1�∑1�(�exp−�num)2

(11)

Here, X_exp is the value of the laboratory data, X_num is the numerical data value, and n is the amount of data. As shown in Fig. 8, let x₁ = distance from a given weir in the x-direction and Y₁ = water depth in the y-direction from the bottom. The trend of the surface profiles for each of the numerical results is the same as that of the laboratory results. The surface profiles of the plunging flows drop after the flow enters and then rises to approach the next weir. The RMSE and MAPE error values for Model A are 0.014 m and 3.11%, respectively, indicating acceptable agreement between numerical and laboratory results. Figure 9 shows the velocity vectors and plunging flow from the numerical results, where x and y are horizontal and vertical to the flow direction, respectively. It can be seen that the jet in the fish ladder pool has a relatively high velocity. The two vortices, i.e., the enclosed vortex rotating clockwise behind the weir and the surface vortex rotating counterclockwise above the jet, are observed for the regime of incident flow. The point where the jet meets the fish passage bed is shown in the figure. The normalized velocity profiles upstream and downstream of the impact points are shown in Fig. 10. The figure shows that the numerical results agree well with the experimental data of Ead et al. [6].

3.2 Flow Regime and Discharge-Depth Relationship

Depending on the geometric shape of the fishway, including the distance of the weir, the slope of the bottom, the height of the weir, and the flow conditions, the flow regime in the fishway is divided into three categories: dipping, transitional, and flow regimes [4]. In the plunging flow regime, the flow enters the pool through the weir, impacts the bottom of the fishway, and forms a hydraulic jump causing two eddies [2, 20]. In the streamwise flow regime, the surface of the flow passing over the weir is almost parallel to the bottom of the channel. The transitional regime has intermediate flow characteristics between the submerged and flow regimes. To predict the flow regime created in the fishway, Ead et al. [6] proposed two dimensionless parameters, Q_t* and L/w, where Q_t* is the dimensionless discharge, L is the distance between weirs, and w is the height of the weir:

��∗=��0��

(12)

Q is the total discharge, B is the width of the channel, S₀ is the slope of the bed, and g is the gravity acceleration. Figure 11 shows different ranges for each flow regime based on the slope of the bed and the distance between the pools in this study. The results of Baki et al. [21], Ead et al. [6] and Dizabadi et al. [22] were used for this comparison. The distance between the pools affects the changes in the regime of the fish ladder. So, if you decrease the distance between weirs, the flow regime more likely becomes. This study determined all three flow regimes in a fish ladder. When the corresponding range of Q_t* is less than 0.6, the flow regime can dip at values of L/B = 1.83. If the corresponding range of Q_t* is greater than 0.5, transitional flow may occur at L/B = 1.22. On the other hand, when Q_t* is greater than 1, streamwise flow can occur at values of L/B = 0.61. These observations agree well with the results of Baki et al. [21], Ead et al. [6] and Dizabadi et al. [22].

For plunging flows, another dimensionless discharge (Q+) versus h/w given by Ead et al. [6] was used for further evaluation:

�+=��ℎ�ℎ=23�d�

(13)

where h is the water depth above the weir, and C_d is the discharge coefficient. Figure 12a compares the numerical and experimental results of Ead et al. [6]. In this figure, Rehbock’s empirical equation is used to estimate the discharge coefficient of Ead et al. [6].

�d=0.57+0.075ℎ�

(14)

The numerical results for the conventional weir (Model A) and the rectangular labyrinth weir (Model B) of this study agree well with the laboratory results of Ead et al. [6]. When comparing models A and B, it is also found that a rectangular labyrinth weir has larger Q + values than the conventional weir as the length of the weir crest increases for a given channel width and fixed headwater elevation. In Fig. 12b, Models A and B’s flow depth plot shows the plunging flow regime. The power trend lines drawn through the data are the best-fit lines. The data shown in Fig. 12b are for different bed slopes and weir geometries. For the conventional weir and the rectangular labyrinth weir at submerged flow, Q can be assumed to be proportional to 1.56 and 1.47h, respectively. In the results of Ead et al. [6], Q is proportional to 1.5h. If we assume that the flow through the orifice is Q_o and the total outflow is Q, the change in the ratio of Q_o/Q to total outflow for models A and B can be shown in Fig. 13. For both models, the flow through the orifice decreases as the total flow increases. A logarithmic trend line was also found between the total outflow and the dimensionless ratio Q_o/Q.

3.3 Depth-Averaged Velocity Distributions

To ensure that the target fish species can pass the fish ladder with maximum efficiency, the average velocity in the fish ladder should be low enough [4]. Therefore, the average velocity in depth should be as much as possible below the critical swimming velocities of the target fishes at a constant flow depth in the pool [20]. The contour plot of depth-averaged velocity was used instead of another direction, such as longitudinal velocity because fish are more sensitive to depth-averaged flow velocity than to its direction under different hydraulic conditions. Figure 14 shows the distribution of depth-averaged velocity in the pool for Models A and B in two cases with and without orifice plates. Model A’s velocity within the pool differs slightly in the spanwise direction. However, no significant variation in velocity was observed. The flow is gradually directed to the sides as it passes through the rectangular labyrinth weir. This increases the velocity at the sides of the channel. Therefore, the high-velocity zone is located at the sides. The low velocity is in the downstream apex of the weir. This area may be suitable for swimming target fish. The presence of an opening in the weir increases the flow velocity at the opening and in the pool’s center, especially in Model A. The flow velocity increase caused by the models’ opening varied from 7.7 to 12.48%. Figure 15 illustrates the effect of the inverted slope on the averaged depth velocity distribution in the pool at low and high discharge. At constant discharge, flow velocity increases with increasing bed slope. In general, high flow velocity was found in the weir toe sidewall and the weir and channel sidewalls.

On the other hand, for a constant bed slope, the high-velocity area of the pool increases due to the increase in runoff. For both bed slopes and different discharges, the most appropriate path for fish to travel from upstream to downstream is through the middle of the cross section and along the top of the rectangular labyrinth weirs. The maximum dominant velocities for Model B at S₀ = 5% were 0.83 and 1.01 m/s; at S₀ = 10%, they were 1.12 and 1.61 m/s at low and high flows, respectively. The low mean velocities for the same distance and S₀ = 5 and 10% were 0.17 and 0.26 m/s, respectively.

Figure 16 shows the contour of the averaged depth velocity for various distances from the weir at low and high discharge. The contour plot shows a large variation in velocity within short distances from the weir. At L/B = 0.61, velocities are low upstream and downstream of the top of the weir. The high velocities occur in the side walls of the weir and the channel. At L/B = 1.22, the low-velocity zone displaces the higher velocity in most of the pool. Higher velocities were found only on the sides of the channel. As the discharge increases, the velocity zone in the pool becomes wider. At L/B = 1.83, there is an area of higher velocities only upstream of the crest and on the sides of the weir. At high discharge, the prevailing maximum velocities for L/B = 0.61, 1.22, and 1.83 were 1.46, 1.65, and 1.84 m/s, respectively. As the distance between weirs increases, the range of maximum velocity increases.

On the other hand, the low mean velocity for these distances was 0.27, 0.44, and 0.72 m/s, respectively. Thus, the low-velocity zone decreases with increasing distance between weirs. Figure 17 shows the pattern distribution of streamlines along with the velocity contour at various distances from the weir for Q = 0.05 m³/s. A stream-like flow is generally formed in the pool at a small distance between weirs (L/B = 0.61). The rotation cell under the jet forms clockwise between the two weirs. At the distances between the spillways (L/B = 1.22), the transition regime of the flow is formed. The transition regime occurs when or shortly after the weir is flooded. The rotation cell under the jet is clockwise smaller than the flow regime and larger than the submergence regime. At a distance L/B = 1.83, a plunging flow is formed so that the plunging jet dips into the pool and extends downstream to the center of the pool. The clockwise rotation of the cell is bounded by the dipping jet of the weir and is located between the bottom and the side walls of the weir and the channel.

Figure 18 shows the average depth velocity bar graph for each weir at different bed slopes and with and without orifice plates. As the distance between weirs increases, all models’ average depth velocity increases. As the slope of the bottom increases and an orifice plate is present, the average depth velocity in the pool increases. In addition, the average pool depth velocity increases as the discharge increases. Among the models, Model A’s average depth velocity is higher than Model B’s. The variation in velocity ranged from 8.11 to 12.24% for the models without an orifice plate and from 10.26 to 16.87% for the models with an orifice plate.

3.4 Turbulence Characteristics

The turbulent kinetic energy is one of the important parameters reflecting the turbulent properties of the flow field [23]. When the k value is high, more energy and a longer transit time are required to migrate the target species. The turbulent kinetic energy is defined as follows:

�=12(�x′2+�y′2+�z′2)

(15)

where u_x, u_y, and u_z are fluctuating velocities in the x, y, and z directions, respectively. An illustration of the TKE and the effects of the geometric arrangement of the weir and the presence of an opening in the weir is shown in Fig. 19. For a given bed slope, in Model A, the highest TKE values are uniformly distributed in the weir’s upstream portion in the channel’s cross section. In contrast, for the rectangular labyrinth weir (Model B), the highest TKE values are concentrated on the sides of the pool between the crest of the weir and the channel wall. The highest TKE value in Models A and B is 0.224 and 0.278 J/kg, respectively, at the highest bottom slope (S₀ = 10%). In the downstream portion of the conventional weir and within the crest of the weir and the walls of the rectangular labyrinth, there was a much lower TKE value that provided the best conditions for fish to recover in the pool between the weirs. The average of the lowest TKE for bottom slopes of 5 and 10% in Model A is 0.041 and 0.056 J/kg, and for Model B, is 0.047 and 0.064 J/kg. The presence of an opening in the weirs reduces the area of the highest TKE within the pool. It also increases the resting areas for fish (lower TKE). The highest TKE at the highest bottom slope in Models A and B with an orifice is 0.208 and 0.191 J/kg, respectively.

Figure 20 shows the effect of slope on the longitudinal distribution of TKE in the pools. TKE values significantly increase for a given discharge with an increasing bottom slope. Thus, for a low bed slope (S₀ = 5%), a large pool area has expanded with average values of 0.131 and 0.168 J/kg for low and high discharge, respectively. For a bed slope of S₀ = 10%, the average TKE values are 0.176 and 0.234 J/kg. Furthermore, as the discharge increases, the area with high TKE values within the pool increases. Lower TKE values are observed at the apex of the labyrinth weir, at the corner of the wall downstream of the weir, and between the side walls of the weir and the channel wall for both bottom slopes. The effect of distance between weirs on TKE is shown in Fig. 21. Low TKE values were observed at low discharge and short distances between weirs. Low TKE values are located at the top of the rectangular labyrinth weir and the downstream corner of the weir wall. There is a maximum value of TKE at the large distances between weirs, L/B = 1.83, along the center line of the pool, where the dip jet meets the bottom of the bed. At high discharge, the maximum TKE value for the distance L/B = 0.61, 1.22, and 1.83 was 0.246, 0.322, and 0.417 J/kg, respectively. In addition, the maximum TKE range increases with the distance between weirs.

For TKE size, the average value (TKE_ave) is plotted against q in Fig. 22. For all models, the TKE values increase with increasing q. For example, in models A and B with L/B = 0.61 and a slope of 10%, the TKE value increases by 41.66 and 86.95%, respectively, as q increases from 0.1 to 0.27 m²/s. The TKE values in Model B are higher than Model A for a given discharge, bed slope, and weir distance. The TKE_ave in Model B is higher compared to Model A, ranging from 31.46 to 57.94%. The presence of an orifice in the weir reduces the TKE values in both weirs. The intensity of the reduction is greater in Model B. For example, in Models A and B with L/B = 0.61 and q = 0.1 m²/s, an orifice reduces TKE_ave values by 60.35 and 19.04%, respectively. For each model, increasing the bed slope increases the TKE_ave values in the pool. For example, for Model B with q = 0.18 m²/s, increasing the bed slope from 5 to 10% increases the TKE_ave value by 14.34%. Increasing the distance between weirs increases the TKE_ave values in the pool. For example, in Model B with S₀ = 10% and q = 0.3 m²/s, the TKE_ave in the pool increases by 34.22% if you increase the distance between weirs from L/B = 0.61 to L/B = 0.183.

Cotel et al. [24] suggested that turbulence intensity (TI) is a suitable parameter for studying fish swimming performance. Figure 23 shows the plot of TI and the effects of the geometric arrangement of the weir and the presence of an orifice. In Model A, the highest TI values are found upstream of the weirs and are evenly distributed across the cross section of the channel. The TI values increase as you move upstream to downstream in the pool. For the rectangular labyrinth weir, the highest TI values were concentrated on the sides of the pool, between the top of the weir and the side wall of the channel, and along the top of the weir. Downstream of the conventional weir, within the apex of the weir, and at the corners of the walls of the rectangular labyrinth weir, the percentage of TI was low. At the highest discharge, the average range of TI in Models A and B was 24–45% and 15–62%, respectively. The diversity of TI is greater in the rectangular labyrinth weir than the conventional weir. Fish swimming performance is reduced due to higher turbulence intensity. However, fish species may prefer different disturbance intensities depending on their swimming abilities; for example, Salmo trutta prefers a disturbance intensity of 18–53% [25]. Kupferschmidt and Zhu [26] found a higher range of TI for fishways, such as natural rock weirs, of 40–60%. The presence of an orifice in the weir increases TI values within the pool, especially along the middle portion of the cross section of the fishway. With an orifice in the weir, the average range of TI in Models A and B was 28–59% and 22–73%, respectively.

The effect of bed slope on TI variation is shown in Fig. 24. TI increases in different pool areas as the bed slope increases for a given discharge. For a low bed slope (S₀ = 5%), a large pool area has increased from 38 to 63% and from 56 to 71% for low and high discharge, respectively. For a bed slope of S₀ = 10%, the average values of TI are 45–67% and 61–73% for low and high discharge, respectively. Therefore, as runoff increases, the area with high TI values within the pool increases. A lower TI is observed for both bottom slopes in the corner of the wall, downstream of the crest walls, and between the side walls in the weir and channel. Figure 25 compares weir spacing with the distribution of TI values within the pool. The TI values are low at low flows and short distances between weirs. A maximum value of TI occurs at long spacing and where the plunging stream impinges on the bed and the area around the bed. TI ranges from 36 to 57%, 58–72%, and 47–76% for the highest flow in a wide pool area for L/B = 0.61, 1.22, and 1.83, respectively.

The average value of turbulence intensity (TI_ave) is plotted against q in Fig. 26. The increase in TI values with the increase in q values is seen in all models. For example, the average values of TI for Models A and B at L/B = 0.61 and slope of 10% increased from 23.9 to 33.5% and from 42 to 51.8%, respectively, with the increase in q from 0.1 to 0.27 m²/s. For a given discharge, a given gradient, and a given spacing of weirs, the TI_ave is higher in Model B than Model A. The presence of an orifice in the weirs increases the TI values in both types. For example, in Models A and B with L/B = 0.61 and q = 0.1 m²/s, the presence of an orifice increases TI_ave from 23.9 to 37.1% and from 42 to 48.8%, respectively. For each model, TI_ave in the pool increases with increasing bed slope. For Model B with q = 0.18 m²/s, TI_ave increases from 37.5 to 45.8% when you increase the invert slope from 5 to 10%. Increasing the distance between weirs increases the TI_ave in the pool. In Model B with S₀ = 10% and q = 0.3 m²/s, the TI_ave in the pool increases from 51.8 to 63.7% as the distance between weirs increases from L/B = 0.61 to L/B = 0.183.

3.5 Energy Dissipation

To facilitate the passage of various target species through the pool of fishways, it is necessary to pay attention to the energy dissipation of the flow and to keep the flow velocity in the pool slow. The average volumetric energy dissipation (k) in the pool is calculated using the following basic formula:

�=��0��

(16)

where ρ is the water density, and H is the average water depth of the pool. The change in k versus Q for all models at two bottom slopes, S₀ = 5%, and S₀ = 10%, is shown in Fig. 27. Like the results of Yagci [8] and Kupferschmidt and Zhu [26], at a constant bottom slope, the energy dissipation in the pool increases with increasing discharge. The trend of change in k as a function of Q from the present study at a bottom gradient of S₀ = 5% is also consistent with the results of Kupferschmidt and Zhu [26] for the fishway with rock weir. The only difference between the results is the geometry of the fishway and the combination of boulders instead of a solid wall. Comparison of the models shows that the conventional model has lower energy dissipation than the rectangular labyrinth for a given discharge. Also, increasing the distance between weirs decreases the volumetric energy dissipation for each model with the same bed slope. Increasing the slope of the bottom leads to an increase in volumetric energy dissipation, and an opening in the weir leads to a decrease in volumetric energy dissipation for both models. Therefore, as a guideline for volumetric energy dissipation, if the value within the pool is too high, the increased distance of the weir, the decreased slope of the bed, or the creation of an opening in the weir would decrease the volumetric dissipation rate.

To evaluate the energy dissipation inside the pool, the general method of energy difference in two sections can use:

ε=�1−�2�1

(17)

where ε is the energy dissipation rate, and E₁ and E₂ are the specific energies in Sects. 1 and 2, respectively. The distance between Sects. 1 and 2 is the same. (L is the distance between two upstream and downstream weirs.) Figure 28 shows the changes in ε relative to q (flow per unit width). The rectangular labyrinth weir (Model B) has a higher energy dissipation rate than the conventional weir (Model A) at a constant bottom gradient. For example, at S₀ = 5%, L/B = 0.61, and q = 0.08 m³/s.m, the energy dissipation rate in Model A (conventional weir) was 0.261. In Model B (rectangular labyrinth weir), however, it was 0.338 (22.75% increase). For each model, the energy dissipation rate within the pool increases as the slope of the bottom increases. For Model B with L/B = 1.83 and q = 0.178 m³/s.m, the energy dissipation rate at S₀ = 5% and 10% is 0.305 and 0.358, respectively (14.8% increase). Figure 29 shows an orifice’s effect on the pools’ energy dissipation rate. With an orifice in the weir, both models’ energy dissipation rates decreased. Thus, the reduction in energy dissipation rate varied from 7.32 to 9.48% for Model A and from 8.46 to 10.57 for Model B.

4 Discussion

This study consisted of entirely of numerical analysis. Although this study was limited to two weirs, the hydraulic performance and flow characteristics in a pooled fishway are highlighted by the rectangular labyrinth weir and its comparison with the conventional straight weir. The study compared the numerical simulations with laboratory experiments in terms of surface profiles, velocity vectors, and flow characteristics in a fish ladder pool. The results indicate agreement between the numerical and laboratory data, supporting the reliability of the numerical model in capturing the observed phenomena.

When the configuration of the weir changes to a rectangular labyrinth weir, the flow characteristics, the maximum and minimum area, and even the location of each hydraulic parameter change compared to a conventional weir. In the rectangular labyrinth weir, the flow is gradually directed to the sides as it passes the weir. This increases the velocity at the sides of the channel [21]. Therefore, the high-velocity area is located on the sides. In the downstream apex of the weir, the flow velocity is low, and this area may be suitable for swimming target fish. However, no significant change in velocity was observed at the conventional weir within the fish ladder. This resulted in an average increase in TKE of 32% and an average increase in TI of about 17% compared to conventional weirs.

In addition, there is a slight difference in the flow regime for both weir configurations. In addition, the rectangular labyrinth weir has a higher energy dissipation rate for a given discharge and constant bottom slope than the conventional weir. By reducing the distance between the weirs, this becomes even more intense. Finally, the presence of an orifice in both configurations of the weir increased the flow velocity at the orifice and in the middle of the pool, reducing the highest TKE value and increasing the values of TI within the pool of the fish ladder. This resulted in a reduction in volumetric energy dissipation for both weir configurations.

The results of this study will help the reader understand the direct effects of the governing geometric parameters on the hydraulic characteristics of a fishway with a pool and weir. However, due to the limited configurations of the study, further investigation is needed to evaluate the position of the weir’s crest on the flow direction and the difference in flow characteristics when combining boulders instead of a solid wall for this type of labyrinth weir [26]. In addition, hydraulic engineers and biologists must work together to design an effective fishway with rectangular labyrinth configurations. The migration habits of the target species should be considered when designing the most appropriate design [27]. Parametric studies and field observations are recommended to determine the perfect design criteria.

The current study focused on comparing a rectangular labyrinth weir with a conventional straight weir. Further research can explore other weir configurations, such as variations in crest position, different shapes of labyrinth weirs, or the use of boulders instead of solid walls. This would help understand the influence of different geometric parameters on hydraulic characteristics.

5 Conclusions

A new layout of the weir was evaluated, namely a rectangular labyrinth weir compared to a straight weir in a pool and weir system. The differences between the weirs were highlighted, particularly how variations in the geometry of the structures, such as the shape of the weir, the spacing of the weir, the presence of an opening at the weir, and the slope of the bottom, affect the hydraulics within the structures. The main findings of this study are as follows:

The calculated dimensionless discharge (Q_t*) confirmed three different flow regimes: when the corresponding range of Q_t* is smaller than 0.6, the regime of plunging flow occurs for values of L/B = 1.83. (L: distance of the weir; B: channel width). When the corresponding range of Q_t* is greater than 0.5, transitional flow occurs at L/B = 1.22. On the other hand, if Q_t* is greater than 1, the streaming flow is at values of L/B = 0.61.
For the conventional weir and the rectangular labyrinth weir with the plunging flow, it can be assumed that the discharge (Q) is proportional to 1.56 and 1.47h, respectively (h: water depth above the weir). This information is useful for estimating the discharge based on water depth in practical applications.
In the rectangular labyrinth weir, the high-velocity zone is located on the side walls between the top of the weir and the channel wall. A high-velocity variation within short distances of the weir. Low velocity occurs within the downstream apex of the weir. This area may be suitable for swimming target fish.
As the distance between weirs increased, the zone of maximum velocity increased. However, the zone of low speed decreased. The prevailing maximum velocity for a rectangular labyrinth weir at L/B = 0.61, 1.22, and 1.83 was 1.46, 1.65, and 1.84 m/s, respectively. The low mean velocities for these distances were 0.27, 0.44, and 0.72 m/s, respectively. This finding highlights the importance of weir spacing in determining the flow characteristics within the fishway.
The presence of an orifice in the weir increased the flow velocity at the orifice and in the middle of the pool, especially in a conventional weir. The increase ranged from 7.7 to 12.48%.
For a given bottom slope, in a conventional weir, the highest values of turbulent kinetic energy (TKE) are uniformly distributed in the upstream part of the weir in the cross section of the channel. In contrast, for the rectangular labyrinth weir, the highest TKE values were concentrated on the sides of the pool between the crest of the weir and the channel wall. The highest TKE value for the conventional and the rectangular labyrinth weir was 0.224 and 0.278 J/kg, respectively, at the highest bottom slope (S₀ = 10%).
For a given discharge, bottom slope, and weir spacing, the average values of TI are higher for the rectangular labyrinth weir than for the conventional weir. At the highest discharge, the average range of turbulence intensity (TI) for the conventional and rectangular labyrinth weirs was between 24 and 45% and 15% and 62%, respectively. This reveals that the rectangular labyrinth weir may generate more turbulent flow conditions within the fishway.
For a given discharge and constant bottom slope, the rectangular labyrinth weir has a higher energy dissipation rate than the conventional weir (22.75 and 34.86%).
Increasing the distance between weirs decreased volumetric energy dissipation. However, increasing the gradient increased volumetric energy dissipation. The presence of an opening in the weir resulted in a decrease in volumetric energy dissipation for both model types.

Availability of data and materials

Data is contained within the article.

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Predicting solid-state phase transformations during metal additive manufacturing: A case study on electron-beam powder bed fusion of Inconel-738

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.

Graphical Abstract

Keywords

Additive manufacturing, Simulation, Thermal cycles, γ′ phase, IN738

1. Introduction

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.

Table 1. A list of parameters used in thermal simulation of E-PBF.

Parameter	Value
Spatial resolution	5 µm
Time step	0.5 s
Beam diameter	200 µm
Beam penetration depth	1 µm
Beam power	1200 W
Beam absorption efficiency	0.82
Thermal conductivity	25.37 W/(m⋅K)
Chamber temperature	1000 °C
Specific heat	711.756 J/(kg⋅K)
Density	8110 kg/m³

2.4.2. Thermo-kinetic simulation

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 i^th 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.

Precipitation domain	γ
Nucleation site γ′	Bulk (homogenous)
Nucleation site MC carbide	Bulk (Homogenous)
Precipitates class size	250
Regular solution critical temperature γ′	2500 K[64]
Calculated interfacial energy	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

Tag: Density

수직 수중 펄스 제트에 의한 모래층 정련에 대한 펄스 폭과 진폭의 영향 조사

Highlights

Abstract

Introduction

Section snippets

Model and calculation settings

The effects of the pulse width on submerged jet scouring

conclusions

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References (44)

해저 산사태 쓰나미의 최대 초기 파동 진폭 추정: 3차원 모델링 접근법

Highlights

Abstract

Keywords

1. Introduction and literature review

2. Data and methods

2.1. Physical experiments

2.2. Numerical simulations applying FLOW-3D hydro

2.3. Validation

2.4. The dataset

2.5. Landslide velocity

2.6. Effect of air entrainment

3. Results

3.1. Wave generation and propagation

3.2. Influence of landslide parameters on tsunami amplitude

3.3. Predictive equation

4. Conclusions

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Funding

Acknowledgements

Data availability

References

Abstract

References

Abstract

프로필 오목부가 탁도 퇴적물에 미치는 영향: 전 세계 대륙 경계에 대한 해저 협곡의 통찰력

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Abstract

Introduction

Section snippets

Submarine canyons used in this study

Concavity of longitudinal canyon profiles

Validation of the hypothesis

Conclusion

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References (70)

적층 가공된 니켈 기반 초합금의 가공 최적화를 안내하는 통합 멀티스케일 시뮬레이션

ABSTRACT

Abstract

References

Abstract

Graphical abstract

Keywords

1. Introduction

2. Methods

2.1. Laser-beam irradiation experiments

2.2. CtFD simulation

2.3. MPF simulation

3. Results

3.1. Experimental observation of melt pool

3.2. CtFD simulation

3.3. MPF simulations coupled with CtFD simulation

3.4. Remelting and resolidification simulation

4. Discussion

4.1. Effect of segregation of solute elements on liquation cracking susceptibility

4.2. Applicability of the conventional MPF simulation to microstructure formation under LPBF

5. Conclusions

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Appendix A. Supplementary material

Data availability

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다중물리 메조 규모 시뮬레이션을 통해 레이저 분말층 융합에서 공정 종료의 함몰 형성 메커니즘 공개

ABSTRACT