Tag: Nano

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

ARTICLE SECTIONS

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

ARTICLE SECTIONS

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

ARTICLE SECTIONS

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

ARTICLE SECTIONS

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

Vocabulary

ARTICLE SECTIONS

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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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 of each layer of interest just before final cooling to room temperature, to separate the role of thermal cycles from final cooling on the evolution of γ′. The PSD for the top layer (layer 460) is shown in Fig. 8a (last solidified region with solidification microstructure). The γ′ size ranges from 120 to 230 nm and is similar to the 44 layers below (2.2 mm from the top).

Further down the build, γ′ begins to coarsen after layer 417 (44th layer from top). Fig. 8c shows the PSD after the 44th layer, where the γ′ size exhibits two peaks at ∼120–230 and ∼300 nm, with most of the population being in the former range. This is the onset of partial dissolution where simultaneously with the reprecipitation and growth of fresh γ′, the undissolved γ′ grows rapidly through diffusive transport of atoms to the precipitates. This is shown in Fig. 8c, where the precipitate class sizes between 250 and 350 represent the growth of undissolved γ′. Although this continues in the 416th layer, the phase fractions plot indicates that the onset of partial dissolution begins after the 411th layer. This implies that partial dissolution started early, but the fraction of undissolved γ′ was too low to impact the phase fraction. The reprecipitated γ′ are mostly in the 100–220 nm class range and similar to those observed during full dissolution.

As the number of layers increases, coarsening intensifies with continued growth of more undissolved γ′, and reprecipitation and growth of partially dissolved ones. Fig. 8d, e, and f show this sequence. Further down the build, coarsening progresses rapidly, as shown in Figs. 8d, 8e, and 8f. The γ′ size ranges from 120 to 1100 nm, with the peaks at 160, 180, and 220 nm in Figs. 8d, 8e, and 8f, respectively. Coarsening continues until nucleation ends during dissolution, where only the already formed γ′ precipitates continue to grow during further thermal cycling. The γ′ size at this point is much larger, as observed in layers 361 and 261, and continues to increase steadily towards the bottom (layer 1). Two populations in the ranges of ∼380–700 and ∼750–1100 nm, respectively, can be seen. The steady growth of γ′ towards the bottom is confirmed by the gradual decrease in the concentration of solute elements in the matrix (Fig. 7a). It should be noted that for each layer, the γ′ class with the largest size originates from continuous growth of the earliest set of the undissolved precipitates.

Fig. 9, Fig. 10 and supplementary Figs. S2 and S3 show the γ′ size evolution during heating and cooling of a single layer in the full dissolution region, and early, middle stages, and later stages of partial dissolution, respectively. In all, the size of γ′ reduces during layer heating. Depending on the peak temperature of the layer which varies with build height, γ′ are either fully or partially dissolved as mentioned earlier. Upon cooling, the dissolved γ′ reprecipitate.

In Fig. 9, those layers that underwent complete dissolution (top layers) were held above γ′ solvus temperature for longer. In Fig. 10, layers at the early stage of partial dissolution spend less time in the γ′ solvus temperature region during heating, leading to incomplete dissolution. In such conditions, smaller precipitates are fully dissolved while larger ones shrink [67]. Layers in the middle stages of partial dissolution have peak temperatures just below or at γ′ solvus, not sufficient to achieve significant γ′ dissolution. As seen in supplementary Fig. S2, only a few smaller γ′ are dissolved back into the matrix during heating, i.e., growth of precipitates is more significant than dissolution. This explains the sharp decrease in concentration of Al and Ti in the matrix in this layer.

The previous sections indicate various phenomena such as an increase in phase fraction, further depletion of matrix composition, and new nucleation bursts during cooling. Analysis of the PSD after the final cooling of the build to room temperature allows a direct comparison to post-printing microstructural characterization. Fig. 11 shows the γ′ size distribution of layer 1 (460th layer from the top) after final cooling to room temperature. Precipitation of secondary γ′ is observed, leading to the multimodal size distribution of secondary and primary γ′. The secondary γ′ size falls within the 10–80 nm range. As expected, a further growth of the existing primary γ′ is also observed during cooling.

3.3.2.3. γ′ chemistry after deposition

Fig. 12 shows the concentration of the major elements that form γ′ (Al, Ti, and Ni) in the primary and secondary γ′ at the bottom of the build, as calculated by MatCalc. The secondary γ′ has a higher Al content (13.5–14.5 at% Al), compared to 13 at% Al in the primary γ′. Additionally, within the secondary γ′, the smallest particles (∼10 nm) have higher Al contents than larger ones (∼70 nm). In contrast, for the primary γ′, there is no significant variation in the Al content as a function of their size. The Ni concentration in secondary γ′ (71.1–72 at%) is also higher in comparison to the primary γ′ (70 at%). The smallest secondary γ′ (∼10 nm) have higher Ni contents than larger ones (∼70 nm), whereas there is no substantial change in the Ni content of primary γ′, based on their size. As expected, Ti shows an opposite size-dependent variation. It ranges from ∼ 7.7–8.7 at% Ti in secondary γ′ to ∼9.2 at% in primary γ′. Similarly, within the secondary γ′, the smallest (∼10 nm) have lower Al contents than the larger ones (∼70 nm). No significant variation is observed for Ti content in primary γ′.

4. Discussion

A combined modelling method is utilized to study the microstructural evolution during E-PBF of IN738. The presented results are discussed by examining the precipitation and dissolution mechanism of γ′ during thermal cycling. This is followed by a discussion on the phase fraction and size evolution of γ′ during thermal cycling and after final cooling. A brief discussion on carbide morphology is also made. Finally, a comparison is made between the simulation and experimental results to assess their agreement.

4.1. γ′ morphology as a function of build height

4.1.1. Nucleation of γ′

The fast precipitation kinetics of the γ′ phase enables formation of γ′ upon quenching from higher temperatures (above solvus) during thermal cycling [66]. In Fig. 7b, for a single layer in the full dissolution region, during cooling, the initial increase in nucleation rate signifies the first formation of nuclei. The slight increase in nucleation rate during partial dissolution, despite a decrease in the concentration of γ′ forming elements, may be explained by the nucleation kinetics. During partial dissolution and as the precipitates shrink, it is assumed that the regions at the vicinity of partially dissolved precipitates are enriched in γ′ forming elements [68], [69]. This differs from the full dissolution region, in which case the chemical composition is evenly distributed in the matrix. Several authors have attributed the solute supersaturation of the matrix around primary γ′ to partial dissolution during isothermal ageing [69], [70], [71], [72]. The enhanced supersaturation in the regions close to the precipitates results in a much higher driving force for nucleation, leading to a higher nucleation rate upon cooling. This phenomenon can be closely related to the several nucleation bursts upon continuous cooling of Ni-based superalloys, where second nucleation bursts exhibit higher nucleation rates [38], [68], [73], [74].

At middle stages of partial dissolution, the reduction in the nucleation rate indicates that the existing composition and low supersaturation did not trigger nucleation as the matrix was closer to the equilibrium state. The end of a nucleation burst means that the supersaturation of Al and Ti has reached a low level, incapable of providing sufficient driving force during cooling to or holding at 1000 °C for further nucleation [73]. Earlier studies on Ni-based superalloys have reported the same phenomenon during ageing or continuous cooling from the solvus temperature to RT [38], [73], [74].

4.1.2. Dissolution of γ′ during thermal cycling

γ′ dissolution kinetics during heating are fast when compared to nucleation due to exponential increase in phase transformation and diffusion activities with temperature [65]. As shown in Fig. 9, Fig. 10, and supplementary Figs. S2 and S3, the reduction in γ′ phase fraction and size during heating indicates γ′ dissolution. This is also revealed in Fig. 5 where phase fraction decreases upon heating. The extent of γ′ dissolution mostly depends on the temperature, time spent above γ′ solvus, and precipitate size [75], [76], [77]. Smaller γ′ precipitates are first to be dissolved [67], [77], [78]. This is mainly because more solute elements need to be transported away from large γ′ precipitates than from smaller ones [79]. Also, a high temperature above γ′ solvus temperature leads to a faster dissolution rate [80]. The equilibrium solvus temperature of γ′ in IN738 in our MatCalc simulation (Fig. 6) and as reported by Ojo et al. [47] is 1140 °C and 1130–1180 °C, respectively. This means the peak temperature experienced by previous layers decreases progressively from γ′ supersolvus to subsolvus, near-solvus, and far from solvus as the number of subsequent layers increases. Based on the above, it can be inferred that the degree of dissolution of γ′ contributes to the gradient in precipitate distribution.

Although the peak temperatures during later stages of partial dissolution are much lower than the equilibrium γ′ solvus, γ′ dissolution still occurs but at a significantly lower rate (supplementary Fig. S3). Wahlmann et al. [28] also reported a similar case where they observed the rapid dissolution of γ′ in CMSX-4 during fast heating and cooling cycles at temperatures below the γ′ solvus. They attributed this to the γ′ phase transformation process taking place in conditions far from the equilibrium. While the same reasoning may be valid for our study, we further believe that the greater surface area to volume ratio of the small γ′ precipitates contributed to this. This ratio means a larger area is available for solute atoms to diffuse into the matrix even at temperatures much below the solvus [81].

4.2. γ′ phase fraction and size evolution

4.2.1. During thermal cycling

In the first layer, the steep increase in γ′ phase fraction during heating (Fig. 5), which also represents γ′ precipitation in the powder before melting, has qualitatively been validated in [28]. The maximum phase fraction of 27% during the first few layers of thermal cycling indicates that IN738 theoretically could reach the equilibrium state (∼30%), but the short interlayer time at the build temperature counteracts this. The drop in phase fraction at middle stages of partial dissolution is due to the low number of γ′ nucleation sites [73]. It has been reported that a reduction of γ′ nucleation sites leads to a delay in obtaining the final volume fraction as more time is required for γ′ precipitates to grow and reach equilibrium [82]. This explains why even upon holding for 150 s before subsequent layer deposition, the phase fraction does not increase to those values that were observed in the previous full γ′ dissolution regions. Towards the end of deposition, the increase in phase fraction to the equilibrium value of 30% is as a result of the longer holding at build temperature or close to it [83].

During thermal cycling, γ′ particles begin to grow immediately after they first precipitate upon cooling. This is reflected in the rapid increase in phase fraction and size during cooling in Fig. 5 and supplementary Fig. S2, respectively. The rapid growth is due to the fast diffusion of solute elements at high temperatures [84]. The similar size of γ′ for the first 44 layers from the top can be attributed to the fact that all layers underwent complete dissolution and hence, experienced the same nucleation event and growth during deposition. This corresponds with the findings by Balikci et al. [85], who reported that the degree of γ′ precipitation in IN738LC does not change when a solution heat treatment is conducted above a certain critical temperature.

The increase in coarsening rate (Fig. 8) during thermal cycling can first be ascribed to the high peak temperature of the layers [86]. The coarsening rate of γ′ is known to increase rapidly with temperature due to the exponential growth of diffusion activity. Also, the simultaneous dissolution with coarsening could be another reason for the high coarsening rate, as γ′ coarsening is a diffusion-driven process where large particles grow by consuming smaller ones [78], [84], [86], [87]. The steady growth of γ′ towards the bottom of the build is due to the much lower layer peak temperature, which is almost close to the build temperature, and reduced dissolution activity, as is seen in the much lower solute concentration in γ′ compared to those in the full and partial dissolution regions.

4.2.2. During cooling

The much higher phase fraction of ∼40% upon cooling signifies the tendency of γ′ to reach equilibrium at lower temperatures (Fig. 4). This is due to the precipitation of secondary γ′ and a further increase in the size of existing primary γ′, which leads to a multimodal size distribution of γ′ after cooling [38], [73], [88], [89], [90]. The reason for secondary γ′ formation during cooling is as follows: As cooling progresses, it becomes increasingly challenging to redistribute solute elements in the matrix owing to their lower mobility [38], [73]. A higher supersaturation level in regions away from or free of the existing γ′ precipitates is achieved, making them suitable sites for additional nucleation bursts. More cooling leads to the growth of these secondary γ′ precipitates, but as the temperature and in turn, the solute diffusivity is low, growth remains slow.

4.3. Carbides

MC carbides in IN738 are known to have a significant impact on the high-temperature strength. They can also act as effective hardening particles and improve the creep resistance [91]. Precipitation of MC carbides in IN738 and several other superalloys is known to occur during solidification or thermal treatments (e.g., hot isostatic pressing) [92]. In our case, this means that the MC carbides within the E-PBF build formed because of the thermal exposure from the E-PBF thermal cycle in addition to initial solidification. Our simulation confirms this as MC carbides appear during layer heating (Fig. 5). The constant and stable phase fraction of MC carbides during thermal cycling can be attributed to their high melting point (∼1360 °C) and the short holding time at peak temperatures [75], [93], [94]. The solvus temperature for most MC carbides exceeds most of the peak temperatures observed in our simulation, and carbide dissolution kinetics at temperatures above the solvus are known to be comparably slow [95]. The stable phase fraction and random distribution of MC carbides signifies the slight influence on the gradient in hardness.

4.4. Comparison of simulations and experiments

4.4.1. Precipitate phase fraction and morphology as a function of build height

A qualitative agreement is observed for the phase fraction of carbides, i.e. ∼0.8% in the experiment and ∼0.9% in the simulation. The phase fraction of γ′ differs, with the experiment reporting a value of ∼51% and the simulation, 40%. Despite this, the size distribution of primary γ′ along the build shows remarkable consistency between experimental and computational analyses. It is worth noting that the primary γ′ morphology in the experimental analysis is observed in the as-fabricated state, whereas the simulation (Fig. 8) captures it during deposition process. The primary γ′ size in the experiment is expected to experience additional growth during the cooling phase. Regardless, both show similar trends in primary γ′ size increments from the top to the bottom of the build. The larger primary γ’ size in the simulation versus the experiment can be attributed to the fact that experimental and simulation results are based on 2D and 3D data, respectively. The absence of stereological considerations [96] in our analysis could have led to an underestimation of the precipitate sizes from SEM measurements. The early starts of coarsening (8th layer) in the experiment compared to the simulation (45th layer) can be attributed to a higher actual γ′ solvus temperature than considered in our simulation [47]. The solvus temperature of γ′ in a Ni-based superalloy is mainly determined by the detailed composition. A high amount of Cr and Co are known to reduce the solvus temperature, whereas Ta and Mo will increase it [97], [98], [99]. The elemental composition from our experimental work was used for the simulation except for Ta. It should be noted that Ta is not included in the thermodynamic database in MatCalc used, and this may have reduced the solvus temperature. This could also explain the relatively higher γ′ phase fraction in the experiment than in simulation, as a higher γ′ solvus temperature will cause more γ′ to precipitate and grow early during cooling [99], [100].

Another possible cause of this deviation can be attributed to the extent of γ′ dissolution, which is mainly determined by the peak temperature. It can be speculated that individual peak temperatures at different layers in the simulation may have been over-predicted. However, one needs to consider that the true thermal profile is likely more complicated in the actual E-PBF process [101]. For example, the current model assumes that the thermophysical properties of the material are temperature-independent, which is not realistic. Many materials, including IN738, exhibit temperature-dependent properties such as thermal conductivity, specific heat capacity, and density [102]. This means that heat transfer simulations may underestimate or overestimate the temperature gradients and cooling rates within the powder bed and the solidified part. Additionally, the model does not account for the reduced thermal diffusivity through unmelted powder, where gas separating the powder acts as insulation, impeding the heat flow [1]. In E-PBF, the unmelted powder regions with trapped gas have lower thermal diffusivity compared to the fully melted regions, leading to localized temperature variations, and altered solidification behavior. These limitations can impact the predictions, particularly in relation to the carbide dissolution, as the peak temperatures may be underestimated.

While acknowledging these limitations, it is worth emphasizing that achieving a detailed and accurate representation of each layer’s heat source would impose tough computational challenges. Given the substantial layer count in E-PBF, our decision to employ a semi-analytical approximation strikes a balance between computational feasibility and the capture of essential trends in thermal profiles across diverse build layers. In future work, a dual-calibration strategy is proposed to further reduce simulation-experiment disparities. By refining temperature-independent thermophysical property approximations and absorptivity in the heat source model, and by optimizing interfacial energy descriptions in the kinetic model, the predictive precision could be enhanced. Further refining the simulation controls, such as adjusting the precipitate class size may enhance quantitative comparisons between modeling outcomes and experimental data in future work.

4.4.2. Multimodal size distribution of γ′ and concentration

Another interesting feature that sees qualitative agreement between the simulation and the experiment is the multimodal size distribution of γ′. The formation of secondary γ′ particles in the experiment and most E-PBF Ni-based superalloys is suggested to occur at low temperatures, during final cooling to RT [16], [73], [90]. However, so far, this conclusion has been based on findings from various continuous cooling experiments, as the study of the evolution during AM would require an in-situ approach. Our simulation unambiguously confirms this in an AM context by providing evidence for secondary γ′ precipitation during slow cooling to RT. Additionally, it is possible to speculate that the chemical segregation occurring during solidification, due to the preferential partitioning of certain elements between the solid and liquid phases, can contribute to the multimodal size distribution during deposition [51]. This is because chemical segregation can result in variations in the local composition of superalloys, which subsequently affects the nucleation and growth of γ′. Regions with higher concentrations of alloying elements will encourage the formation of larger γ′ particles, while regions with lower concentrations may favor the nucleation of smaller precipitates. However, it is important to acknowledge that the elevated temperature during the E-PBF process will largely homogenize these compositional differences [103], [104].

A good correlation is also shown in the composition of major γ′ forming elements (Al and Ti) in primary and secondary γ′. Both experiment and simulation show an increasing trend for Al content and a decreasing trend for Ti content from primary to secondary γ′. The slight composition differences between primary and secondary γ′ particles are due to the different diffusivity of γ′ stabilizers at different thermal conditions [105], [106]. As the formation of multimodal γ′ particles with different sizes occurs over a broad temperature range, the phase chemistry of γ′ will be highly size dependent. The changes in the chemistry of various γ′ (primary, secondary, and tertiary) have received significant attention since they have a direct influence on the performance [68], [105], [107], [108], [109]. Chen et al. [108], [109], reported a high Al content in the smallest γ′ precipitates compared to the largest, while Ti showed an opposite trend during continuous cooling in a RR1000 Ni-based superalloy. This was attributed to the temperature and cooling rate at which the γ′ precipitates were formed. The smallest precipitates formed last, at the lowest temperature and cooling rate. A comparable observation is evident in the present investigation, where the secondary γ′ forms at a low temperature and cooling rate in comparison to the primary. The temperature dependence of γ′ chemical composition is further evidenced in supplementary Fig. S4, which shows the equilibrium chemical composition of γ′ as a function of temperature.

5. Conclusions

A correlative modelling approach capable of predicting solid-state phase transformations kinetics in metal AM was developed. This approach involves computational simulations with a semi-analytical heat transfer model and the MatCalc thermo-kinetic software. The method was used to predict the phase transformation kinetics and detailed morphology and chemistry of γ′ and MC during E-PBF of IN738 Ni-based superalloy. The main conclusions are:

1.The computational simulations are in qualitative agreement with the experimental observations. This is particularly true for the γ′ size distribution along the build height, the multimodal size distribution of particles, and the phase fraction of MC carbides.
2.The deviations between simulation and experiment in terms of γ′ phase fraction and location in the build are most likely attributed to a higher γ′ solvus temperature during the experiment than in the simulation, which is argued to be related to the absence of Ta in the MatCalc database.
3.The dissolution and precipitation of γ′ occur fast and under non-equilibrium conditions. The level of γ′ dissolution determines the gradient in γ′ size distribution along the build. After thermal cycling, the final cooling to room temperature has further significant impacts on the final γ′ size, morphology, and distribution.
4.A negligible amount of γ′ forms in the first deposited layer before subsequent layer deposition, and a small amount of γ′ may also form in the powder induced by the 1000 °C elevated build temperature before melting.

Our findings confirm the suitability of MatCalc to predict the microstructural evolution at various positions throughout a build in a Ni-based superalloy during E-PBF. It also showcases the suitability of a tool which was originally developed for traditional thermo-mechanical processing of alloys to the new additive manufacturing context. Our simulation capabilities are likely extendable to other alloy systems that undergo solid-state phase transformations implemented in MatCalc (various steels, Ni-based superalloys, and Al-alloys amongst others) as well as other AM processes such as L-DED and L-PBF which have different thermal cycle characteristics. New tools to predict the microstructural evolution and properties during metal AM are important as they provide new insights into the complexities of AM. This will enable control and design of AM microstructures towards advanced materials properties and performances.

CRediT authorship contribution statement

Primig Sophie: Writing – review & editing, Supervision, Resources, Project administration, Funding acquisition, Conceptualization. Adomako Nana Kwabena: Writing – original draft, Writing – review & editing, Visualization, Software, Investigation, Formal analysis, Conceptualization. Haghdadi Nima: Writing – review & editing, Supervision, Project administration, Methodology, Conceptualization. Dingle James F.L.: Methodology, Conceptualization, Software, Writing – review & editing, Visualization. Kozeschnik Ernst: Writing – review & editing, Software, Methodology. Liao Xiaozhou: Writing – review & editing, Project administration, Funding acquisition. Ringer Simon P: Writing – review & editing, Project administration, Funding acquisition.

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 research was sponsored by the Department of Industry, Innovation, and Science under the auspices of the AUSMURI program – which is a part of the Commonwealth’s Next Generation Technologies Fund. The authors acknowledge the facilities and the scientific and technical assistance at the Electron Microscope Unit (EMU) within the Mark Wainwright Analytical Centre (MWAC) at UNSW Sydney and Microscopy Australia. Nana Adomako is supported by a UNSW Scientia PhD scholarship. Michael Haines’ (UNSW Sydney) contribution to the revised version of the original manuscript is thankfully acknowledged.

Appendix A. Supplementary material

Supplementary material.

Data Availability

Data will be made available on request.

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Figure 2 Modeling the plant with cylindrical tubes at the bottom of the canal.

Optimized Vegetation Density to Dissipate Energy of Flood Flow in Open Canals

열린 운하에서 홍수 흐름의 에너지를 분산시키기 위해 최적화된 식생 밀도

Mahdi Feizbahr,¹Navid Tonekaboni,²Guang-Jun Jiang,^3,4and Hong-Xia Chen^3,4
Academic Editor: Mohammad Yazdi

Abstract

강을 따라 식생은 조도를 증가시키고 평균 유속을 감소시키며, 유동 에너지를 감소시키고 강 횡단면의 유속 프로파일을 변경합니다. 자연의 많은 운하와 강은 홍수 동안 초목으로 덮여 있습니다. 운하의 조도는 식물의 영향을 많이 받기 때문에 홍수시 유동저항에 큰 영향을 미친다. 식물로 인한 흐름에 대한 거칠기 저항은 흐름 조건과 식물에 따라 달라지므로 모델은 유속, 유속 깊이 및 수로를 따라 식생 유형의 영향을 고려하여 유속을 시뮬레이션해야 합니다. 총 48개의 모델을 시뮬레이션하여 근관의 거칠기 효과를 조사했습니다. 결과는 속도를 높임으로써 베드 속도를 감소시키는 식생의 영향이 무시할만하다는 것을 나타냅니다.

Abstract

Vegetation along the river increases the roughness and reduces the average flow velocity, reduces flow energy, and changes the flow velocity profile in the cross section of the river. Many canals and rivers in nature are covered with vegetation during the floods. Canal’s roughness is strongly affected by plants and therefore it has a great effect on flow resistance during flood. Roughness resistance against the flow due to the plants depends on the flow conditions and plant, so the model should simulate the current velocity by considering the effects of velocity, depth of flow, and type of vegetation along the canal. Total of 48 models have been simulated to investigate the effect of roughness in the canal. The results indicated that, by enhancing the velocity, the effect of vegetation in decreasing the bed velocity is negligible, while when the current has lower speed, the effect of vegetation on decreasing the bed velocity is obviously considerable.

1. Introduction

Considering the impact of each variable is a very popular field within the analytical and statistical methods and intelligent systems [1–14]. This can help research for better modeling considering the relation of variables or interaction of them toward reaching a better condition for the objective function in control and engineering [15–27]. Consequently, it is necessary to study the effects of the passive factors on the active domain [28–36]. Because of the effect of vegetation on reducing the discharge capacity of rivers [37], pruning plants was necessary to improve the condition of rivers. One of the important effects of vegetation in river protection is the action of roots, which cause soil consolidation and soil structure improvement and, by enhancing the shear strength of soil, increase the resistance of canal walls against the erosive force of water. The outer limbs of the plant increase the roughness of the canal walls and reduce the flow velocity and deplete the flow energy in vicinity of the walls. Vegetation by reducing the shear stress of the canal bed reduces flood discharge and sedimentation in the intervals between vegetation and increases the stability of the walls [38–41].

One of the main factors influencing the speed, depth, and extent of flood in this method is Manning’s roughness coefficient. On the other hand, soil cover [42], especially vegetation, is one of the most determining factors in Manning’s roughness coefficient. Therefore, it is expected that those seasonal changes in the vegetation of the region will play an important role in the calculated value of Manning’s roughness coefficient and ultimately in predicting the flood wave behavior [43–45]. The roughness caused by plants’ resistance to flood current depends on the flow and plant conditions. Flow conditions include depth and velocity of the plant, and plant conditions include plant type, hardness or flexibility, dimensions, density, and shape of the plant [46]. In general, the issue discussed in this research is the optimization of flood-induced flow in canals by considering the effect of vegetation-induced roughness. Therefore, the effect of plants on the roughness coefficient and canal transmission coefficient and in consequence the flow depth should be evaluated [47, 48].

Current resistance is generally known by its roughness coefficient. The equation that is mainly used in this field is Manning equation. The ratio of shear velocity to average current velocity is another form of current resistance. The reason for using the ratio is that it is dimensionless and has a strong theoretical basis. The reason for using Manning roughness coefficient is its pervasiveness. According to Freeman et al. [49], the Manning roughness coefficient for plants was calculated according to the Kouwen and Unny [50] method for incremental resistance. This method involves increasing the roughness for various surface and plant irregularities. Manning’s roughness coefficient has all the factors affecting the resistance of the canal. Therefore, the appropriate way to more accurately estimate this coefficient is to know the factors affecting this coefficient [51].

To calculate the flow rate, velocity, and depth of flow in canals as well as flood and sediment estimation, it is important to evaluate the flow resistance. To determine the flow resistance in open ducts, Manning, Chézy, and Darcy–Weisbach relations are used [52]. In these relations, there are parameters such as Manning’s roughness coefficient (n), Chézy roughness coefficient (C), and Darcy–Weisbach coefficient (f). All three of these coefficients are a kind of flow resistance coefficient that is widely used in the equations governing flow in rivers [53].

The three relations that express the relationship between the average flow velocity (V) and the resistance and geometric and hydraulic coefficients of the canal are as follows:where n, f, and c are Manning, Darcy–Weisbach, and Chézy coefficients, respectively. V = average flow velocity, R = hydraulic radius, S_f = slope of energy line, which in uniform flow is equal to the slope of the canal bed, = gravitational acceleration, and K_n is a coefficient whose value is equal to 1 in the SI system and 1.486 in the English system. The coefficients of resistance in equations (1) to (3) are related as follows:

Based on the boundary layer theory, the flow resistance for rough substrates is determined from the following general relation:where f = Darcy–Weisbach coefficient of friction, y = flow depth, K_s = bed roughness size, and A = constant coefficient.

On the other hand, the relationship between the Darcy–Weisbach coefficient of friction and the shear velocity of the flow is as follows:

By using equation (6), equation (5) is converted as follows:

Investigation on the effect of vegetation arrangement on shear velocity of flow in laboratory conditions showed that, with increasing the shear Reynolds number (), the numerical value of the ratio also increases; in other words the amount of roughness coefficient increases with a slight difference in the cases without vegetation, checkered arrangement, and cross arrangement, respectively [54].

Roughness in river vegetation is simulated in mathematical models with a variable floor slope flume by different densities and discharges. The vegetation considered submerged in the bed of the flume. Results showed that, with increasing vegetation density, canal roughness and flow shear speed increase and with increasing flow rate and depth, Manning’s roughness coefficient decreases. Factors affecting the roughness caused by vegetation include the effect of plant density and arrangement on flow resistance, the effect of flow velocity on flow resistance, and the effect of depth [45, 55].

One of the works that has been done on the effect of vegetation on the roughness coefficient is Darby [56] study, which investigates a flood wave model that considers all the effects of vegetation on the roughness coefficient. There are currently two methods for estimating vegetation roughness. One method is to add the thrust force effect to Manning’s equation [47, 57, 58] and the other method is to increase the canal bed roughness (Manning-Strickler coefficient) [45, 59–61]. These two methods provide acceptable results in models designed to simulate floodplain flow. Wang et al. [62] simulate the floodplain with submerged vegetation using these two methods and to increase the accuracy of the results, they suggested using the effective height of the plant under running water instead of using the actual height of the plant. Freeman et al. [49] provided equations for determining the coefficient of vegetation roughness under different conditions. Lee et al. [63] proposed a method for calculating the Manning coefficient using the flow velocity ratio at different depths. Much research has been done on the Manning roughness coefficient in rivers, and researchers [49, 63–66] sought to obtain a specific number for n to use in river engineering. However, since the depth and geometric conditions of rivers are completely variable in different places, the values of Manning roughness coefficient have changed subsequently, and it has not been possible to choose a fixed number. In river engineering software, the Manning roughness coefficient is determined only for specific and constant conditions or normal flow. Lee et al. [63] stated that seasonal conditions, density, and type of vegetation should also be considered. Hydraulic roughness and Manning roughness coefficient n of the plant were obtained by estimating the total Manning roughness coefficient from the matching of the measured water surface curve and water surface height. The following equation is used for the flow surface curve:where is the depth of water change, S₀ is the slope of the canal floor, Sf is the slope of the energy line, and Fr is the Froude number which is obtained from the following equation:where D is the characteristic length of the canal. Flood flow velocity is one of the important parameters of flood waves, which is very important in calculating the water level profile and energy consumption. In the cases where there are many limitations for researchers due to the wide range of experimental dimensions and the variety of design parameters, the use of numerical methods that are able to estimate the rest of the unknown results with acceptable accuracy is economically justified.

FLOW-3D software uses Finite Difference Method (FDM) for numerical solution of two-dimensional and three-dimensional flow. This software is dedicated to computational fluid dynamics (CFD) and is provided by Flow Science [67]. The flow is divided into networks with tubular cells. For each cell there are values of dependent variables and all variables are calculated in the center of the cell, except for the velocity, which is calculated at the center of the cell. In this software, two numerical techniques have been used for geometric simulation, FAVOR™ (Fractional-Area-Volume-Obstacle-Representation) and the VOF (Volume-of-Fluid) method. The equations used at this model for this research include the principle of mass survival and the magnitude of motion as follows. The fluid motion equations in three dimensions, including the Navier–Stokes equations with some additional terms, are as follows:where are mass accelerations in the directions x, y, z and are viscosity accelerations in the directions x, y, z and are obtained from the following equations:

Shear stresses in equation (11) are obtained from the following equations:

The standard model is used for high Reynolds currents, but in this model, RNG theory allows the analytical differential formula to be used for the effective viscosity that occurs at low Reynolds numbers. Therefore, the RNG model can be used for low and high Reynolds currents.

Weather changes are high and this affects many factors continuously. The presence of vegetation in any area reduces the velocity of surface flows and prevents soil erosion, so vegetation will have a significant impact on reducing destructive floods. One of the methods of erosion protection in floodplain watersheds is the use of biological methods. The presence of vegetation in watersheds reduces the flow rate during floods and prevents soil erosion. The external organs of plants increase the roughness and decrease the velocity of water flow and thus reduce its shear stress energy. One of the important factors with which the hydraulic resistance of plants is expressed is the roughness coefficient. Measuring the roughness coefficient of plants and investigating their effect on reducing velocity and shear stress of flow is of special importance.

Roughness coefficients in canals are affected by two main factors, namely, flow conditions and vegetation characteristics [68]. So far, much research has been done on the effect of the roughness factor created by vegetation, but the issue of plant density has received less attention. For this purpose, this study was conducted to investigate the effect of vegetation density on flow velocity changes.

In a study conducted using a software model on three density modes in the submerged state effect on flow velocity changes in 48 different modes was investigated (Table 1).

Table 1

The studied models.

The number of cells used in this simulation is equal to 1955888 cells. The boundary conditions were introduced to the model as a constant speed and depth (Figure 1). At the output boundary, due to the presence of supercritical current, no parameter for the current is considered. Absolute roughness for floors and walls was introduced to the model (Figure 1). In this case, the flow was assumed to be nonviscous and air entry into the flow was not considered. After seconds, this model reached a convergence accuracy of .

Figure 1

The simulated model and its boundary conditions.

Due to the fact that it is not possible to model the vegetation in FLOW-3D software, in this research, the vegetation of small soft plants was studied so that Manning’s coefficients can be entered into the canal bed in the form of roughness coefficients obtained from the studies of Chow [69] in similar conditions. In practice, in such modeling, the effect of plant height is eliminated due to the small height of herbaceous plants, and modeling can provide relatively acceptable results in these conditions.

48 models with input velocities proportional to the height of the regular semihexagonal canal were considered to create supercritical conditions. Manning coefficients were applied based on Chow [69] studies in order to control the canal bed. Speed profiles were drawn and discussed.

Any control and simulation system has some inputs that we should determine to test any technology [70–77]. Determination and true implementation of such parameters is one of the key steps of any simulation [23, 78–81] and computing procedure [82–86]. The input current is created by applying the flow rate through the VFR (Volume Flow Rate) option and the output flow is considered Output and for other borders the Symmetry option is considered.

Simulation of the models and checking their action and responses and observing how a process behaves is one of the accepted methods in engineering and science [87, 88]. For verification of FLOW-3D software, the results of computer simulations are compared with laboratory measurements and according to the values of computational error, convergence error, and the time required for convergence, the most appropriate option for real-time simulation is selected (Figures 2 and 3 ).

Figure 2

Modeling the plant with cylindrical tubes at the bottom of the canal.

Figure 3

Velocity profiles in positions 2 and 5.

The canal is 7 meters long, 0.5 meters wide, and 0.8 meters deep. This test was used to validate the application of the software to predict the flow rate parameters. In this experiment, instead of using the plant, cylindrical pipes were used in the bottom of the canal.

The conditions of this modeling are similar to the laboratory conditions and the boundary conditions used in the laboratory were used for numerical modeling. The critical flow enters the simulation model from the upstream boundary, so in the upstream boundary conditions, critical velocity and depth are considered. The flow at the downstream boundary is supercritical, so no parameters are applied to the downstream boundary.

The software well predicts the process of changing the speed profile in the open canal along with the considered obstacles. The error in the calculated speed values can be due to the complexity of the flow and the interaction of the turbulence caused by the roughness of the floor with the turbulence caused by the three-dimensional cycles in the hydraulic jump. As a result, the software is able to predict the speed distribution in open canals.

2. Modeling Results

After analyzing the models, the results were shown in graphs (Figures 4–14 ). The total number of experiments in this study was 48 due to the limitations of modeling.

(a)
(b)
(c)
(d)

Figure 4

Flow velocity profiles for canals with a depth of 1 m and flow velocities of 3–3.3 m/s. Canal with a depth of 1 meter and a flow velocity of (a) 3 meters per second, (b) 3.1 meters per second, (c) 3.2 meters per second, and (d) 3.3 meters per second.

Figure 5

Canal diagram with a depth of 1 meter and a flow rate of 3 meters per second.

Figure 6

Canal diagram with a depth of 1 meter and a flow rate of 3.1 meters per second.

Figure 7

Canal diagram with a depth of 1 meter and a flow rate of 3.2 meters per second.

Figure 8

Canal diagram with a depth of 1 meter and a flow rate of 3.3 meters per second.

(a)
(b)
(c)
(d)

Figure 9

Flow velocity profiles for canals with a depth of 2 m and flow velocities of 4–4.3 m/s. Canal with a depth of 2 meters and a flow rate of (a) 4 meters per second, (b) 4.1 meters per second, (c) 4.2 meters per second, and (d) 4.3 meters per second.

Figure 10

Canal diagram with a depth of 2 meters and a flow rate of 4 meters per second.

Figure 11

Canal diagram with a depth of 2 meters and a flow rate of 4.1 meters per second.

Figure 12

Canal diagram with a depth of 2 meters and a flow rate of 4.2 meters per second.

Figure 13

Canal diagram with a depth of 2 meters and a flow rate of 4.3 meters per second.

(a)
(b)
(c)
(d)

Figure 14

Flow velocity profiles for canals with a depth of 3 m and flow velocities of 5–5.3 m/s. Canal with a depth of 2 meters and a flow rate of (a) 4 meters per second, (b) 4.1 meters per second, (c) 4.2 meters per second, and (d) 4.3 meters per second.

To investigate the effects of roughness with flow velocity, the trend of flow velocity changes at different depths and with supercritical flow to a Froude number proportional to the depth of the section has been obtained.

According to the velocity profiles of Figure 5, it can be seen that, with the increasing of Manning’s coefficient, the canal bed speed decreases.

According to Figures 5 to 8, it can be found that, with increasing the Manning’s coefficient, the canal bed speed decreases. But this deceleration is more noticeable than the deceleration of the models 1 to 12, which can be justified by increasing the speed and of course increasing the Froude number.

According to Figure 10, we see that, with increasing Manning’s coefficient, the canal bed speed decreases.

According to Figure 11, we see that, with increasing Manning’s coefficient, the canal bed speed decreases. But this deceleration is more noticeable than the deceleration of Figures 5–10, which can be justified by increasing the speed and, of course, increasing the Froude number.

With increasing Manning’s coefficient, the canal bed speed decreases (Figure 12). But this deceleration is more noticeable than the deceleration of the higher models (Figures 5–8 and 10, 11), which can be justified by increasing the speed and, of course, increasing the Froude number.

According to Figure 13, with increasing Manning’s coefficient, the canal bed speed decreases. But this deceleration is more noticeable than the deceleration of Figures 5 to 12, which can be justified by increasing the speed and, of course, increasing the Froude number.

According to Figure 15, with increasing Manning’s coefficient, the canal bed speed decreases.

Figure 15

Canal diagram with a depth of 3 meters and a flow rate of 5 meters per second.

According to Figure 16, with increasing Manning’s coefficient, the canal bed speed decreases. But this deceleration is more noticeable than the deceleration of the higher model, which can be justified by increasing the speed and, of course, increasing the Froude number.

Figure 16

Canal diagram with a depth of 3 meters and a flow rate of 5.1 meters per second.

According to Figure 17, it is clear that, with increasing Manning’s coefficient, the canal bed speed decreases. But this deceleration is more noticeable than the deceleration of the higher models, which can be justified by increasing the speed and, of course, increasing the Froude number.

Figure 17

Canal diagram with a depth of 3 meters and a flow rate of 5.2 meters per second.

According to Figure 18, with increasing Manning’s coefficient, the canal bed speed decreases. But this deceleration is more noticeable than the deceleration of the higher models, which can be justified by increasing the speed and, of course, increasing the Froude number.

Figure 18

Canal diagram with a depth of 3 meters and a flow rate of 5.3 meters per second.

(a)
(b)
(c)

Figure 19

Comparison of velocity profiles with the same plant densities (depth 1 m). Comparison of velocity profiles with (a) plant densities of 25%, depth 1 m; (b) plant densities of 50%, depth 1 m; and (c) plant densities of 75%, depth 1 m.

(a)
(b)
(c)

Figure 20

Comparison of velocity profiles with the same plant densities (depth 2 m). Comparison of velocity profiles with (a) plant densities of 25%, depth 2 m; (b) plant densities of 50%, depth 2 m; and (c) plant densities of 75%, depth 2 m.

According to Figure 21, it can be seen that, with increasing speed, the effect of vegetation on reducing the bed flow rate becomes more noticeable and the role of the input current does not have much effect. In general, it can be seen that, by increasing the speed of the input current, the slope of the profiles increases from the bed to the water surface and due to the fact that, in software, the roughness coefficient applies to the channel floor only in the boundary conditions, this can be perfectly justified. Of course, it can be noted that, due to the flexible conditions of the vegetation of the bed, this modeling can show acceptable results for such grasses in the canal floor. In the next directions, we may try application of swarm-based optimization methods for modeling and finding the most effective factors in this research [2, 7, 8, 15, 18, 89–94]. In future, we can also apply the simulation logic and software of this research for other domains such as power engineering [95–99].

(a)
(b)
(c)

Figure 21

Comparison of velocity profiles with the same plant densities (depth 3 m). Comparison of velocity profiles with (a) plant densities of 25%, depth 3 m; (b) plant densities of 50%, depth 3 m; and (c) plant densities of 75%, depth 3 m.

3. Conclusion

The effects of vegetation on the flood canal were investigated by numerical modeling with FLOW-3D software. After analyzing the results, the following conclusions were reached:(i)Increasing the density of vegetation reduces the velocity of the canal floor but has no effect on the velocity of the canal surface.(ii)Increasing the Froude number is directly related to increasing the speed of the canal floor.(iii)In the canal with a depth of one meter, a sudden increase in speed can be observed from the lowest speed and higher speed, which is justified by the sudden increase in Froude number.(iv)As the inlet flow rate increases, the slope of the profiles from the bed to the water surface increases.(v)By reducing the Froude number, the effect of vegetation on reducing the flow bed rate becomes more noticeable. And the input velocity in reducing the velocity of the canal floor does not have much effect.(vi)At a flow rate between 3 and 3.3 meters per second due to the shallow depth of the canal and the higher landing number a more critical area is observed in which the flow bed velocity in this area is between 2.86 and 3.1 m/s.(vii)Due to the critical flow velocity and the slight effect of the roughness of the horseshoe vortex floor, it is not visible and is only partially observed in models 1-2-3 and 21.(viii)As the flow rate increases, the effect of vegetation on the rate of bed reduction decreases.(ix)In conditions where less current intensity is passing, vegetation has a greater effect on reducing current intensity and energy consumption increases.(x)In the case of using the flow rate of 0.8 cubic meters per second, the velocity distribution and flow regime show about 20% more energy consumption than in the case of using the flow rate of 1.3 cubic meters per second.

Nomenclature

n:	Manning’s roughness coefficient
C:	Chézy roughness coefficient
f:	Darcy–Weisbach coefficient
V:	Flow velocity
R:	Hydraulic radius
g:	Gravitational acceleration
y:	Flow depth
Ks:	Bed roughness
A:	Constant coefficient
:	Reynolds number
∂y/∂x:	Depth of water change
S₀:	Slope of the canal floor
Sf:	Slope of energy line
Fr:	Froude number
D:	Characteristic length of the canal
G:	Mass acceleration
:	Shear stresses.

Data Availability

All data are included within the paper.

Conflicts of Interest

The authors declare that they have no conflicts of interest.

Acknowledgments

This work was partially supported by the National Natural Science Foundation of China under Contract no. 71761030 and Natural Science Foundation of Inner Mongolia under Contract no. 2019LH07003.

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Development of macro-defect-free PBF-EB-processed Ti–6Al–4V alloys with superior plasticity using PREP-synthesized powder and machine learning-assisted process optimization

Yunwei Gui^abKenta Aoyagi^bAkihiko Chiba^b
^aDepartment of Materials Processing, Graduate School of Engineering, Tohoku University, 6-6 Aramaki Aza Aoba, Aoba-ku, Sendai, 980-8579, Japan
^bInstitute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577, Japan

Received 14 October 2022, Revised 23 December 2022, Accepted 3 January 2023, Available online 5 January 2023.Show lessAdd to MendeleyShareCite

https://doi.org/10.1016/j.msea.2023.144595 Get rights and content

Abstract

The elimination of internal macro-defects is a key issue in Ti–6Al–4V alloys fabricated via powder bed fusion using electron beams (PBF-EB), wherein internal macro-defects mainly originate from the virgin powder and inappropriate printing parameters. This study compares different types powders by combining support vector machine techniques to determine the most suitable powder for PBF-EB and to predict the processing window for the printing parameters without internal macro-defects. The results show that powders fabricated via plasma rotating electrode process have the best sphericity, flowability, and minimal porosity and are most suitable for printing. Surface roughness criterion was also applied to determine the quality of the even surfaces, and support vector machine was used to construct processing maps capable of predicting a wide range of four-dimensional printing parameters to obtain macro-defect-free samples, offering the possibility of subsequent development of Ti–6Al–4V alloys with excellent properties. The macro-defect-free samples exhibited good elongation, with the best overall mechanical properties being the ultimate tensile strength and elongation of 934.7 MPa and 24.3%, respectively. The elongation of the three macro-defect-free samples was much higher than that previously reported for additively manufactured Ti–6Al–4V alloys. The high elongation of the samples in this work is mainly attributed to the elimination of internal macro-defects.

Introduction

Additive manufacturing (AM) technologies can rapidly manufacture complex or custom parts, reducing process steps and saving manufacturing time [[1], [2], [3], [4]], and are widely used in the aerospace, automotive, and other precision industries [5,6]. Powder bed fusion using an electron beam (PBF-EB) is an additive manufacturing method that uses a high-energy electron beam to melt metal powders layer by layer to produce parts. In contrast to selective laser melting, PBF-EB involves the preparation of samples in a high vacuum environment, which effectively prevents the introduction of impurities such as O and N. It also involves a preheating process for the print substrate and powder, which reduces residual thermal stress on the sample and subsequent heat treatment processes [[2], [3], [4],7]. Due to these features and advantages, PBF-EB technology is a very important AM technology with great potential in metallic materials. Moreover, PBF-EB is the ideal AM technology for the manufacture of complex components made of many alloys, such as titanium alloys, nickel-based superalloys, aluminum alloys and stainless steels [[2], [3], [4],8].

Ti–6Al–4V alloy is one of the prevalent commercial titanium alloys possessing high specific strength, excellent mechanical properties, excellent corrosion resistance, and good biocompatibility [9,10]. It is widely used in applications requiring low density and excellent corrosion resistance, such as the aerospace industry and biomechanical applications [11,12]. The mechanical properties of PBF-EB-processed Ti–6Al–4V alloys are superior to those fabricated by casting or forging, because the rapid cooling rate in PBF-EB results in finer grains [[12], [13], [14], [15], [16], [17], [18]]. However, the PBF-EB-fabricated parts often include internal macro-defects, which compromises their mechanical properties [[19], [20], [21], [22]]. This study focused on the elimination of macro-defects, such as porosity, lack of fusion, incomplete penetration and unmelted powders, which distinguishes them from micro-defects such as vacancies, dislocations, grain boundaries and secondary phases, etc. Large-sized fusion defects cause a severe reduction in mechanical strength. Smaller defects, such as pores and cracks, lead to the initiation of fatigue cracking and rapidly accelerate the cracking process [23]. The issue of internal macro-defects must be addressed to expand the application of the PBF-EB technology. The main studies for controlling internal macro-defects are online monitoring of defects, remelting and hot isostatic pressing (HIP). The literatures [24,25] report the use of infrared imaging or other imaging techniques to identify defects, but the monitoring of smaller sized defects is still not adequate. And in some cases remelting does not reduce the internal macro-defects of the part, but instead causes coarsening of the macrostructure and volatilization of some metal elements [23]. The HIP treatment does not completely eliminate the internal macro-defects, the original defect location may still act as a point of origin of the crack, and the subsequent treatment will consume more time and economic costs [23]. Therefore, optimizing suitable printing parameters to avoid internal macro-defects in printed parts at source is of great industrial value and research significance, and is an urgent issue in PBF-EB related technology.

There are two causes of internal macro-defects in the AM process: gas pores trapped in the virgin powder and the inappropriate printing parameters [7,23]. Gui et al. [26] classify internal macro-defects during PBF-EB process according to their shape, such as spherical defects, elongated shape defects, flat shape defects and other irregular shape defects. Of these, spherical defects mainly originate from raw material powders. Other shape defects mainly originate from lack of fusion or unmelted powders caused by unsuitable printing parameters, etc. The PBF-EB process requires powders with good flowability, and spherical powders are typically chosen as raw materials. The prevalent techniques for the fabrication of pre-alloyed powders are gas atomization (GA), plasma atomization (PA), and the plasma rotating electrode process (PREP) [27,28]. These methods yield powders with different characteristics that affect the subsequent fabrication. The selection of a suitable powder for PBF-EB is particularly important to produce Ti–6Al–4V alloys without internal macro-defects. The need to optimize several printing parameters such as beam current, scan speed, line offset, and focus offset make it difficult to eliminate internal macro-defects that occur during printing [23]. Most of the studies [11,12,22,[29], [30], [31], [32], [33]] on the optimization of AM processes for Ti–6Al–4V alloys have focused on samples with a limited set of parameters (e.g., power–scan speed) and do not allow for the guidance and development of unknown process windows for macro-defect-free samples. In addition, process optimization remains a time-consuming problem, with the traditional ‘trial and error’ method demanding considerable time and economic costs. The development of a simple and efficient method to predict the processing window for alloys without internal macro-defects is a key issue. In recent years, machine learning techniques have increasingly been used in the field of additive manufacturing and materials development [[34], [35], [36], [37]]. Aoyagi et al. [38] recently proposed a novel and efficient method based on a support vector machine (SVM) to optimize the two-dimensional process parameters (current and scan speed) and obtain PBF-EB-processed CoCr alloys without internal macro-defects. The method is one of the potential approaches toward effective optimization of more than two process parameters and makes it possible for the machine learning techniques to accelerate the development of alloys without internal macro-defects.

Herein, we focus on the elimination of internal macro-defects, such as pores, lack of fusion, etc., caused by raw powders and printing parameters. The Ti–6Al–4V powders produced by three different methods were compared, and the powder with the best sphericity, flowability, and minimal porosity was selected as the feedstock for subsequent printing. The relationship between the surface roughness and internal macro-defects in the Ti–6Al–4V components was also investigated. The combination of SVM and surface roughness indices (Sdr) predicted a wider four-dimensional processing window for obtaining Ti–6Al–4V alloys without internal macro-defects. Finally, we investigated the tensile properties of Ti–6Al–4V alloys at room temperature with different printing parameters, as well as the corresponding microstructures and fracture types.

Section snippets

Starting materials

Three types of Ti–6Al–4V alloy powders, produced by GA, PA, and PREP, were compared. The particle size distribution of the powders was determined using a laser particle size analyzer (LS230, Beckman Coulter, USA), and the flowability was measured using a Hall flowmeter (JIS-Z2502, Tsutsui Scientific Instruments Co., Ltd., Japan), according to the ASTM B213 standard. The powder morphology and internal macro-defects were determined using scanning electron microscopy (SEM, JEOL JCM-6000) and X-ray

Comparison of the characteristics of GA, PA, and PREP Ti–6Al–4V powders

The particle size distributions (PSDs) and flowability of the three types of Ti–6Al–4V alloy powders produced by GA, PA, and PREP are shown in Fig. 2. Although the average particle sizes are similar (89.4 μm for GA, 82.5 μm for PA, and 86.1μm for PREP), the particle size range is different for the three types of powder (6.2–174.8 μm for GA, 27.3–139.2 μm for PA, and 39.4–133.9 μm for PREP). The flowability of the GA, PA, and PREP powders was 30.25 ± 0.98, 26.54 ± 0.37, and 25.03 ± 0.22 (s/50

Conclusions

The characteristics of the three types of Ti–6Al–4V alloy powders produced via GA, PA, and PREP were compared. The PREP powder with the best sphericity, flowability, and low porosity was found to be the most favorable powder for subsequent printing of Ti–6Al–4V alloys without internal macro-defects. The quantitative criterion of Sdr <0.015 for even surfaces was also found to be applicable to Ti–6Al–4V alloys. The process maps of Ti–6Al–4V alloys include two regions, high beam current/scan speed

Uncited references

[55]; [56]; [57]; [58]; [59]; [60]; [61]; [62]; [63]; [64]; [65].

CRediT authorship contribution statement

Yunwei Gui: Writing – original draft, Visualization, Validation, Investigation. Kenta Aoyagi: Writing – review & editing, Supervision, Resources, Methodology, Funding acquisition, Conceptualization. Akihiko Chiba: Supervision, Funding acquisition.

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 study was based on the results obtained from project JPNP19007, commissioned by the New Energy and Industrial Technology Development Organization (NEDO). This work was also supported by JSPS KAKENHI (Proposal No. 21K03801) and the Inter-University Cooperative Research Program (Proposal nos. 18G0418, 19G0411, and 20G0418) of the Cooperative Research and Development Center for Advanced Materials, Institute for Materials Research, Tohoku University. It was also supported by the Council for

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FLOW-3D Model Development for the Analysis of the Flow Characteristics of Downstream Hydraulic Structures

하류 유압 구조물의 유동 특성 분석을 위한 FLOW-3D 모델 개발

Beom-Jin Kim ¹, Jae-Hong Hwang ² and Byunghyun Kim ³,*
¹ Advanced Structures and Seismic Safety Research Division, Korea Atomic Energy Research Institute,
Daejeon 34057, Korea
² Korea Water Resources Corporation (K-Water), Daejeon 34350, Korea
³Department of Civil Engineering, Kyungpook National University, Daegu 41566, Korea

Correspondence: bhkimc@knu.ac.kr; Tel.: +82-53-950-7819

Abstract

Hydraulic structures installed in rivers inevitably create a water level difference between upstream and downstream regions. The potential energy due to this difference in water level is converted into kinetic energy, causing high-velocity flow and hydraulic jumps in the river. As a result, problems such as scouring and sloping downstream may occur around the hydraulic structures. In this study, a FLOW-3D model was constructed to perform a numerical analysis of the ChangnyeongHaman weir in the Republic of Korea. The constructed model was verified based on surface velocity measurements from a field gate operation experiment. In the simulation results, the flow discharge differed from the measured value by 9–15 m3/s, from which the accuracy was evaluated to be 82–87%. The flow velocity was evaluated with an accuracy of 92% from a difference of 0.01 to 0.16 m/s. Following this verification, a flow analysis of the hydraulic structures was performed according to boundary conditions and operation conditions for numerous scenarios. Since 2018, the ChangnyeongHaman weir gate has been fully opened due to the implementation of Korea’s eco-environmental policy; therefore, in this study, the actual gate operation history data prior to 2018 was applied and evaluated. The evaluation conditions were a 50% open gate condition and the flow discharge of two cases with a large difference in water level. As a result of the analysis, the actual operating conditions showed that the velocity and the Froude number were lower than the optimal conditions, confirming that the selected design was appropriate. It was also found that in the bed protection section, the average flow velocity was high when the water level difference was large, whereas the bottom velocity was high when the gate opening was large. Ultimately, through the reviewed status survey data in this study, the downstream flow characteristics of hydraulic structures along with adequacy verification techniques, optimal design techniques such as procedures for design, and important considerations were derived. Based on the current results, the constructed FLOW-3D-based model can be applied to creating or updating flow analysis guidelines for future repair and reinforcement measures as well as hydraulic structure design.

하천에 설치되는 수력구조물은 필연적으로 상류와 하류의 수위차를 발생시킨다. 이러한 수위차로 인한 위치에너지는 운동에너지로 변환되어 하천의 고속유동과 수압점프를 일으킨다. 그 결과 수력구조물 주변에서 하류의 세굴, 경사 등의 문제가 발생할 수 있다.

본 연구에서는 대한민국 창녕함안보의 수치해석을 위해 FLOW-3D 모델을 구축하였다. 구축된 모델은 현장 게이트 작동 실험에서 표면 속도 측정을 기반으로 검증되었습니다.

시뮬레이션 결과에서 유량은 측정값과 9~15 m3/s 차이가 나고 정확도는 82~87%로 평가되었다. 유속은 0.01~0.16m/s의 차이에서 92%의 정확도로 평가되었습니다.

검증 후 다양한 시나리오에 대한 경계조건 및 운전조건에 따른 수리구조물의 유동해석을 수행하였다. 2018년부터 창녕함안보 문은 한국의 친환경 정책 시행으로 전면 개방되었습니다.

따라서 본 연구에서는 2018년 이전의 실제 게이트 운영 이력 데이터를 적용하여 평가하였다. 평가조건은 50% open gate 조건과 수위차가 큰 2가지 경우의 유수방류로 하였다. 해석 결과 실제 운전조건은 속도와 Froude수가 최적조건보다 낮아 선정된 설계가 적합함을 확인하였다.

또한 베드보호구간에서는 수위차가 크면 평균유속이 높고, 수문개구가 크면 저저유속이 높은 것으로 나타났다. 최종적으로 본 연구에서 검토한 실태조사 자료를 통해 적정성 검증기법과 함께 수력구조물의 하류 유동특성, 설계절차 등 최적 설계기법 및 중요 고려사항을 도출하였다.

현재의 결과를 바탕으로 구축된 FLOW-3D 기반 모델은 수력구조 설계뿐만 아니라 향후 보수 및 보강 조치를 위한 유동해석 가이드라인 생성 또는 업데이트에 적용할 수 있습니다.

Figure 1. Effect of downstream riverbed erosion according to the type of weir foundation.

Figure 2. Changnyeong-Haman weir depth survey results (June 2015)

Figure 4. Field gate discharge experiment.

Figure 16. Analysis results for Case 7 and Case 8

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Numerical analysis of energy dissipator options using computational fluid dynamics modeling — a case study of Mirani Dam

전산 유체 역학 모델링을 사용한 에너지 소산자 옵션의 수치적 해석 — Mirani 댐의 사례 연구

Arabian Journal of Geosciences volume 15, Article number: 1614 (2022) Cite this article

Abstract

이 연구에서 FLOW 3D 전산 유체 역학(CFD) 소프트웨어를 사용하여 파키스탄 Mirani 댐 방수로에 대한 에너지 소산 옵션으로 미국 매립지(USBR) 유형 II 및 USBR 유형 III 유역의 성능을 추정했습니다. 3D Reynolds 평균 Navier-Stokes 방정식이 해결되었으며, 여기에는 여수로 위의 자유 표면 흐름을 캡처하기 위해 공기 유입, 밀도 평가 및 드리프트-플럭스에 대한 하위 그리드 모델이 포함되었습니다. 본 연구에서는 5가지 모델을 고려하였다. 첫 번째 모델에는 길이가 39.5m인 USBR 유형 II 정수기가 있습니다. 두 번째 모델에는 길이가 44.2m인 USBR 유형 II 정수기가 있습니다. 3번째와 4 ^번째모델에는 길이가 각각 48.8m인 USBR 유형 II 정수조와 39.5m의 USBR 유형 III 정수조가 있습니다. 다섯 번째 모델은 네 번째 모델과 동일하지만 마찰 및 슈트 블록 높이가 0.3m 증가했습니다. 최상의 FLOW 3D 모델 조건을 설정하기 위해 메쉬 민감도 분석을 수행했으며 메쉬 크기 0.9m에서 최소 오차를 산출했습니다. 세 가지 경계 조건 세트가 테스트되었으며 최소 오류를 제공하는 세트가 사용되었습니다. 수치적 검증은 USBR 유형 II( L = 48.8m), USBR 유형 III( L = 35.5m) 및 USBR 유형 III 의 물리적 모델 에너지 소산을 0.3m 블록 단위로 비교하여 수행되었습니다( L= 35.5m). 통계 분석 결과 평균 오차는 2.5%, RMSE(제곱 평균 제곱근 오차) 지수는 3% 미만이었습니다. 수리학적 및 경제성 분석을 바탕으로 4 ^번째 모델이 최적화된 에너지 소산기로 밝혀졌습니다. 흡수된 에너지 백분율 측면에서 물리적 모델과 수치적 모델 간의 최대 차이는 5% 미만인 것으로 나타났습니다.

In this study, the FLOW 3D computational fluid dynamics (CFD) software was used to estimate the performance of the United States Bureau of Reclamation (USBR) type II and USBR type III stilling basins as energy dissipation options for the Mirani Dam spillway, Pakistan. The 3D Reynolds-averaged Navier–Stokes equations were solved, which included sub-grid models for air entrainment, density evaluation, and drift–flux, to capture free-surface flow over the spillway. Five models were considered in this research. The first model has a USBR type II stilling basin with a length of 39.5 m. The second model has a USBR type II stilling basin with a length of 44.2 m. The 3rd and 4^th models have a USBR type II stilling basin with a length of 48.8 m and a 39.5 m USBR type III stilling basin, respectively. The fifth model is identical to the fourth, but the friction and chute block heights have been increased by 0.3 m. To set up the best FLOW 3D model conditions, mesh sensitivity analysis was performed, which yielded a minimum error at a mesh size of 0.9 m. Three sets of boundary conditions were tested and the set that gave the minimum error was employed. Numerical validation was done by comparing the physical model energy dissipation of USBR type II (L = 48.8 m), USBR type III (L =35.5 m), and USBR type III with 0.3-m increments in blocks (L = 35.5 m). The statistical analysis gave an average error of 2.5% and a RMSE (root mean square error) index of less than 3%. Based on hydraulics and economic analysis, the 4^th model was found to be an optimized energy dissipator. The maximum difference between the physical and numerical models in terms of percentage energy absorbed was found to be less than 5%.

Keywords

Numerical modeling
Spillway
Hydraulic jump
Energy dissipation
FLOW 3D

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Minglei Quo ^bQilin Guo ^a bLuis ^IzetEscano ^a bAli Nabaa ^a bKamel Fezzaa ^cLianyi Chen ^a b

Nanoparticle-enabled increase of energy efficiency during laser metal additive manufacturing

레이저 금속 적층 제조 중 나노 입자로 에너지 효율 증가

레이저 금속 적층 제조(AM) 공정의 낮은 에너지 효율은 대규모 산업 생산에서 잠재적인 지속 가능성 문제입니다. 레이저 용융을 위한 에너지 효율의 명시적 조사는 용융 금속의 불투명한 특성으로 인해 매우 어려운 용융 풀 치수 및 증기 내림의 직접적인 특성화를 요구합니다.

여기에서 우리는 현장 고속 고에너지 x-선 이미징에 의해 Al6061의 레이저 분말 베드 융합(LPBF) 동안 증기 강하 및 용융 풀 형성에 대한 TiC 나노 입자의 효과에 대한 직접적인 관찰 및 정량화를 보고합니다. 정량 결과를 바탕으로, 우리는 Al6061의 LPBF 동안 TiC 나노 입자가 있거나 없을 때 레이저 용융 에너지 효율(여기서 재료를 용융하는 데 필요한 에너지 대 레이저 빔에 의해 전달되는 에너지의 비율로 정의)을 계산했습니다.

결과는 TiC 나노 입자를 Al6061에 추가하면 레이저 용융 에너지 효율이 크게 증가한다는 것을 보여줍니다(평균 114% 증가, 312에서 521% 증가). W 레이저 출력, 0.4m /s 스캔 속도). 체계적인 특성 측정, 시뮬레이션 및 x-선 이미징 연구를 통해 우리는 처음으로 세 가지 메커니즘이 함께 작동하여 레이저 용융 에너지 효율을 향상시킨다는 것을 확인할 수 있었습니다.

(1) TiC 나노 입자를 추가하면 흡수율이 증가합니다. (2) TiC 나노입자를 추가하면 열전도율이 감소하고, (3) TiC 나노입자를 추가하면 더 낮은 레이저 출력에서 증기 억제 및 다중 반사를 시작할 수 있습니다(즉, 키홀링에 대한 레이저 출력 임계값을 낮춤).

여기서 보고한 Al6061의 LPBF 동안 레이저 용융 에너지 효율을 증가시키기 위해 TiC 나노입자를 사용하는 방법 및 메커니즘은 보다 에너지 효율적인 레이저 금속 AM을 위한 공급원료 재료의 개발을 안내할 수 있습니다.

The low energy efficiency of the laser metal additive manufacturing (AM) process is a potential sustainability concern for large-scale industrial production. Explicit investigation of the energy efficiency for laser melting requires the direct characterization of melt pool dimension and vapor depression, which is very difficult due to the opaque nature of the molten metal. Here we report the direct observation and quantification of effects of the TiC nanoparticles on the vapor depression and melt pool formation during laser powder bed fusion (LPBF) of Al6061 by in-situ high-speed high-energy x-ray imaging. Based on the quantification results, we calculated the laser melting energy efficiency (defined here as the ratio of the energy needed to melt the material to the energy delivered by the laser beam) with and without TiC nanoparticles during LPBF of Al6061. The results show that adding TiC nanoparticles into Al6061 leads to a significant increase of laser melting energy efficiency (114% increase on average, 521% increase under 312 W laser power, 0.4 m/s scan speed). Systematic property measurement, simulation, and x-ray imaging studies enable us, for the first time, to identify that three mechanisms work together to enhance the laser melting energy efficiency: (1) adding TiC nanoparticles increases the absorptivity; (2) adding TiC nanoparticles decreases the thermal conductivity, and (3) adding TiC nanoparticles enables the initiation of vapor depression and multiple reflection at lower laser power (i.e., lowers the laser power threshold for keyholing). The method and mechanisms of using TiC nanoparticles to increase the laser melting energy efficiency during LPBF of Al6061 we reported here may guide the development of feedstock materials for more energy efficient laser metal AM.

Keywords

Additive manufacturing

laser powder bed fusion

energy efficiency

keyhole

melt pool

x-ray imaging

metal matrix nanocomposites

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Fig. 1. (a) Dimensions of the casting with runners (unit: mm), (b) a melt flow simulation using Flow-3D software together with Reilly's model[44], predicted that a large amount of bifilms (denoted by the black particles) would be contained in the final casting. (c) A solidification simulation using Pro-cast software showed that no shrinkage defect was contained in the final casting.

AZ91 합금 주물 내 연행 결함에 대한 캐리어 가스의 영향

TianLi^abJ.M.T.Davies^aXiangzhenZhu^c
^aUniversity of Birmingham, Birmingham B15 2TT, United Kingdom
^bGrainger and Worrall Ltd, Bridgnorth WV15 5HP, United Kingdom
^cBrunel Centre for Advanced Solidification Technology, Brunel University London, Kingston Ln, London, Uxbridge UB8 3PH, United Kingdom

Abstract

An entrainment defect (also known as a double oxide film defect or bifilm) acts a void containing an entrapped gas when submerged into a light-alloy melt, thus reducing the quality and reproducibility of the final castings. Previous publications, carried out with Al-alloy castings, reported that this trapped gas could be subsequently consumed by the reaction with the surrounding melt, thus reducing the void volume and negative effect of entrainment defects. Compared with Al-alloys, the entrapped gas within Mg-alloy might be more efficiently consumed due to the relatively high reactivity of magnesium. However, research into the entrainment defects within Mg alloys has been significantly limited. In the present work, AZ91 alloy castings were produced under different carrier gas atmospheres (i.e., SF₆/CO₂, SF₆/air). The evolution processes of the entrainment defects contained in AZ91 alloy were suggested according to the microstructure inspections and thermodynamic calculations. The defects formed in the different atmospheres have a similar sandwich-like structure, but their oxide films contained different combinations of compounds. The use of carrier gases, which were associated with different entrained-gas consumption rates, affected the reproducibility of AZ91 castings.

연행 결함(이중 산화막 결함 또는 이중막이라고도 함)은 경합금 용융물에 잠길 때 갇힌 가스를 포함하는 공극으로 작용하여 최종 주물의 품질과 재현성을 저하시킵니다. Al-합금 주물을 사용하여 수행된 이전 간행물에서는 이 갇힌 가스가 주변 용융물과의 반응에 의해 후속적으로 소모되어 공극 부피와 연행 결함의 부정적인 영향을 줄일 수 있다고 보고했습니다. Al-합금에 비해 마그네슘의 상대적으로 높은 반응성으로 인해 Mg-합금 내에 포집된 가스가 더 효율적으로 소모될 수 있습니다. 그러나 Mg 합금 내 연행 결함에 대한 연구는 상당히 제한적이었습니다. 현재 작업에서 AZ91 합금 주물은 다양한 캐리어 가스 분위기(즉, SF6/CO2, SF6/공기)에서 생산되었습니다. AZ91 합금에 포함된 연행 결함의 진화 과정은 미세 조직 검사 및 열역학 계산에 따라 제안되었습니다. 서로 다른 분위기에서 형성된 결함은 유사한 샌드위치 구조를 갖지만 산화막에는 서로 다른 화합물 조합이 포함되어 있습니다. 다른 동반 가스 소비율과 관련된 운반 가스의 사용은 AZ91 주물의 재현성에 영향을 미쳤습니다.

Keywords

Magnesium alloy, Casting, Oxide film, Bifilm, Entrainment defect, Reproducibility

1. Introduction

As the lightest structural metal available on Earth, magnesium became one of the most attractive light metals over the last few decades. The magnesium industry has consequently experienced a rapid development in the last 20 years [1,2], indicating a large growth in demand for Mg alloys all over the world. Nowadays, the use of Mg alloys can be found in the fields of automobiles, aerospace, electronics and etc.[3,4]. It has been predicted that the global consumption of Mg metals will further increase in the future, especially in the automotive industry, as the energy efficiency requirement of both traditional and electric vehicles further push manufactures lightweight their design [3,5,6].

The sustained growth in demand for Mg alloys motivated a wide interest in the improvement of the quality and mechanical properties of Mg-alloy castings. During a Mg-alloy casting process, surface turbulence of the melt can lead to the entrapment of a doubled-over surface film containing a small quantity of the surrounding atmosphere, thus forming an entrainment defect (also known as a double oxide film defect or bifilm) [7], [8], [9], [10]. The random size, quantity, orientation, and placement of entrainment defects are widely accepted to be significant factors linked to the variation of casting properties [7]. In addition, Peng et al. [11] found that entrained oxides films in AZ91 alloy melt acted as filters to Al₈Mn₅ particles, trapping them as they settle. Mackie et al. [12] further suggested that entrained oxide films can act to trawl the intermetallic particles, causing them to cluster and form extremely large defects. The clustering of intermetallic compounds made the entrainment defects more detrimental for the casting properties.

Most of the previous studies regarding entrainment defects were carried out on Al-alloys [7,[13], [14], [15], [16], [17], [18], and a few potential methods have been suggested for diminishing their negative effect on the quality of Al-alloy castings. Nyahumwa et al.,[16] shows that the void volume within entrainment defects could be reduced by a hot isostatic pressing (HIP) process. Campbell [7] suggested the entrained gas within the defects could be consumed due to reaction with the surrounding melt, which was further verified by Raiszedeh and Griffiths [19].The effect of the entrained gas consumption on the mechanical properties of Al-alloy castings has been investigated by [8,9], suggesting that the consumption of the entrained gas promoted the improvement of the casting reproducibility.

Compared with the investigation concerning the defects within Al-alloys, research into the entrainment defects within Mg-alloys has been significantly limited. The existence of entrainment defects has been demonstrated in Mg-alloy castings [20,21], but their behaviour, evolution, as well as entrained gas consumption are still not clear.

In a Mg-alloy casting process, the melt is usually protected by a cover gas to avoid magnesium ignition. The cavities of sand or investment moulds are accordingly required to be flushed with the cover gas prior to the melt pouring [22]. Therefore, the entrained gas within Mg-alloy castings should contain the cover gas used in the casting process, rather than air only, which may complicate the structure and evolution of the corresponding entrainment defects.

SF₆ is a typical cover gas widely used for Mg-alloy casting processes [23], [24], [25]. Although this cover gas has been restricted to use in European Mg-alloy foundries, a commercial report has pointed out that this cover is still popular in global Mg-alloy industry, especially in the countries which dominated the global Mg-alloy production, such as China, Brazil, India, etc. [26]. In addition, a survey in academic publications also showed that this cover gas was widely used in recent Mg-alloy studies [27]. The protective mechanism of SF₆ cover gas (i.e., the reaction between liquid Mg-alloy and SF₆ cover gas) has been investigated by several previous researchers, but the formation process of the surface oxide film is still not clearly understood, and even some published results are conflicting with each other. In early 1970s, Fruehling [28] found that the surface film formed under SF₆ was MgO mainly with traces of fluorides, and suggested that SF₆ was absorbed in the Mg-alloy surface film. Couling [29] further noticed that the absorbed SF₆ reacted with the Mg-alloy melt to form MgF₂. In last 20 years, different structures of the Mg-alloy surface films have been reported, as detailed below.(1)

Single-layered film. Cashion [30,31] used X-ray Photoelectron Spectroscopy (XPS) and Auger Spectroscopy (AES) to identify the surface film as MgO and MgF₂. He also found that composition of the film was constant throughout the thickness and the whole experimental holding time. The film observed by Cashion had a single-layered structure created from a holding time from 10 min to 100 min.(2)

Double-layered film. Aarstad et. al [32] reported a doubled-layered surface oxide film in 2003. They observed several well-distributed MgF₂ particles attached to the preliminary MgO film and grew until they covered 25–50% of the total surface area. The inward diffusion of F through the outer MgO film was the driving force for the evolution process. This double-layered structure was also supported by Xiong’s group [25,33] and Shih et al. [34].(3)

Triple-layered film. The triple-layered film and its evolution process were reported in 2002 by Pettersen [35]. Pettersen found that the initial surface film was a MgO phase and then gradually evolved to the stable MgF₂ phase by the inward diffusion of F. In the final stage, the film has a triple-layered structure with a thin O-rich interlayer between the thick top and bottom MgF₂ layers.(4)

Oxide film consisted of discrete particles. Wang et al [36] stirred the Mg-alloy surface film into the melt under a SF₆ cover gas, and then inspect the entrained surface film after the solidification. They found that the entrained surface films were not continues as the protective surface films reported by other researchers but composed of discrete particles. The young oxide film was composed of MgO nano-sized oxide particles, while the old oxide films consist of coarse particles (about 1 µm in average size) on one side that contained fluorides and nitrides.

The oxide films of a Mg-alloy melt surface or an entrained gas are both formed due to the reaction between liquid Mg-alloy and the cover gas, thus the above-mentioned research regarding the Mg-alloy surface film gives valuable insights into the evolution of entrainment defects. The protective mechanism of SF₆ cover gas (i.e., formation of a Mg-alloy surface film) therefore indicated a potential complicated evolution process of the corresponding entrainment defects.

However, it should be noted that the formation of a surface film on a Mg-alloy melt is in a different situation to the consumption of an entrained gas that is submerged into the melt. For example, a sufficient amount of cover gas was supported during the surface film formation in the studies previously mentioned, which suppressed the depletion of the cover gas. In contrast, the amount of entrained gas within a Mg-alloy melt is finite, and the entrained gas may become fully depleted. Mirak [37] introduced 3.5%SF₆/air bubbles into a pure Mg-alloy melt solidifying in a specially designed permanent mould. It was found that the gas bubbles were entirely consumed, and the corresponding oxide film was a mixture of MgO and MgF₂. However, the nucleation sites (such as the MgF₂ spots observed by Aarstad [32] and Xiong [25,33]) were not observed. Mirak also speculated that the MgF₂ formed prior to MgO in the oxide film based on the composition analysis, which was opposite to the surface film formation process reported in previous literatures (i.e., MgO formed prior to MgF₂). Mirak’s work indicated that the oxide-film formation of an entrained gas may be quite different from that of surface films, but he did not reveal the structure and evolution of the oxide films.

In addition, the use of carrier gas in the cover gases also influenced the reaction between the cover gas and the liquid Mg-alloy. SF₆/air required a higher content of SF₆ than did a SF₆/CO₂ carrier gas [38], to avoid the ignition of molten magnesium, revealing different gas-consumption rates. Liang et.al [39] suggested that carbon was formed in the surface film when CO₂ was used as a carrier gas, which was different from the films formed in SF₆/air. An investigation into Mg combustion [40] reported a detection of Mg₂C₃ in the Mg-alloy sample after burning in CO₂, which not only supported Liang’s results, but also indicated a potential formation of Mg carbides in double oxide film defects.

The work reported here is an investigation into the behaviour and evolution of entrainment defects formed in AZ91 Mg-alloy castings, protected by different cover gases (i.e., SF₆/air and SF₆/CO₂). These carrier gases have different protectability for liquid Mg alloy, which may be therefore associated with different consumption rates and evolution processes of the corresponding entrained gases. The effect of the entrained-gas consumption on the reproducibility of AZ91 castings was also studied.

2. Experiment

2.1. Melting and casting

Three kilograms AZ91 alloy was melted in a mild steel crucible at 700 ± 5 °C. The composition of the AZ91 alloy has been shown in Table 1. Prior to heating, all oxide scale on the ingot surface was removed by machining. The cover gases used were 0.5%SF₆/air or 0.5%SF₆/CO₂ (vol.%) at a flow rate of 6 L/min for different castings. The melt was degassed by argon with a flow rate of 0.3 L/min for 15 min [41,42], and then poured into sand moulds. Prior to pouring, the sand mould cavity was flushed with the cover gas for 20 min [22]. The residual melt (around 1 kg) was solidified in the crucible.

Table 1. Composition (wt.%) of the AZ91 alloy used in this study.

Al	Zn	Mn	Si	Fe	Ni	Mg
9.4	0.61	0.15	0.02	0.005	0.0017	Residual

Fig. 1(a) shows the dimensions of the casting with runners. A top-filling system was deliberately used to generate entrainment defects in the final castings. Green and Campbell [7,43] suggested that a top-filling system caused more entrainment events (i.e., bifilms) during a casting process, compared with a bottom-filling system. A melt flow simulation (Flow-3D software) of this mould, using Reilly’s model [44] regarding the entrainment events, also predicted that a large amount of bifilms would be contained in the final casting (denoted by the black particles in Fig. 1b).

Shrinkage defects also affect the mechanical properties and reproducibility of castings. Since this study focused on the effect of bifilms on the casting quality, the mould has been deliberately designed to avoid generating shrinkage defects. A solidification simulation using ProCAST software showed that no shrinkage defect would be contained in the final casting, as shown in Fig. 1c. The casting soundness has also been confirmed using a real time X-ray prior to the test bar machining.

The sand moulds were made from resin-bonded silica sand, containing 1wt. % PEPSET 5230 resin and 1wt. % PEPSET 5112 catalyst. The sand also contained 2 wt.% Na₂SiF₆ to act as an inhibitor [45]. The pouring temperature was 700 ± 5 °C. After the solidification, a section of the runner bars was sent to the Sci-Lab Analytical Ltd for a H-content analysis (LECO analysis), and all the H-content measurements were carried out on the 5th day after the casting process. Each of the castings was machined into 40 test bars for a tensile strength test, using a Zwick 1484 tensile test machine with a clip extensometer. The fracture surfaces of the broken test bars were examined using Scanning Electron Microscope (SEM, Philips JEOL7000) with an accelerating voltage of 5–15 kV. The fractured test bars, residual Mg-alloy solidified in the crucible, and the casting runners were then sectioned, polished and also inspected using the same SEM. The cross-section of the oxide film found on the test-bar fracture surface was exposed by the Focused Ion Beam milling technique (FIB), using a CFEI Quanta 3D FEG FIB-SEM. The oxide film required to be analysed was coated with a platinum layer. Then, a gallium ion beam, accelerated to 30 kV, milled the material substrate surrounding the platinum coated area to expose the cross section of the oxide film. EDS analysis of the oxide film’s cross section was carried out using the FIB equipment at accelerating voltage of 30 kV.

2.2. Oxidation cell

As previously mentioned, several past researchers investigated the protective film formed on a Mg-alloy melt surface [38,39,[46], [47], [48], [49], [50], [51], [52]. During these experiments, the amount of cover gas used was sufficient, thus suppressing the depletion of fluorides in the cover gas. The experiment described in this section used a sealed oxidation cell, which limited the supply of cover gas, to study the evolution of the oxide films of entrainment defects. The cover gas contained in the oxidation cell was regarded as large-size “entrained bubble”.

As shown in Fig. 2, the main body of the oxidation cell was a closed-end mild steel tube which had an inner length of 400 mm, and an inner diameter of 32 mm. A water-cooled copper tube was wrapped around the upper section of the cell. When the tube was heated, the cooling system created a temperature difference between the upper and lower sections, causing the interior gas to convect within the tube. The temperature was monitored by a type-K thermocouple located at the top of the crucible. Nie et al. [53] suggested that the SF₆ cover gas would react with the steel wall of the holding furnace when they investigated the surface film of a Mg-alloy melt. To avoid this reaction, the interior surface of the steel oxidation cell (shown in Fig. 2) and the upper half section of the thermocouple were coated with boron nitride (the Mg-alloy was not in contact with boron nitride).

Fig. 2. Schematic of the oxidation cell used to study the evolution of the oxide films of the entrainment defects (unit mm).

During the experiment, a block of solid AZ91 alloy was placed in a magnesia crucible located at the bottom of the oxidation cell. The cell was heated to 100 °C in an electric resistance furnace under a gas flow rate of 1 L/min. The cell was held at this temperature for 20 min, to replace the original trapped atmosphere (i.e. air). Then, the oxidation cell was further heated to 700 °C, melting the AZ91 sample. The gas inlet and exit valves were then closed, creating a sealed environment for oxidation under a limited supply of cover gas. The oxidation cell was then held at 700 ± 10 °C for periods of time from 5 min to 30 min in 5-min intervals. At the end of each holding time, the cell was quenched in water. After cooling to room temperature, the oxidised sample was sectioned, polished, and subsequently examined by SEM.

3. Results

3.1. Structure and composition of the entrainment defects formed in SF₆/air

The structure and composition of the entrainment defect formed in the AZ91 castings under a cover gas of 0.5%SF₆/air was observed by SEM and EDS. The results indicate that there exist two types of entrainment defects which are sketched in Fig. 3: (1) Type A defect whose oxide film has a traditional single-layered structure and (2) Type B defect, whose oxide film has two layers. The details of these defects were introduced in the following. Here it should be noticed that, as the entrainment defects are also known as biofilms or double oxide film, the oxide films of Type B defect were referred to as “multi-layered oxide film” or “multi-layered structure” in the present work to avoid a confusing description such as “the double-layered oxide film of a double oxide film defect”.

Fig. 3. Schematic of the different types of entrainment defects found in AZ91 castings. (a) Type A defect with a single-layered oxide film and (b) Type B defect with two-layered oxide film.

Fig. 4(a-b) shows a Type A defect having a compact single-layered oxide film with about 0.4 µm thickness. Oxygen, fluorine, magnesium and aluminium were detected in this film (Fig. 4c). It is speculated that oxide film is the mixture of fluoride and oxide of magnesium and aluminium. The detection of fluorine revealed that an entrained cover gas was contained in the formation of this defect. That is to say that the pores shown in Fig. 4(a) were not shrinkage defects or hydrogen porosity, but entrainment defects. The detection of aluminium was different with Xiong and Wang’s previous study [47,48], which showed that no aluminium was contained in their surface film of an AZ91 melt protected by a SF₆ cover gas. Sulphur could not be clearly recognized in the element map, but there was a S-peak in the corresponding ESD spectrum.

Fig. 4. (a) A Type A entrainment defect formed in SF6/air and having a single-layered oxide film, (b) the oxide film of this defect, (c) SEM-EDS element maps (using Philips JEOL7000) corresponding to the area highlighted in (b).

Fig. 5(a-b) shows a Type B entrainment defect having a multi-layered oxide film. The compact outer layers of the oxide films were enriched with fluorine and oxygen (Fig. 5c), while their relatively porous inner layers were only enriched with oxygen (i.e., poor in fluorine) and partly grew together, thus forming a sandwich-like structure. Therefore, it is speculated that the outer layer is the mixture of fluoride and oxide, while the inner layer is mainly oxide. Sulphur could only be recognized in the EDX spectrum and could not be clearly identified in the element map, which might be due to the small S-content in the cover gas (i.e., 0.5% volume content of SF₆ in the cover gas). In this oxide film, aluminium was contained in the outer layer of this oxide film but could not be clearly detected in the inner layer. Moreover, the distribution of Al seems to be uneven. It can be found that, in the right side of the defect, aluminium exists in the film but its concentration can not be identified to be higher than the matrix. However, there is a small area with much higher aluminium concentration in the left side of the defect. Such an uneven distribution of aluminium was also observed in other defects (shown in the following), and it is the result of the formation of some oxide particles in or under the film.

Fig. 5. (a) A Type B entrainment defect formed in SF6/air and having a multi-layered oxide film, (b) the oxide films of this defect have grown together, (c) SEM-EDS element maps (using Philips JEOL7000) corresponding to the area shown in (b).

Figs. 4 and 5 show cross sectional observations of the entrainment defects formed in the AZ91 alloy sample cast under a cover gas of SF₆/air. It is not sufficient to characterize the entrainment defects only by the figures observed from the two-dimensional section. To have a further understanding, the surface of the entrainment defects (i.e. the oxide film) was further studied by observing the fracture surface of the test bars.

Fig. 6(a) shows fracture surfaces of an AZ91 alloy tensile test bar produced in SF₆/air. Symmetrical dark regions can be seen on both sides of the fracture surfaces. Fig. 6(b) shows boundaries between the dark and bright regions. The bright region consisted of jagged and broken features, while the surface of the dark region was relatively smooth and flat. In addition, the EDS results (Fig. 6c-d and Table 2) show that fluorine, oxygen, sulphur, and nitrogen were only detected in the dark regions, indicating that the dark regions were surface protective films entrained into the melt. Therefore, it could be suggested that the dark regions were an entrainment defect with consideration of their symmetrical nature. Similar defects on fracture surfaces of Al-alloy castings have been previously reported [7]. Nitrides were only found in the oxide films on the test-bar fracture surfaces but never detected in the cross-sectional samples shown in Figs. 4 and 5. An underlying reason is that the nitrides contained in these samples may have hydrolysed during the sample polishing process [54].

Fig. 6. (a) A pair of the fracture surfaces of a AZ91 alloy tensile test bar produced under a cover gas of SF6/air. The dimension of the fracture surface is 5 mm × 6 mm, (b) a section of the boundary between the dark and bright regions shown in (a), (c-d) EDS spectrum of the (c) bright regions and (d) dark regions, (e) schematic of an entrainment defect contained in a test bar.

Table 2. EDS results (wt.%) corresponding to the regions shown in Fig. 6 (cover gas: SF₆/air).

Empty Cell	C	O	Mg	F	Al	Zn	S	N
Dark region in Fig. 6(b)	3.48	1.32	79.13	0.47	13.63	0.57	0.08	0.73
Bright region in Fig. 6(b)	3.58	–	84.48	–	11.25	0.68	–	–

In conjunction with the cross-sectional observation of the defects shown in Figs. 4 and 5, the structure of an entrainment defect contained in a tensile test bar was sketched as shown in Fig. 6(e). The defect contained an entrained gas enclosed by its oxide film, creating a void section inside the test bar. When the tensile force applied on the defect during the fracture process, the crack was initiated at the void section and propagated along the entrainment defect, since cracks would be propagated along the weakest path [55]. Therefore, when the test bar was finally fractured, the oxide films of entrainment defect appeared on both fracture surfaces of the test bar, as shown in Fig. 6(a).

3.2. Structure and composition of the entrainment defects formed in SF₆/CO₂

Similar to the entrainment defect formed in SF₆/air, the defects formed under a cover gas of 0.5%SF₆/CO₂ also had two types of oxide films (i.e., single-layered and multi-layered types). Fig. 7(a) shows an example of the entrainment defects containing a multi-layered oxide film. A magnified observation to the defect (Fig. 7b) shows that the inner layers of the oxide films had grown together, presenting a sandwich-like structure, which was similar to the defects formed in an atmosphere of SF₆/air (Fig. 5b). An EDS spectrum (Fig. 7c) revealed that the joint area (inner layer) of this sandwich-like structure mainly contained magnesium oxides. Peaks of fluorine, sulphur, and aluminium were recognized in this EDS spectrum, but their amount was relatively small. In contrast, the outer layers of the oxide films were compact and composed of a mixture of fluorides and oxides (Fig. 7d-e).

Fig. 7. (a) An example of entrainment defects formed in SF6/CO2 and having a multi-layered oxide film, (b) magnified observation of the defect, showing the inner layer of the oxide films has grown together, (c) EDS spectrum of the point denoted in (b), (d) outer layer of the oxide film, (e) SEM-EDS element maps (using Philips JEOL7000) corresponding to the area shown in (d).

Fig. 8(a) shows an entrainment defect on the fracture surfaces of an AZ91 alloy tensile test bar, which was produced in an atmosphere of 0.5%SF₆/CO₂. The corresponding EDS results (Table 3) showed that oxide film contained fluorides and oxides. Sulphur and nitrogen were not detected. Besides, a magnified observation (Fig. 8b) indicated spots on the oxide film surface. The diameter of the spots ranged from hundreds of nanometres to a few micron meters.

Fig. 8. (a) A pair of the fracture surfaces of a AZ91 alloy tensile test bar, produced in an atmosphere of SF6/CO2. The dimension of the fracture surface is 5 mm × 6 mm, (b) surface appearance of the oxide films on the fracture surfaces, showing spots on the film surface.

To further reveal the structure and composition of the oxide film clearly, the cross-section of the oxide film on a test-bar fracture surface was onsite exposed using the FIB technique (Fig. 9). As shown in Fig. 9a, a continuous oxide film was found between the platinum coating layer and the Mg-Al alloy substrate. Fig. 9 (b-c) shows a magnified observation to oxide films, indicating a multi-layered structure (denoted by the red box in Fig. 9c). The bottom layer was enriched with fluorine and oxygen and should be the mixture of fluoride and oxide, which was similar to the “outer layer” shown in Figs. 5 and 7, while the only-oxygen-enriched top layer was similar to the “inner layer” shown in Figs. 5 and 7.

Fig. 9. (a) A cross-sectional observation of the oxide film on the fracture surface of the AZ91 casting produced in SF6/CO2, exposed by FIB, (b) a magnified observation of area highlighted in (a), and (c) SEM-EDS elements map of the area shown in (b), obtained by CFEI Quanta 3D FEG FIB-SEM.

Except the continuous film, some individual particles were also observed in or below the continuous film, as shown in Fig. 9. An Al-enriched particle was detected in the left side of the oxide film shown in Fig. 9b and might be speculated to be spinel Mg₂AlO₄ because it also contains abundant magnesium and oxygen elements. The existing of such Mg₂AlO₄ particles is responsible for the high concentration of aluminium in small areas of the observed film and the uneven distribution of aluminium, as shown in Fig. 5(c). Here it should be emphasized that, although the other part of the bottom layer of the continuous oxide film contains less aluminium than this Al-enriched particle, the Fig. 9c indicated that the amount of aluminium in this bottom layer was still non-negligible, especially when comparing with the outer layer of the film. Below the right side of the oxide film shown in Fig. 9b, a particle was detected and speculated to be MgO because it is rich in Mg and O. According to Wang’s result [56], lots of discrete MgO particles can be formed on the surface of the Mg melt by the oxidation of Mg melt and Mg vapor. The MgO particles observed in our present work may be formed due to the same reasons. While, due to the differences in experimental conditions, less Mg melt can be vapored or react with O₂, thus only a few of MgO particles formed in our work. An enrichment of carbon was also found in the film, revealing that CO₂ was able to react with the melt, thus forming carbon or carbides. This carbon concentration was consistent with the relatively high carbon content of the oxide film shown in Table 3 (i.e., the dark region). In the area next to the oxide film.

Table 3. EDS results (wt.%) corresponding to the regions shown in Fig. 8 (cover gas: SF₆/ CO₂).

Empty Cell	C	O	Mg	F	Al	Zn	S	N
Dark region in Fig. 8(a)	7.25	3.64	69.82	3.82	7.03	0.86	–	–
Bright region in Fig. 8(a)	2.10	0.44	82.83	–	13.26	1.36	–	–

This cross-sectional observation of the oxide film on a test bar fracture surface (Fig. 9) further verified the schematic of the entrainment defect shown in Fig. 6(e). The entrainment defects formed in different atmospheres of SF₆/CO₂ and SF₆/air had similar structures, but their compositions were different.

3.3. Evolution of the oxide films in the oxidation cell

The results in Section 3.1 and 3.2 have shown the structures and compositions of entrainment defects formed in AZ91 castings under cover gases of SF₆/air and SF₆/CO₂. Different stages of the oxidation reaction may lead to the different structures and compositions of entrainment defects. Although Campbell has conjectured that an entrained gas may react with the surrounding melt, it is rarely reported that the reaction occurring between the Mg-alloy melt and entrapped cover gas. Previous researchers normally focus on the reaction between a Mg-alloy melt and the cover gas in an open environment [38,39,[46], [47], [48], [49], [50], [51], [52], which was different from the situation of a cover gas trapped into the melt. To further understand the formation of the entrainment defect in an AZ91 alloy, the evolution process of oxide films of the entrainment defect was further studied using an oxidation cell.

Fig. 10 (a and d) shows a surface film held for 5 min in the oxidation cell, protected by 0.5%SF₆/air. There was only one single layer consisting of fluoride and oxide (MgF₂ and MgO). In this surface film. Sulphur was detected in the EDS spectrum, but its amount was too small to be recognized in the element map. The structure and composition of this oxide film was similar to the single-layered films of entrainment defects shown in Fig. 4.

Fig. 10. Oxide films formed in the oxidation cell under a cover gas of 0.5%SF6/air and held at 700 °C for (a) 5 min; (b) 10 min; (c) 30 min, and (d-f) the SEM-EDS element maps (using Philips JEOL7000) corresponding to the oxide film shown in (a-c) respectively, (d) 5 min; (e) 10 min; (f) 30 min. The red points in (c and f) are the location references, denoting the boundary of the F-enriched layer in different element maps.

After a holding time of 10 min, a thin (O, S)-enriched top layer (around 700 nm) appeared upon the preliminary F-enriched film, forming a multi-layered structure, as shown in Fig. 10(b and e). The thickness of the (O, S)-enriched top layer increased with increased holding time. As shown in Fig. 10(c and f), the oxide film held for 30 min also had a multi-layered structure, but the thickness of its (O, S)-enriched top layer (around 2.5 µm) was higher than the that of the 10-min oxide film. The multi-layered oxide films shown in Fig. 10(b-c) presented a similar appearance to the films of the sandwich-like defect shown in Fig. 5.

The different structures of the oxide films shown in Fig. 10 indicated that fluorides in the cover gas would be preferentially consumed due to the reaction with the AZ91 alloy melt. After the depletion of fluorides, the residual cover gas reacted further with the liquid AZ91 alloy, forming the top (O, S)-enriched layer in the oxide film. Therefore, the different structures and compositions of entrainment defects shown in Figs. 4 and 5 may be due to an ongoing oxidation reaction between melt and entrapped cover gas.

This multi-layered structure has not been reported in previous publications concerning the protective surface film formed on a Mg-alloy melt [38,[46], [47], [48], [49], [50], [51]. This may be due to the fact that previous researchers carried out their experiments with an un-limited amount of cover gas, creating a situation where the fluorides in the cover gas were not able to become depleted. Therefore, the oxide film of an entrainment defect had behaviour traits similar to the oxide films shown in Fig. 10, but different from the oxide films formed on the Mg-alloy melt surface reported in [38,[46], [47], [48], [49], [50], [51].

Similar with the oxide films held in SF₆/air, the oxide films formed in SF₆/CO₂ also had different structures with different holding times in the oxidation cell. Fig. 11(a) shows an oxide film, held on an AZ91 melt surface under a cover gas of 0.5%SF₆/CO₂ for 5 min. This film had a single-layered structure consisting of MgF₂. The existence of MgO could not be confirmed in this film. After the holding time of 30 min, the film had a multi-layered structure; the inner layer was of a compact and uniform appearance and composed of MgF₂, while the outer layer is the mixture of MgF₂ and MgO. Sulphur was not detected in this film, which was different from the surface film formed in 0.5%SF₆/air. Therefore, fluorides in the cover gas of 0.5%SF₆/CO₂ were also preferentially consumed at an early stage of the film growth process. Compared with the film formed in SF₆/air, the MgO in film formed in SF₆/CO₂ appeared later and sulphide did not appear within 30 min. It may mean that the formation and evolution of film in SF₆/air is faster than SF₆/CO_2. CO₂ may have subsequently reacted with the melt to form MgO, while sulphur-containing compounds accumulated in the cover gas and reacted to form sulphide in very late stage (may after 30 min in oxidation cell).

Fig. 11. Oxide films formed in the oxidation cell under a cover gas of 0.5%SF6/CO2, and their SEM-EDS element maps (using Philips JEOL7000). They were held at 700 °C for (a) 5 min; (b) 30 min. The red points in (b) are the location references, denoting the boundary between the top and bottom layers in the oxide film.

4. Discussion

4.1. Evolution of entrainment defects formed in SF₆/air

HSC software from Outokumpu HSC Chemistry for Windows (http://www.hsc-chemistry.net/) was used to carry out thermodynamic calculations needed to explore the reactions which might occur between the trapped gases and liquid AZ91 alloy. The solutions to the calculations suggest which products are most likely to form in the reaction process between a small amount of cover gas (i.e., the amount within a trapped bubble) and the AZ91-alloy melt.

In the trials, the pressure was set to 1 atm, and the temperature set to 700 °C. The amount of the cover gas was assumed to be 7 × 10⁻⁷ kg, with a volume of approximately 0.57 cm³ (3.14 × 10⁻⁸ kmol) for 0.5%SF₆/air, and 0.35 cm³ (3.12 × 10⁻⁸ kmol) for 0.5%SF₆/CO₂. The amount of the AZ91 alloy melt in contact with the trapped gas was assumed to be sufficient to complete all reactions. The decomposition products of SF₆ were SF₅, SF₄, SF₃, SF₂, F₂, S(g), S₂(g) and F(g) [57], [58], [59], [60].

Fig. 12 shows the equilibrium diagram of the thermodynamic calculation of the reaction between the AZ91 alloy and 0.5%SF₆/air. In the diagram, the reactants and products with less than 10⁻¹⁵ kmol have not been shown, as this was 5 orders of magnitude less than the amount of SF₆ present (≈ 1.57 × 10⁻¹⁰ kmol) and therefore would not affect the observed process in a practical way.

Fig. 12. An equilibrium diagram for the reaction between 7e-7 kg 0.5%SF6/air and a sufficient amount of AZ91 alloy. The X axis is the amount of AZ91 alloy melt having reacted with the entrained gas, and the vertical Y-axis is the amount of the reactants and products.

This reaction process could be divided into 3 stages.

Stage 1: The formation of fluorides. the AZ91 melt preferentially reacted with SF₆ and its decomposition products, producing MgF₂, AlF₃, and ZnF₂. However, the amount of ZnF₂ may have been too small to be detected practically (1.25 × 10⁻¹² kmol of ZnF₂ compared with 3 × 10⁻¹⁰ kmol of MgF₂), which may be the reason why Zn was not detected in any the oxide films shown in Sections 3.1–3.3. Meanwhile, sulphur accumulated in the residual gas as SO₂.

Stage 2: The formation of oxides. After the liquid AZ91 alloy had depleted all the available fluorides in the entrapped gas, the amount of AlF₃ and ZnF₂ quickly reduced due to a reaction with Mg. O₂(g) and SO₂ reacted with the AZ91 melt, forming MgO, Al₂O₃, MgAl₂O₄, ZnO, ZnSO₄ and MgSO₄. However, the amount of ZnO and ZnSO₄ would have been too small to be found practically by EDS (e.g. 9.5 × 10⁻¹² kmol of ZnO,1.38 × 10⁻¹⁴ kmol of ZnSO₄, in contrast to 4.68 × 10⁻¹⁰ kmol of MgF₂, when the amount of AZ91 on the X-axis is 2.5 × 10⁻⁹ kmol). In the experimental cases, the concentration of F in the cover gas is very low, whole the concentration f O is much higher. Therefore, the stage 1 and 2, i.e, the formation of fluoride and oxide may happen simultaneously at the beginning of the reaction, resulting in the formation of a singer-layered mixture of fluoride and oxide, as shown in Figs. 4 and 10(a). While an inner layer consisted of oxides but fluorides could form after the complete depletion of F element in the cover gas.

Stages 1- 2 theoretically verified the formation process of the multi-layered structure shown in Fig. 10.

The amount of MgAl₂O₄ and Al₂O₃ in the oxide film was of a sufficient amount to be detected, which was consistent with the oxide films shown in Fig. 4. However, the existence of aluminium could not be recognized in the oxide films grown in the oxidation cell, as shown in Fig. 10. This absence of Al may be due to the following reactions between the surface film and AZ91 alloy melt:(1)

Al₂O₃ + 3Mg + = 3MgO + 2Al, △G(700 °C) = -119.82 kJ/mol(2)

Mg + MgAl₂O₄ = MgO + Al, △G(700 °C) =-106.34 kJ/molwhich could not be simulated by the HSC software since the thermodynamic calculation was carried out under an assumption that the reactants were in full contact with each other. However, in a practical process, the AZ91 melt and the cover gas would not be able to be in contact with each other completely, due to the existence of the protective surface film.

Stage 3: The formation of Sulphide and nitride. After a holding time of 30 min, the gas-phase fluorides and oxides in the oxidation cell had become depleted, allowing the melt reaction with the residual gas, forming an additional sulphur-enriched layer upon the initial F-enriched or (F, O)-enriched surface film, thus resulting in the observed multi-layered structure shown in Fig. 10 (b and c). Besides, nitrogen reacted with the AZ91 melt until all reactions were completed. The oxide film shown in Fig. 6 may correspond to this reaction stage due to its nitride content. However, the results shows that the nitrides were not detected in the polished samples shown in Figs. 4 and 5, but only found on the test bar fracture surfaces. The nitrides may have hydrolysed during the sample preparation process, as follows [54]:(3)

Mg₃N₂ + 6H₂O =3Mg(OH)₂ + 2NH₃↑(4)

AlN+ 3H₂O =Al(OH)₃ + NH₃↑

In addition, Schmidt et al. [61] found that Mg₃N₂ and AlN could react to form ternary nitrides (Mg₃Al_nN_n+2, n= 1, 2, 3…). HSC software did not contain the database of ternary nitrides, and it could not be added into the calculation. The oxide films in this stage may also contain ternary nitrides.

4.2. Evolution of entrainment defects formed in SF₆/CO₂

Fig. 13 shows the results of the thermodynamic calculation between AZ91 alloy and 0.5%SF₆/CO₂. This reaction processes can also be divided into three stages.

Fig. 13. An equilibrium diagram for the reaction between 7e-7 kg 0.5%SF6/CO2 and a sufficient amount of AZ91 alloy. The X axis denotes the amount of Mg alloy melt having reacted with the entrained gas, and the vertical Y-axis denotes the amounts of the reactants and products.

Stage 1: The formation of fluorides. SF₆ and its decomposition products were consumed by the AZ91 melt, forming MgF₂, AlF₃, and ZnF₂. As in the reaction of AZ91 in 0.5%SF₆/air, the amount of ZnF₂ was too small to be detected practically (1.51 × 10⁻¹³ kmol of ZnF₂ compared with 2.67 × 10⁻¹⁰ kmol of MgF₂). Sulphur accumulated in the residual trapped gas as S₂(g) and a portion of the S₂(g) reacted with CO₂, to form SO₂ and CO. The products in this reaction stage were consistent with the film shown in Fig. 11(a), which had a single layer structure that contained fluorides only.

Stage 2: The formation of oxides. AlF₃ and ZnF₂ reacted with the Mg in the AZ91 melt, forming MgF₂, Al and Zn. The SO₂ began to be consumed, producing oxides in the surface film and S₂(g) in the cover gas. Meanwhile, the CO₂ directly reacted with the AZ91 melt, forming CO, MgO, ZnO, and Al₂O₃. The oxide films shown in Figs. 9 and 11(b) may correspond to this reaction stage due to their oxygen-enriched layer and multi-layered structure.

The CO in the cover gas could further react with the AZ91 melt, producing C. This carbon may further react with Mg to form Mg carbides, when the temperature reduced (during solidification period) [62]. This may be the reason for the high carbon content in the oxide film shown in Figs. 8–9. Liang et al. [39] also reported carbon-detection in an AZ91 alloy surface film protected by SO₂/CO₂. The produced Al₂O₃ may be further combined with MgO, forming MgAl₂O₄ [63]. As discussed in Section 4.1, the alumina and spinel can react with Mg, causing an absence of aluminium in the surface films, as shown in Fig. 11.

Stage 3: The formation of Sulphide. the AZ91 melt began to consume S₂(g) in the residual entrapped gas, forming ZnS and MgS. These reactions did not occur until the last stage of the reaction process, which could be the reason why the S-content in the defect shown Fig. 7(c) was small.

In summary, thermodynamic calculations indicate that the AZ91 melt will react with the cover gas to form fluorides firstly, then oxides and sulphides in the last. The oxide film in the different reaction stages would have different structures and compositions.

4.3. Effect of the carrier gases on consumption of the entrained gas and the reproducibility of AZ91 castings

The evolution processes of entrainment defects, formed in SF₆/air and SF₆/CO₂, have been suggested in Sections 4.1 and 4.2. The theoretical calculations were verified with respect to the corresponding oxide films found in practical samples. The atmosphere within an entrainment defect could be efficiently consumed due to the reaction with liquid Mg-alloy, in a scenario dissimilar to the Al-alloy system (i.e., nitrogen in an entrained air bubble would not efficiently react with Al-alloy melt [64,65], however, nitrogen would be more readily consumed in liquid Mg alloys, commonly referred to as “nitrogen burning” [66]).

The reaction between the entrained gas and the surrounding liquid Mg-alloy converted the entrained gas into solid compounds (e.g. MgO) within the oxide film, thus reducing the void volume of the entrainment defect and hence probably causing a collapse of the defect (e.g., if an entrained gas of air was depleted by the surrounding liquid Mg-alloy, under an assumption that the melt temperature is 700 °C and the depth of liquid Mg-alloy is 10 cm, the total volume of the final solid products would be 0.044% of the initial volume taken by the entrapped air).

The relationship between the void volume reduction of entrainment defects and the corresponding casting properties has been widely studied in Al-alloy castings. Nyahumwa and Campbell [16] reported that the Hot Isostatic Pressing (HIP) process caused the entrainment defects in Al-alloy castings to collapse and their oxide surfaces forced into contact. The fatigue lives of their castings were improved after HIP. Nyahumwa and Campbell [16] also suggested a potential bonding of the double oxide films that were in contact with each other, but there was no direct evidence to support this. This binding phenomenon was further investigated by Aryafar et.al.[8], who re-melted two Al-alloy bars with oxide skins in a steel tube and then carried out a tensile strength test on the solidified sample. They found that the oxide skins of the Al-alloy bars strongly bonded with each other and became even stronger with an extension of the melt holding time, indicating a potential “healing” phenomenon due to the consumption of the entrained gas within the double oxide film structure. In addition, Raidszadeh and Griffiths [9,19] successfully reduced the negative effect of entrainment defects on the reproducibility of Al-alloy castings, by extending the melt holding time before solidification, which allowed the entrained gas to have a longer time to react with the surrounding melt.

With consideration of the previous work mentioned, the consumption of the entrained gas in Mg-alloy castings may diminish the negative effect of entrainment defects in the following two ways.

(1) Bonding phenomenon of the double oxide films. The sandwich-like structure shown in Fig. 5 and 7 indicated a potential bonding of the double oxide film structure. However, more evidence is required to quantify the increase in strength due to the bonding of the oxide films.

(2) Void volume reduction of entrainment defects. The positive effect of void-volume reduction on the quality of castings has been widely demonstrated by the HIP process [67]. As the evolution processes discussed in Section 4.1–4.2, the oxide films of entrainment defects can grow together due to an ongoing reaction between the entrained gas and surrounding AZ91 alloy melt. The volume of the final solid products was significant small compared with the entrained gas (i.e., 0.044% as previously mentioned).

Therefore, the consumption rate of the entrained gas (i.e., the growth rate of oxide films) may be a critical parameter for improving the quality of AZ91 alloy castings. The oxide film growth rate in the oxidization cell was accordingly further investigated.

Fig. 14 shows a comparison of the surface film growth rates in different cover gases (i.e., 0.5%SF₆/air and 0.5%SF₆/CO₂). 15 random points on each sample were selected for film thickness measurements. The 95% confidence interval (95%CI) was computed under an assumption that the variation of the film thickness followed a Gaussian distribution. It can be seen that all the surface films formed in 0.5%SF₆/air grew faster than those formed in 0.5%SF₆/CO₂. The different growth rates suggested that the entrained-gas consumption rate of 0.5%SF₆/air was higher than that of 0.5%SF₆/CO₂, which was more beneficial for the consumption of the entrained gas.

Fig. 14. A comparison of the AZ91 alloy oxide film growth rates in 0.5%SF6/air and 0.5%SF6/CO2

It should be noted that, in the oxidation cell, the contact area of liquid AZ91 alloy and cover gas (i.e. the size of the crucible) was relatively small with consideration of the large volume of melt and gas. Consequently, the holding time for the oxide film growth within the oxidation cell was comparatively long (i.e., 5–30 min). However, the entrainment defects contained in a real casting are comparatively very small (i.e., a few microns size as shown in Figs. 3–6, and [7]), and the entrained gas is fully enclosed by the surrounding melt, creating a relatively large contact area. Hence the reaction time for cover gas and the AZ91 alloy melt may be comparatively short. In addition, the solidification time of real Mg-alloy sand castings can be a few minutes (e.g. Guo [68] reported that a Mg-alloy sand casting with 60 mm diameter required 4 min to be solidified). Therefore, it can be expected that an entrained gas trapped during an Mg-alloy melt pouring process will be readily consumed by the surrounding melt, especially for sand castings and large-size castings, where solidification times are long.

Therefore, the different cover gases (0.5%SF₆/air and 0.5%SF₆/CO₂) associated with different consumption rates of the entrained gases may affect the reproducibility of the final castings. To verify this assumption, the AZ91 castings produced in 0.5%SF₆/air and 0.5%SF₆/CO₂ were machined into test bars for mechanical evaluation. A Weibull analysis was carried out using both linear least square (LLS) method and non-linear least square (non-LLS) method [69].

Fig. 15(a-b) shows a traditional 2-p linearized Weibull plot of the UTS and elongation of the AZ91 alloy castings, obtained by the LLS method. The estimator used is P= (i-0.5)/N, which was suggested to cause the lowest bias among all the popular estimators [69,70]. The casting produced in SF₆/air has an UTS Weibull moduli of 16.9, and an elongation Weibull moduli of 5.0. In contrast, the UTS and elongation Weibull modulus of the casting produced in SF₆/CO₂ are 7.7 and 2.7 respectively, suggesting that the reproducibility of the casting protected by SF₆/CO₂ were much lower than that produced in SF₆/air.

Fig. 15. The Weibull modulus of AZ91 castings produced in different atmospheres, estimated by (a-b) the linear least square method, (c-d) the non-linear least square method, where SSR is the sum of residual squares.

In addition, the author’s previous publication [69] demonstrated a shortcoming of the linearized Weibull plots, which may cause a higher bias and incorrect R² interruption of the Weibull estimation. A Non-LLS Weibull estimation was therefore carried out, as shown in Fig. 15 (c-d). The UTS Weibull modulus of the SF₆/air casting was 20.8, while the casting produced under SF₆/CO₂ had a lower UTS Weibull modulus of 11.4, showing a clear difference in their reproducibility. In addition, the SF₆/air elongation (El%) dataset also had a Weibull modulus (shape = 5.8) higher than the elongation dataset of SF₆/CO₂ (shape = 3.1). Therefore, both the LLS and Non-LLS estimations suggested that the SF₆/air casting has a higher reproducibility than the SF₆/CO₂ casting. It supports the method that the use of air instead of CO₂ contributes to a quicker consumption of the entrained gas, which may reduce the void volume within the defects. Therefore, the use of 0.5%SF₆/air instead of 0.5%SF₆/CO₂ (which increased the consumption rate of the entrained gas) improved the reproducibility of the AZ91 castings.

However, it should be noted that not all the Mg-alloy foundries followed the casting process used in present work. The Mg-alloy melt in present work was degassed, thus reducing the effect of hydrogen on the consumption of the entrained gas (i.e., hydrogen could diffuse into the entrained gas, potentially suppressing the depletion of the entrained gas [7,71,72]). In contrast, in Mg-alloy foundries, the Mg-alloy melt is not normally degassed, since it was widely believed that there is not a ‘gas problem’ when casting magnesium and hence no significant change in tensile properties [73]. Although studies have shown the negative effect of hydrogen on the mechanical properties of Mg-alloy castings [41,42,73], a degassing process is still not very popular in Mg-alloy foundries.

Moreover, in present work, the sand mould cavity was flushed with the SF₆ cover gas prior to pouring [22]. However, not all the Mg-alloy foundries flushed the mould cavity in this way. For example, the Stone Foundry Ltd (UK) used sulphur powder instead of the cover-gas flushing. The entrained gas within their castings may be SO₂/air, rather than the protective gas.

Therefore, although the results in present work have shown that using air instead of CO₂ improved the reproducibility of the final casting, it still requires further investigations to confirm the effect of carrier gases with respect to different industrial Mg-alloy casting processes.

7. Conclusion

Entrainment defects formed in an AZ91 alloy were observed. Their oxide films had two types of structure: single-layered and multi-layered. The multi-layered oxide film can grow together forming a sandwich-like structure in the final casting.2.

Both the experimental results and the theoretical thermodynamic calculations demonstrated that fluorides in the trapped gas were depleted prior to the consumption of sulphur. A three-stage evolution process of the double oxide film defects has been suggested. The oxide films contained different combinations of compounds, depending on the evolution stage. The defects formed in SF₆/air had a similar structure to those formed in SF₆/CO₂, but the compositions of their oxide films were different. The oxide-film formation and evolution process of the entrainment defects were different from that of the Mg-alloy surface films previous reported (i.e., MgO formed prior to MgF₂).3.

The growth rate of the oxide film was demonstrated to be greater under SF₆/air than SF₆/CO₂, contributing to a quicker consumption of the damaging entrapped gas. The reproducibility of an AZ91 alloy casting improved when using SF₆/air instead of SF₆/CO₂.

Acknowledgements

The authors acknowledge funding from the EPSRC LiME grant EP/H026177/1, and the help from Dr W.D. Griffiths and Mr. Adrian Carden (University of Birmingham). The casting work was carried out in University of Birmingham.

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Fig. 6. Experiment of waves passing through a single block of porous medium.

Generalization of a three-layer model for wave attenuation in n-block submerged porous breakwater

NadhiraKarima^a IkhaMagdalena^a^b IndrianaMarcela^a MohammadFarid^b^aFaculty of Mathematics and Natural Sciences, Bandung Institute of Technology, 40132, Indonesia^bCenter for Coastal and Marine Development, Bandung Institute of Technology, Indonesia

Highlights

•A new three-layer model for n-block submerged porous breakwaters is developed.

•New analytical approach in finding the wave transmission coefficient is presented.

•A finite volume method successfully simulates the wave attenuation process.

•Porous media blocks characteristics and configuration can optimize wave reduction.

Abstract

높은 파도 진폭은 해안선에 위험한 영향을 미치고 해안 복원력을 약화시킬 수 있습니다. 그러나 다중 다공성 매체는 해양 생태계의 환경 친화적인 해안 보호 역할을 할 수 있습니다.

이 논문에서 우리는 n개의 잠긴 다공성 미디어 블록이 있는 영역에서 파동 진폭 감소를 계산하기 위해 3층 깊이 통합 방정식을 사용합니다. 수학적 모델은 파동 전달 계수를 얻기 위해 여러 행렬 방정식을 포함하는 변수 분리 방법을 사용하여 해석적으로 해결됩니다.

이 계수는 진폭 감소의 크기에 대한 정보를 제공합니다. 또한 모델을 수치적으로 풀기 위해 지그재그 유한 체적 방법이 적용됩니다.

수치 시뮬레이션을 통해 다공성 매질 블록의 구성과 특성이 투과파 진폭을 줄이는 데 중요하다는 결론을 내렸습니다.

High wave amplitudes may cause dangerous effects on the shoreline and weaken coastal resilience. However, multiple porous media can act as environmental friendly coastal protectors of the marine ecosystem. In this paper, we use three-layer depth-integrated equations to calculate wave amplitude reduction in a domain with n submerged porous media blocks. The mathematical model is solved analytically using the separation of variables method involving several matrix equations to obtain the wave transmission coefficient. This coefficient provides information about the magnitude of amplitude reduction. Additionally, a staggered finite volume method is applied to solve the model numerically. By conducting numerical simulations, we conclude that porous media blocks’ configuration and characteristics are crucial in reducing transmitted wave amplitude.

Keywords

Three-layer equations, Submerged porous media, Wave transmission coefficient, Finite volume method

Fig. 1. Sketch of the problem configuration.

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N. TONEKABONI H. SALARIAN M. Eshagh NIMVARI J. KHALEGHINIA https://doi.org/10.18186/thermal.990897

PDF 원문보기

Figure 2. Schematic diagram for pilot-scale cooling-water circulation system (a) along with a real picture of the system (b).

Application of Computational Fluid Dynamics in Chlorine-Dynamics Modeling of In-Situ Chlorination Systems for Cooling Systems

Jongchan Yi 1, Jonghun Lee 1, Mohd Amiruddin Fikri 2,3, Byoung-In Sang 4 and Hyunook Kim 1,*

Abstract

염소화는 상대적인 효율성과 저렴한 비용으로 인해 발전소 냉각 시스템에서 생물학적 오염을 제어하는데 선호되는 방법입니다. 해안 지역에 발전소가 있는 경우 바닷물을 사용하여 현장에서 염소를 전기화학적으로 생성할 수 있습니다. 이를 현장 전기염소화라고 합니다. 이 접근 방식은 유해한 염소화 부산물이 적고 염소를 저장할 필요가 없다는 점을 포함하여 몇 가지 장점이 있습니다. 그럼에도 불구하고, 이 전기화학적 공정은 실제로는 아직 초기 단계에 있습니다. 이 연구에서는 파일럿 규모 냉각 시스템에서 염소 붕괴를 시뮬레이션하기 위해 병렬 1차 동역학을 적용했습니다. 붕괴가 취수관을 따라 발생하기 때문에 동역학은 전산유체역학(CFD) 코드에 통합되었으며, 이후에 파이프의 염소 거동을 시뮬레이션하는데 적용되었습니다. 실험과 시뮬레이션 데이터는 강한 난류가 형성되는 조건하에서도 파이프 벽을 따라 염소 농도가 점진적인 것으로 나타났습니다. 염소가 중간보다 파이프 표면을 따라 훨씬 더 집중적으로 남아 있다는 사실은 전기 염소화를 기반으로 하는 시스템의 전체 염소 요구량을 감소시킬 수 있었습니다. 현장 전기 염소화 방식의 냉각 시스템은 직접 주입 방식에 필요한 염소 사용량의 1/3만 소비했습니다. 따라서 현장 전기염소화는 해안 지역의 발전소에서 바이오파울링 제어를 위한 비용 효율적이고 환경 친화적인 접근 방식으로 사용될 수 있다고 결론지었습니다.

Chlorination is the preferred method to control biofouling in a power plant cooling system due to its comparative effectiveness and low cost. If a power plant is located in a coastal area, chlorine can be electrochemically generated in-situ using seawater, which is called in-situ electrochlorination; this approach has several advantages including fewer harmful chlorination byproducts and no need for chlorine storage. Nonetheless, this electrochemical process is still in its infancy in practice. In this study, a parallel first-order kinetics was applied to simulate chlorine decay in a pilot-scale cooling system. Since the decay occurs along the water-intake pipe, the kinetics was incorporated into computational fluid dynamics (CFD) codes, which were subsequently applied to simulate chlorine behavior in the pipe. The experiment and the simulation data indicated that chlorine concentrations along the pipe wall were incremental, even under the condition where a strong turbulent flow was formed. The fact that chlorine remained much more concentrated along the pipe surface than in the middle allowed for the reduction of the overall chlorine demand of the system based on the electro-chlorination. The cooling system, with an in-situ electro-chlorination, consumed only 1/3 of the chlorine dose demanded by the direct injection method. Therefore, it was concluded that in-situ electro-chlorination could serve as a cost-effective and environmentally friendly approach for biofouling control at power plants on coastal areas.

Keywords

computational fluid dynamics; power plant; cooling system; electro-chlorination; insitu chlorination

Figure 1. Electrodes and batch experiment set-up. (a) Two cylindrical electrodes used in this study. (b) Batch experiment set-up for kinetic tests.

Figure 3. Free chlorine decay curves in seawater with different TOC and initial chlorine concentration. Each line represents the predicted concentration of chlorine under a given condition. (a) Artificial seawater solution with 1 mg L−1 of TOC; (b) artificial seawater solution with 2 mg L−1 of TOC; (c) artificial seawater solution with 3 mg L−1 of TOC; (d) West Sea water (1.3 mg L−1 of TOC).

Figure 4. Correlation between model and experimental data in the chlorine kinetics using seawater.

Figure 5. Free chlorine concentrations in West Sea water under different current conditions in an insitu electro-chlorination system.

Figure 6. Free chlorine distribution along the sampling ports under different flow rates. Each dot represents experimental data, and each point on the black line is the expected chlorine concentration obtained from computational fluid dynamics (CFD) simulation with a parallel first-order decay model. The red-dotted line is the desirable concentration at the given flow rate: (a) 600 L min−1 of flow rate, (b) 700 L min−1 of flow rate, (c) 800 L min−1 of flow rate, (d) 900 L min−1 of flow rate.

Figure 7. Fluid contour images from CFD simulation of the electro-chlorination experiment. Inlet flow rate is 800 L min−1. Outlet pressure was set to 10.8 kPa. (a) Chlorine concentration; (b) expanded view of electrode side in image (a); (c) velocity magnitude; (d) pressure.

Figure 8. Chlorine concentration contour in the simulation of full-scale in-situ electro-chlorination with different cathode positions. The pipe diameter is 2 m and the flow rate is 14 m3 s−1. The figure shows 10 m of the pipeline. (a) The simulation result when the cathode is placed on the surface of the pipe wall. (b) The simulation result when the cathode is placed on the inside of the pipe with 100 mm of distance from the pipe wall.

Figure 9. Comparison of in-situ electro-chlorination and direct chlorine injection in full-scale applications. (a) Estimated chlorine concentrations along the pipe surface. (b) Relative chlorine demands.

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Multiscale Process Modeling of Residual Deformation and Defect Formation for Laser Powder Bed Fusion Additive Manufacturing

Qian Chen, PhD
University of Pittsburgh, 2021

레이저 분말 베드 퓨전(L-PBF) 적층 제조(AM)는 우수한 기계적 특성으로 그물 모양에 가까운 복잡한 부품을 생산할 수 있습니다. 그러나 빌드 실패 및 다공성과 같은 결함으로 이어지는 원치 않는 잔류 응력 및 왜곡이 L-PBF의 광범위한 적용을 방해하고 있습니다.

L-PBF의 잠재력을 최대한 실현하기 위해 잔류 변형, 용융 풀 및 다공성 형성을 예측하는 다중 규모 모델링 방법론이 개발되었습니다. L-PBF의 잔류 변형 및 응력을 부품 규모에서 예측하기 위해 고유 변형 방법을 기반으로 하는 다중 규모 프로세스 모델링 프레임워크가 제안됩니다.

고유한 변형 벡터는 마이크로 스케일에서 충실도가 높은 상세한 다층 프로세스 시뮬레이션에서 추출됩니다. 균일하지만 이방성인 변형은 잔류 왜곡 및 응력을 예측하기 위해 준 정적 평형 유한 요소 분석(FEA)에서 레이어별로 L-PBF 부품에 적용됩니다.

부품 규모에서의 잔류 변형 및 응력 예측 외에도 분말 규모의 다중물리 모델링을 수행하여 공정 매개변수, 예열 온도 및 스패터링 입자에 의해 유도된 용융 풀 변동 및 결함 형성을 연구합니다. 이러한 요인과 관련된 용융 풀 역학 및 다공성 형성 메커니즘은 시뮬레이션 및 실험을 통해 밝혀졌습니다.

제안된 부품 규모 잔류 응력 및 왜곡 모델을 기반으로 경로 계획 방법은 큰 잔류 변형 및 건물 파손을 방지하기 위해 주어진 형상에 대한 레이저 스캐닝 경로를 조정하기 위해 개발되었습니다.

연속 및 아일랜드 스캐닝 전략을 위한 기울기 기반 경로 계획이 공식화되고 공식화된 컴플라이언스 및 스트레스 최소화 문제에 대한 전체 감도 분석이 수행됩니다. 이 제안된 경로 계획 방법의 타당성과 효율성은 AconityONE L-PBF 시스템을 사용하여 실험적으로 입증되었습니다.

또한 기계 학습을 활용한 데이터 기반 프레임워크를 개발하여 L-PBF에 대한 부품 규모의 열 이력을 예측합니다. 본 연구에서는 실시간 열 이력 예측을 위해 CNN(Convolutional Neural Network)과 RNN(Recurrent Neural Network)을 포함하는 순차적 기계 학습 모델을 제안합니다.

유한 요소 해석과 비교하여 100배의 예측 속도 향상이 달성되어 실제 제작 프로세스보다 빠른 예측이 가능하고 실시간 온도 프로파일을 사용할 수 있습니다.

Laser powder bed fusion (L-PBF) additive manufacturing (AM) is capable of producing complex parts near net shape with good mechanical properties. However, undesired residual stress and distortion that lead to build failure and defects such as porosity are preventing broader applications of L-PBF. To realize the full potential of L-PBF, a multiscale modeling methodology is developed to predict residual deformation, melt pool, and porosity formation. To predict the residual deformation and stress in L-PBF at part-scale, a multiscale process modeling framework based on inherent strain method is proposed.

Inherent strain vectors are extracted from detailed multi-layer process simulation with high fidelity at micro-scale. Uniform but anisotropic strains are then applied to L-PBF part in a layer-by-layer fashion in a quasi-static equilibrium finite element analysis (FEA) to predict residual distortion and stress. Besides residual distortion and stress prediction at part scale, multiphysics modeling at powder scale is performed to study the melt pool variation and defect formation induced by process parameters, preheating temperature and spattering particles. Melt pool dynamics and porosity formation mechanisms associated with these factors are revealed through simulation and experiments.

Based on the proposed part-scale residual stress and distortion model, path planning method is developed to tailor the laser scanning path for a given geometry to prevent large residual deformation and building failures. Gradient based path planning for continuous and island scanning strategy is formulated and full sensitivity analysis for the formulated compliance- and stress-minimization problem is performed.

The feasibility and effectiveness of this proposed path planning method is demonstrated experimentally using the AconityONE L-PBF system. In addition, a data-driven framework utilizing machine learning is developed to predict the thermal history at part-scale for L-PBF.

In this work, a sequential machine learning model including convolutional neural network (CNN) and recurrent neural network (RNN), long shortterm memory unit, is proposed for real-time thermal history prediction. A 100x prediction speed improvement is achieved compared to the finite element analysis which makes the prediction faster than real fabrication process and real-time temperature profile available.

Figure 1.1: Schematic Overview of Metal Laser Powder Bed Fusion Process [2]

Figure 1.2: Commercial Powder Bed Fusion Systems

Figure 1.3: Commercial Metal Components Fabricated by Powder Bed Fusion Additive Manufacturing: (a) GE Fuel Nozzle; (b) Stryker Hip Biomedical Implant.

Figure 2.1: Proposed Multiscale Process Simulation Framework

Figure 2.2: (a) Experimental Setup for In-situ Thermocouple Measurement in the EOS M290 Build Chamber; (b) Themocouple Locations on the Bottom Side of the Substrate.

Figure 2.3: (a) Finite Element Model for Single Layer Thermal Analysis; (b) Deposition Layer

Figure 2.4: Core-skin layer: (a) Surface Morphology; (b) Scanning Strategy; (c) Transient Temperature Distribution and Temperature History at (d) Point 1; (e) Point 2 and (f) Point 3

Figure 2.5: (a) Scanning Orientation of Each Layer; (b) Finite Element Model for Micro-scale Representative Volume

Figure 2.6: Bottom Layer (a) Thermal History; (b) Plastic Strain and (c) Elastic Strain Evolution History

Figure 2.7: Bottom Layer Inherent Strain under Default Process Parameters along Horizontal Scanning Path

Figure 2.8: Snapshots of the Element Activation Process

Figure 2.9: Double Cantilever Beam Structure Built by the EOS M290 DMLM Process (a) Before and (b) After Cutting off; (c) Faro Laser ScanArm V3 for Distortion Measurement

Figure 2.10: Square Canonical Structure Built by the EOS M290 DMLM Process

Figure 2.11: Finite Element Mesh for the Square Canonical and Snapshots of Element Activation Process

Figure 2.12: Simulated Distortion Field for the Double Cantilever Beam before Cutting off the Supports: (a) Inherent Strain Method; (b) Simufact Additive 3.1

Figure 3.10: Snapshots of Temperature Profile for Single Track in Keyhole Regime (P = 250W and V = 0.5m/s) at the Preheating Temperature of 100 °C

s) at the Preheating Temperature of 500 °C

Figure 3.15: Melt Pool Cross Section Comparison Between Simulation and Experiment for Single Track

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Figure 3 Simulation PTC pipes enhanced with copper foam and nanoparticles in FLOW-3D software.

다공성 미디어 및 나노유체에 의해 강화된 수집기로 태양광 CCHP 시스템의 최적화

Optimization of Solar CCHP Systems with Collector Enhanced by Porous Media and Nanofluid

Navid Tonekaboni,¹Mahdi Feizbahr,² Nima Tonekaboni,¹Guang-Jun Jiang,^3,4 and Hong-Xia Chen^3,4

Abstract

태양열 집열기의 낮은 효율은 CCHP(Solar Combined Cooling, Heating, and Power) 사이클의 문제점 중 하나로 언급될 수 있습니다. 태양계를 개선하기 위해 나노유체와 다공성 매체가 태양열 집열기에 사용됩니다.

다공성 매질과 나노입자를 사용하는 장점 중 하나는 동일한 조건에서 더 많은 에너지를 흡수할 수 있다는 것입니다. 이 연구에서는 평균 일사량이 1b인 따뜻하고 건조한 지역의 600 m2 건물의 전기, 냉방 및 난방을 생성하기 위해 다공성 매질과 나노유체를 사용하여 태양열 냉난방 복합 발전(SCCHP) 시스템을 최적화했습니다.

본 논문에서는 침전물이 형성되지 않는 lb = 820 w/m²(이란) 정도까지 다공성 물질에서 나노유체의 최적량을 계산하였다. 이 연구에서 태양열 집열기는 구리 다공성 매체(95% 다공성)와 CuO 및 Al2O3 나노 유체로 향상되었습니다.

나노유체의 0.1%-0.6%가 작동 유체로 물에 추가되었습니다. 나노유체의 0.5%가 태양열 집열기 및 SCCHP 시스템에서 가장 높은 에너지 및 엑서지 효율 향상으로 이어지는 것으로 밝혀졌습니다.

본 연구에서 포물선형 집열기(PTC)의 최대 에너지 및 엑서지 효율은 각각 74.19% 및 32.6%입니다. 그림 1은 태양 CCHP의 주기를 정확하게 설명하기 위한 그래픽 초록으로 언급될 수 있습니다.

The low efficiency of solar collectors can be mentioned as one of the problems in solar combined cooling, heating, and power (CCHP) cycles. For improving solar systems, nanofluid and porous media are used in solar collectors. One of the advantages of using porous media and nanoparticles is to absorb more energy under the same conditions. In this research, a solar combined cooling, heating, and power (SCCHP) system has been optimized by porous media and nanofluid for generating electricity, cooling, and heating of a 600 m² building in a warm and dry region with average solar radiation of Ib = 820 w/m² in Iran. In this paper, the optimal amount of nanofluid in porous materials has been calculated to the extent that no sediment is formed. In this study, solar collectors were enhanced with copper porous media (95% porosity) and CuO and Al₂O₃ nanofluids. 0.1%–0.6% of the nanofluids were added to water as working fluids; it is found that 0.5% of the nanofluids lead to the highest energy and exergy efficiency enhancement in solar collectors and SCCHP systems. Maximum energy and exergy efficiency of parabolic thermal collector (PTC) riches in this study are 74.19% and 32.6%, respectively. Figure 1 can be mentioned as a graphical abstract for accurately describing the cycle of solar CCHP.

1. Introduction

Due to the increase in energy consumption, the use of clean energy is one of the important goals of human societies. In the last four decades, the use of cogeneration cycles has increased significantly due to high efficiency. Among clean energy, the use of solar energy has become more popular due to its greater availability [1]. Low efficiency of energy production, transmission, and distribution system makes a new system to generate simultaneously electricity, heating, and cooling as an essential solution to be widely used. The low efficiency of the electricity generation, transmission, and distribution system makes the CCHP system a basic solution to eliminate waste of energy. CCHP system consists of a prime mover (PM), a power generator, a heat recovery system (produce extra heating/cooling/power), and thermal energy storage (TES) [2]. Solar combined cooling, heating, and power (SCCHP) has been started three decades ago. SCCHP is a system that receives its propulsive force from solar energy; in this cycle, solar collectors play the role of propulsive for generating power in this system [3].

Increasing the rate of energy consumption in the whole world because of the low efficiency of energy production, transmission, and distribution system causes a new cogeneration system to generate electricity, heating, and cooling energy as an essential solution to be widely used. Building energy utilization fundamentally includes power required for lighting, home electrical appliances, warming and cooling of building inside, and boiling water. Domestic usage contributes to an average of 35% of the world’s total energy consumption [4].

Due to the availability of solar energy in all areas, solar collectors can be used to obtain the propulsive power required for the CCHP cycle. Solar energy is the main source of energy in renewable applications. For selecting a suitable area to use solar collectors, annual sunshine hours, the number of sunny days, minus temperature and frosty days, and the windy status of the region are essentially considered [5]. Iran, with an average of more than 300 sunny days, is one of the suitable countries to use solar energy. Due to the fact that most of the solar radiation is in the southern regions of Iran, also the concentration of cities is low in these areas, and transmission lines are far apart, one of the best options is to use CCHP cycles based on solar collectors [6]. One of the major problems of solar collectors is their low efficiency [7]. Low efficiency increases the area of collectors, which increases the initial cost of solar systems and of course increases the initial payback period. To increase the efficiency of solar collectors and improve their performance, porous materials and nanofluids are used to increase their workability.

There are two ways to increase the efficiency of solar collectors and mechanical and fluid improvement. In the first method, using porous materials or helical filaments inside the collector pipes causes turbulence of the flow and increases heat transfer. In the second method, using nanofluids or salt and other materials increases the heat transfer of water. The use of porous materials has grown up immensely over the past twenty years. Porous materials, especially copper porous foam, are widely used in solar collectors. Due to the high contact surface area, porous media are appropriate candidates for solar collectors [8]. A number of researchers investigated Solar System performance in accordance with energy and exergy analyses. Zhai et al. [9] reviewed the performance of a small solar-powered system in which the energy efficiency was 44.7% and the electrical efficiency was 16.9%.

Abbasi et al. [10] proposed an innovative multiobjective optimization to optimize the design of a cogeneration system. Results showed the CCHP system based on an internal diesel combustion engine was the applicable alternative at all regions with different climates. The diesel engine can supply the electrical requirement of 31.0% and heating demand of 3.8% for building.

Jiang et al. [11] combined the experiment and simulation together to analyze the performance of a cogeneration system. Moreover, some research focused on CCHP systems using solar energy. It integrated sustainable and renewable technologies in the CCHP, like PV, Stirling engine, and parabolic trough collector (PTC) [2, 12–15].

Wang et al. [16] optimized a cogeneration solar cooling system with a Rankine cycle and ejector to reach the maximum total system efficiency of 55.9%. Jing et al. analyzed a big-scale building with the SCCHP system and auxiliary heaters to produced electrical, cooling, and heating power. The maximum energy efficiency reported in their work is 46.6% [17]. Various optimization methods have been used to improve the cogeneration system, minimum system size, and performance, such as genetic algorithm [18, 19].

Hirasawa et al. [20] investigated the effect of using porous media to reduce thermal waste in solar systems. They used the high-porosity metal foam on top of the flat plate solar collector and observed that thermal waste decreased by 7% due to natural heat transfer. Many researchers study the efficiency improvement of the solar collector by changing the collector’s shapes or working fluids. However, the most effective method is the use of nanofluids in the solar collector as working fluid [21]. In the experimental study done by Jouybari et al. [22], the efficiency enhancement up to 8.1% was achieved by adding nanofluid in a flat plate collector. In this research, by adding porous materials to the solar collector, collector efficiency increased up to 92% in a low flow regime. Subramani et al. [23] analyzed the thermal performance of the parabolic solar collector with Al₂O₃ nanofluid. They conducted their experiments with Reynolds number range 2401 to 7202 and mass flow rate 0.0083 to 0.05 kg/s. The maximum efficiency improvement in this experiment was 56% at 0.05 kg/s mass flow rate.

Shojaeizadeh et al. [24] investigated the analysis of the second law of thermodynamic on the flat plate solar collector using Al₂O₃/water nanofluid. Their research showed that energy efficiency rose up to 1.9% and the exergy efficiency increased by a maximum of 0.72% compared to pure water. Tiwari et al. [25] researched on the thermal performance of solar ﬂat plate collectors for working fluid water with different nanoﬂuids. The result showed that using 1.5% (optimum) particle volume fraction of Al₂O₃ nanoﬂuid as an absorbing medium causes the thermal efﬁciency to enhance up to 31.64%.

The effect of porous media and nanofluids on solar collectors has already been investigated in the literature but the SCCHP system with a collector embedded by both porous media and nanofluid for enhancing the ratio of nanoparticle in nanofluid for preventing sedimentation was not discussed. In this research, the amount of energy and exergy of the solar CCHP cycles with parabolic solar collectors in both base and improved modes with a porous material (copper foam with 95% porosity) and nanofluid with different ratios of nanoparticles was calculated. In the first step, it is planned to design a CCHP system based on the required load, and, in the next step, it will analyze the energy and exergy of the system in a basic and optimize mode. In the optimize mode, enhanced solar collectors with porous material and nanofluid in different ratios (0.1%–0.7%) were used to optimize the ratio of nanofluids to prevent sedimentation.

2. Cycle Description

CCHP is one of the methods to enhance energy efficiency and reduce energy loss and costs. The SCCHP system used a solar collector as a prime mover of the cogeneration system and assisted the boiler to generate vapor for the turbine. Hot water flows from the expander to the absorption chiller in summer or to the radiator or fan coil in winter. Finally, before the hot water wants to flow back to the storage tank, it flows inside a heat exchanger for generating domestic hot water [26].

For designing of solar cogeneration system and its analysis, it is necessary to calculate the electrical, heating (heating load is the load required for the production of warm water and space heating), and cooling load required for the case study considered in a residential building with an area of 600 m² in the warm region of Iran (Zahedan). In Table 1, the average of the required loads is shown for the different months of a year (average of electrical, heating, and cooling load calculated with CARRIER software).Table 1 The average amount of electric charges, heating load, and cooling load used in the different months of the year in the city of Zahedan for a residential building with 600 m².

According to Table 1, the maximum magnitude of heating, cooling, and electrical loads is used to calculate the cogeneration system. The maximum electric load is 96 kW, the maximum amount of heating load is 62 kW, and the maximum cooling load is 118 kW. Since the calculated loads are average, all loads increased up to 10% for the confidence coefficient. With the obtained values, the solar collector area and other cogeneration system components are calculated. The cogeneration cycle is capable of producing 105 kW electric power, 140 kW cooling capacity, and 100 kW heating power.

2.1. System Analysis Equations

An analysis is done by considering the following assumptions:(1)The system operates under steady-state conditions(2)The system is designed for the warm region of Iran (Zahedan) with average solar radiation Ib = 820 w/m²(3)The pressure drops in heat exchangers, separators, storage tanks, and pipes are ignored(4)The pressure drop is negligible in all processes and no expectable chemical reactions occurred in the processes(5)Potential, kinetic, and chemical exergy are not considered due to their insignificance(6)Pumps have been discontinued due to insignificance throughout the process(7)All components are assumed adiabatic

Schematic shape of the cogeneration cycle is shown in Figure 1 and all data are given in Table 2.

Figure 1 Schematic shape of the cogeneration cycle.Table 2 Temperature and humidity of different points of system.

Based on the first law of thermodynamic, energy analysis is based on the following steps.

First of all, the estimated solar radiation energy on collector has been calculated:where α is the heat transfer enhancement coefficient based on porous materials added to the collector’s pipes. The coefficient α is increased by the porosity percentage, the type of porous material (in this case, copper with a porosity percentage of 95), and the flow of fluid to the collector equation.

Collector efficiency is going to be calculated by the following equation [9]:

Total energy received by the collector is given by [9]

Also, the auxiliary boiler heat load is [2]

Energy consumed from vapor to expander is calculated by [2]

The power output form by the screw expander [9]:

The efficiency of the expander is 80% in this case [11].

In this step, cooling and heating loads were calculated and then, the required heating load to reach sanitary hot water will be calculated as follows:

First step: calculating the cooling load with the following equation [9]:

Second step: calculating heating loads [9]:

Then, calculating the required loud for sanitary hot water will be [9]

According to the above-mentioned equations, efficiency is [9]

In the third step, calculated exergy analysis as follows.

First, the received exergy collector from the sun is calculated [9]:

In the previous equation, f is the constant of air dilution.

The received exergy from the collector is [9]

In the case of using natural gas in an auxiliary heater, the gas exergy is calculated from the following equation [12]:

Delivering exergy from vapor to expander is calculated with the following equation [9]:

In the fourth step, the exergy in cooling and heating is calculated by the following equation:

Cooling exergy in summer is calculated [9]:

Heating exergy in winter is calculated [9]:

In the last step based on thermodynamic second law, exergy efficiency has been calculated from the following equation and the above-mentioned calculated loads [9]:

3. Porous Media

The porous medium that filled the test section is copper foam with a porosity of 95%. The foams are determined in Figure 2 and also detailed thermophysical parameters and dimensions are shown in Table 3.

Figure 2 Copper foam with a porosity of 95%.Table 3 Thermophysical parameters and dimensions of copper foam.

In solar collectors, copper porous materials are suitable for use at low temperatures and have an easier and faster manufacturing process than ceramic porous materials. Due to the high coefficient conductivity of copper, the use of copper metallic foam to increase heat transfer is certainly more efficient in solar collectors.

Porous media and nanofluid in solar collector’s pipes were simulated in FLOW-3D software using the finite-difference method [27]. Nanoparticles Al₂O₃ and CUO are mostly used in solar collector enhancement. In this research, different concentrations of nanofluid are added to the parabolic solar collectors with porous materials (copper foam with porosity of 95%) to achieve maximum heat transfer in the porous materials before sedimentation. After analyzing PTC pipes with the nanofluid flow in FLOW-3D software, for energy and exergy efficiency analysis, Carrier software results were used as EES software input. Simulation PTC with porous media inside collector pipe and nanofluids sedimentation is shown in Figure 3.

Figure 3 Simulation PTC pipes enhanced with copper foam and nanoparticles in FLOW-3D software.

3.1. Nano Fluid

In this research, copper and silver nanofluids (Al₂O₃, CuO) have been added with percentages of 0.1%–0.7% as the working fluids. The nanoparticle properties are given in Table 4. Also, system constant parameters are presented in Table 4, which are available as default input in the EES software.Table 4 Properties of the nanoparticles [9].

System constant parameters for input in the software are shown in Table 5.Table 5 System constant parameters.

The thermal properties of the nanofluid can be obtained from equations (18)–(21). The basic fluid properties are indicated by the index (bf) and the properties of the nanoparticle silver with the index (np).

The density of the mixture is shown in the following equation [28]:where ρ is density and ϕ is the nanoparticles volume fraction.

The specific heat capacity is calculated from the following equation [29]:

The thermal conductivity of the nanofluid is calculated from the following equation [29]:

The parameter β is the ratio of the nanolayer thickness to the original particle radius and, usually, this parameter is taken equal to 0.1 for the calculated thermal conductivity of the nanofluids.

The mixture viscosity is calculated as follows [30]:

In all equations, instead of water properties, working fluids with nanofluid are used. All of the above equations and parameters are entered in the EES software for calculating the energy and exergy of solar collectors and the SCCHP cycle. All calculation repeats for both nanofluids with different concentrations of nanofluid in the solar collector’s pipe.

4. Results and Discussion

In the present study, relations were written according to Wang et al. [16] and the system analysis was performed to ensure the correctness of the code. The energy and exergy charts are plotted based on the main values of the paper and are shown in Figures 4 and 5. The error rate in this simulation is 1.07%.

Figure 4 Verification charts of energy analysis results.

Figure 5 Verification charts of exergy analysis results.

We may also investigate the application of machine learning paradigms [31–41] and various hybrid, advanced optimization approaches that are enhanced in terms of exploration and intensification [42–55], and intelligent model studies [56–61] as well, for example, methods such as particle swarm optimizer (PSO) [60, 62], differential search (DS) [63], ant colony optimizer (ACO) [61, 64, 65], Harris hawks optimizer (HHO) [66], grey wolf optimizer (GWO) [53, 67], differential evolution (DE) [68, 69], and other fusion and boosted systems [41, 46, 48, 50, 54, 55, 70, 71].

At the first step, the collector is modified with porous copper foam material. 14 cases have been considered for the analysis of the SCCHP system (Table 6). It should be noted that the adding of porous media causes an additional pressure drop inside the collector [9, 22–26, 30, 72]. All fourteen cases use copper foam with a porosity of 95 percent. To simulate the effect of porous materials and nanofluids, the first solar PTC pipes have been simulated in the FLOW-3D software and then porous media (copper foam with porosity of 95%) and fluid flow with nanoparticles (AL₂O₃ and CUO) are generated in the software. After analyzing PTC pipes in FLOW-3D software, for analyzing energy and exergy efficiency, software outputs were used as EES software input for optimization ratio of sedimentation and calculating energy and exergy analyses.Table 6 Collectors with different percentages of nanofluids and porous media.

In this research, an enhanced solar collector with both porous media and Nanofluid is investigated. In the present study, 0.1–0.5% CuO and Al₂O₃ concentration were added to the collector fully filled by porous media to achieve maximum energy and exergy efficiencies of solar CCHP systems. All steps of the investigation are shown in Table 6.

Energy and exergy analyses of parabolic solar collectors and SCCHP systems are shown in Figures 6 and 7.

Figure 6 Energy and exergy efficiencies of the PTC with porous media and nanofluid.

Figure 7 Energy and exergy efficiency of the SCCHP.

Results show that the highest energy and exergy efficiencies are 74.19% and 32.6%, respectively, that is achieved in Step 12 (parabolic collectors with filled porous media and 0.5% Al₂O₃). In the second step, the maximum energy efficiency of SCCHP systems with fourteen steps of simulation are shown in Figure 7.

In the second step, where 0.1, −0.6% of the nanofluids were added, it is found that 0.5% leads to the highest energy and exergy efficiency enhancement in solar collectors and SCCHP systems. Using concentrations more than 0.5% leads to sediment in the solar collector’s pipe and a decrease of porosity in the pipe [73]. According to Figure 7, maximum energy and exergy efficiencies of SCCHP are achieved in Step 12. In this step energy efficiency is 54.49% and exergy efficiency is 18.29%. In steps 13 and 14, with increasing concentration of CUO and Al₂O₃ nanofluid solution in porous materials, decreasing of energy and exergy efficiency of PTC and SCCHP system at the same time happened. This decrease in efficiency is due to the formation of sediment in the porous material. Calculations and simulations have shown that porous materials more than 0.5% nanofluids inside the collector pipe cause sediment and disturb the porosity of porous materials and pressure drop and reduce the coefficient of performance of the cogeneration system. Most experience showed that CUO and AL₂O₃ nanofluids with less than 0.6% percent solution are used in the investigation on the solar collectors at low temperatures and discharges [74]. One of the important points of this research is that the best ratio of nanofluids in the solar collector with a low temperature is 0.5% (AL₂O₃ and CUO); with this replacement, the cost of solar collectors and SCCHP cycle is reduced.

5. Conclusion and Future Directions

In the present study, ways for increasing the efficiency of solar collectors in order to enhance the efficiency of the SCCHP cycle are examined. The research is aimed at adding both porous materials and nanofluids for estimating the best ratio of nanofluid for enhanced solar collector and protecting sedimentation in porous media. By adding porous materials (copper foam with porosity of 95%) and 0.5% nanofluids together, high efficiency in solar parabolic collectors can be achieved. The novelty in this research is the addition of both nanofluids and porous materials and calculating the best ratio for preventing sedimentation and pressure drop in solar collector’s pipe. In this study, it was observed that, by adding 0.5% of AL₂O₃ nanofluid in working fluids, the energy efficiency of PTC rises to 74.19% and exergy efficiency is grown up to 32.6%. In SCCHP cycle, energy efficiency is 54.49% and exergy efficiency is 18.29%.

In this research, parabolic solar collectors fully filled by porous media (copper foam with a porosity of 95) are investigated. In the next step, parabolic solar collectors in the SCCHP cycle were simultaneously filled by porous media and different percentages of Al₂O₃ and CuO nanofluid. At this step, values of 0.1% to 0.6% of each nanofluid were added to the working fluid, and the efficiency of the energy and exergy of the collectors and the SCCHP cycle were determined. In this case, nanofluid and the porous media were used together in the solar collector and maximum efficiency achieved. 0.5% of both nanofluids were used to achieve the biggest efficiency enhancement.

In the present study, as expected, the highest efficiency is for the parabolic solar collector fully filled by porous material (copper foam with a porosity of 95%) and 0.5% Al₂O₃. Results of the present study are as follows:(1)The average enhancement of collectors’ efficiency using porous media and nanofluids is 28%.(2)Solutions with 0.1 to 0.5% of nanofluids (CuO and Al₂O₃) are used to prevent collectors from sediment occurrence in porous media.(3)Collector of solar cogeneration cycles that is enhanced by both porous media and nanofluid has higher efficiency, and the stability of output temperature is more as well.(4)By using 0.6% of the nanofluids in the enhanced parabolic solar collectors with copper porous materials, sedimentation occurs and makes a high-pressure drop in the solar collector’s pipe which causes decrease in energy efficiency.(5)Average enhancement of SCCHP cycle efficiency is enhanced by both porous media and nanofluid 13%.

Nomenclature

:	Solar radiation
a:	Heat transfer augmentation coefficient
A:	Solar collector area
Bf:	Basic fluid
:	Specific heat capacity of the nanofluid
F:	Constant of air dilution
:	Thermal conductivity of the nanofluid
:	Thermal conductivity of the basic fluid
:	Viscosity of the nanofluid
:	Viscosity of the basic fluid
:	Collector efficiency
:	Collector energy receives
:	Auxiliary boiler heat
:	Expander energy
:	Gas energy
:	Screw expander work
:	Cooling load, in kilowatts
:	Heating load, in kilowatts
:	Solar radiation energy on collector, in Joule
:	Sanitary hot water load
Np:	Nanoparticle
:	Energy efficiency
:	Heat exchanger efficiency
:	Sun exergy
:	Collector exergy
:	Natural gas exergy
:	Expander exergy
:	Cooling exergy
:	Heating exergy
:	Exergy efficiency
:	Steam mass flow rate
:	Hot water mass flow rate
:	Specific heat capacity of water
:	Power output form by the screw expander
T_am:	Average ambient temperature
:	Density of the mixture.

Greek symbols

ρ:	Density
ϕ:	Nanoparticles volume fraction
β:	Ratio of the nanolayer thickness.

Abbreviations

CCHP:	Combined cooling, heating, and power
EES:	Engineering equation solver.

Data Availability

For this study, data were generated by CARRIER software for the average electrical, heating, and cooling load of a residential building with 600 m² in the city of Zahedan, Iran.

Conflicts of Interest

The authors declare that they have no conflicts of interest.

Acknowledgments

This work was partially supported by the National Natural Science Foundation of China under Contract no. 71761030 and Natural Science Foundation of Inner Mongolia under Contract no. 2019LH07003.

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Energy and exergy analysis of an enhanced solar CCHP system with a collector embedded by porous media and nano fluid

Year 2021, Volume 7, Issue 6, 1489 – 1505, 02.09.2021

Abstract

The low efficiency of Collectors that absorb energy can be mentioned as one of the drawbacks in solar cogeneration cycles. In the present study, solar systems have been improved by adding porous media and Nanofluid to collectors. One advantage of using porous media and nanomaterials is to absorb more energy while the surface area is reduced. In this study, first, solar collectors are enhanced using 90% porosity copper in solar combined cooling, heating and power systems (SCCHP). Second, different percentages of CuO and Al2O3 nano-fluids are added to a flat plate and parabolic collectors to enhance thermal properties. Simulations are performed in different modes (simple parabolic collectors, simple flat plate collectors, improved flat plate collectors, parabolic collectors with porous media, and flat plate and parabolic collectors with different density of CuO and Al2O3 nanofluids). A case study is investigated for warm and dry regions with mean solar radiation Ib = 820 w / m2 in Iran. The maximum energy and exergy efficiencies are 60.12% and 18.84%, respectively, that is related to enhanced parabolic solar collectors with porous media and nanofluids. Adding porous media and nano-fluids increases an average 14.4% collector energy efficiency and 8.08% collector exergy efficiency.

Keywords

Exergy analysis, Solar cogeneration system, Porous media, Nanofluid

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Details

Primary Language	English
Subjects	Engineering
Journal Section	Articles
Authors	N. TONEKABONI This is me Islamic Azad University Nour Branch 0000-0002-1563-4407 IranH. SALARIAN This is me (Primary Author) Islamic Azad University Nour Branch 0000-0002-2161-0276 IranM. Eshagh NIMVARI This is me Amol University of Special Modern Technologies 0000-0002-7401-315X IranJ. KHALEGHINIA This is me Islamic Azad University Nour Branch 0000-0001-5357-193X Iran
Publication Date	September 2, 2021
Application Date	December 28, 2020
Acceptance Date	May 9, 2020
Published in Issue	Year 2021, Volume 7, Issue 6

원문 보기

Figure 2. (a) Scanning electron microscopy images of Ti6Al4V powder particles and (b) simulated powder bed using discrete element modelling

Laser Powder Bed에서 Laser Drilling에 의한 Keyhole 형성 Ti6Al4V 생체 의학 합금의 융합: 메조스코픽 전산유체역학 시뮬레이션 대 경험적 검증을 사용한 수학적 모델링

Keyhole Formation by Laser Drilling in Laser Powder Bed Fusion of Ti6Al4V Biomedical Alloy: Mesoscopic Computational Fluid Dynamics Simulation versus Mathematical Modelling Using Empirical Validation

Asif Ur Rehman 1,2,3,*
,† , Muhammad Arif Mahmood 4,*
,† , Fatih Pitir 1
, Metin Uymaz Salamci 2,3
,
Andrei C. Popescu 4 and Ion N. Mihailescu 4

Abstract

LPBF(Laser Powder Bed fusion) 공정에서 작동 조건은 열 분포를 기반으로 레이저 유도 키홀 영역을 결정하는 데 필수적입니다. 얕은 구멍과 깊은 구멍으로 분류되는 이러한 영역은 LPBF 프로세스에서 확률과 결함 형성 강도를 제어합니다.

LPBF 프로세스의 핵심 구멍을 연구하고 제어하기 위해 수학적 및 CFD(전산 유체 역학) 모델이 제공됩니다. CFD의 경우 이산 요소 모델링 기법을 사용한 유체 체적 방법이 사용되었으며, 분말 베드 보이드 및 표면에 의한 레이저 빔 흡수를 포함하여 수학적 모델이 개발되었습니다.

동적 용융 풀 거동을 자세히 살펴봅니다. 실험적, CFD 시뮬레이션 및 분석적 컴퓨팅 결과 간에 정량적 비교가 수행되어 좋은 일치를 얻습니다.

LPBF에서 레이저 조사 영역 주변의 온도는 높은 내열성과 분말 입자 사이의 공기로 인해 분말층 주변에 비해 급격히 상승하여 레이저 횡방향 열파의 이동이 느려집니다. LPBF에서 키홀은 에너지 밀도에 의해 제어되는 얕고 깊은 키홀 모드로 분류될 수 있습니다. 에너지 밀도를 높이면 얕은 키홀 구멍 모드가 깊은 키홀 구멍 모드로 바뀝니다.

깊은 키홀 구멍의 에너지 밀도는 다중 반사와 키홀 구멍 내의 2차 반사 빔의 집중으로 인해 더 높아져 재료가 빠르게 기화됩니다.

깊은 키홀 구멍 모드에서는 온도 분포가 높기 때문에 액체 재료가 기화 온도에 가까우므로 얕은 키홀 구멍보다 구멍이 형성될 확률이 훨씬 높습니다. 온도가 급격히 상승하면 재료 밀도가 급격히 떨어지므로 비열과 융해 잠열로 인해 유체 부피가 증가합니다.

그 대가로 표면 장력을 낮추고 용융 풀 균일성에 영향을 미칩니다.

In the laser powder bed fusion (LPBF) process, the operating conditions are essential in determining laser-induced keyhole regimes based on the thermal distribution. These regimes, classified into shallow and deep keyholes, control the probability and defects formation intensity in the LPBF process. To study and control the keyhole in the LPBF process, mathematical and computational fluid dynamics (CFD) models are presented. For CFD, the volume of fluid method with the discrete element modeling technique was used, while a mathematical model was developed by including the laser beam absorption by the powder bed voids and surface. The dynamic melt pool behavior is explored in detail. Quantitative comparisons are made among experimental, CFD simulation and analytical computing results leading to a good correspondence. In LPBF, the temperature around the laser irradiation zone rises rapidly compared to the surroundings in the powder layer due to the high thermal resistance and the air between the powder particles, resulting in a slow travel of laser transverse heat waves. In LPBF, the keyhole can be classified into shallow and deep keyhole mode, controlled by the energy density. Increasing the energy density, the shallow keyhole mode transforms into the deep keyhole mode. The energy density in a deep keyhole is higher due to the multiple reflections and concentrations of secondary reflected beams within the keyhole, causing the material to vaporize quickly. Due to an elevated temperature distribution in deep keyhole mode, the probability of pores forming is much higher than in a shallow keyhole as the liquid material is close to the vaporization temperature. When the temperature increases rapidly, the material density drops quickly, thus, raising the fluid volume due to the specific heat and fusion latent heat. In return, this lowers the surface tension and affects the melt pool uniformity.

Keywords: laser powder bed fusion; computational fluid dynamics; analytical modelling; shallow
and deep keyhole modes; experimental correlation

Figure 1. Powder bed schematic with voids.

Figure 3. Temperature field contour formation at various time intervals (a) 0.695 ms, (b) 0.795 ms, (c) 0.995 ms and (d) 1.3 ms.

Figure 4. Detailed view of shallow depth melt mode with temperature field at 0.695 ms

Figure 5. Melt flow stream traces formation at various time intervals (a) 0.695 ms, (b) 0.795 ms, (c) 0.995 ms and (d) 1.3 ms

Figure 6. Density evolution of the melt pool at various time intervals (a) 0.695 ms, (b) 0.795 ms, (c) 0.995 ms and (d) 1.3 ms.

Figure 7. Un-melted and melted regions at different time intervals (a) 0.695 ms, (b) 0.795 ms, (c) 0.995 ms and (d) 1.3 ms

Figure 8. Transformation from shallow depth melt flow to deep keyhole formation when laser power increased from (a) 170 W to (b) 200 W

Figure 9. Stream traces and laser beam multiple reflections in deep keyhole melt flow mode

Figure 10. A comparison between analytical and CFD simulation results for peak thermal distribution value in the deep keyhole formation

Figure 11. A comparison among experiments [49], CFD and analytical simulations for deep keyhole top width and bottom width

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Flow velocity profiles for canals with a depth of 3 m and flow velocities of 5–5.3 m/s.

Optimization Algorithms and Engineering: Recent Advances and Applications

Mahdi Feizbahr,¹ Navid Tonekaboni,²Guang-Jun Jiang,^3,4 and Hong-Xia Chen^3,4Show moreAcademic Editor: Mohammad YazdiReceived08 Apr 2021Revised18 Jun 2021Accepted17 Jul 2021Published11 Aug 2021

Abstract

강의 식생은 거칠기를 증가시키고 평균 유속을 감소시키며, 유속 에너지를 감소시키고 강의 단면에서 유속 프로파일을 변경합니다. 자연의 많은 운하와 강은 홍수 동안 초목으로 덮여 있습니다. 운하의 조도는 식물의 영향을 많이 받으므로 홍수시 유동저항에 큰 영향을 미칩니다. 식물로 인한 흐름에 대한 거칠기 저항은 흐름 조건 및 식물에 따라 다르므로 모델은 유속, 흐름 깊이 및 운하를 따라 식생 유형의 영향을 고려하여 현재 속도를 시뮬레이션해야 합니다. 근관의 거칠기의 영향을 조사하기 위해 총 48개의 모델이 시뮬레이션되었습니다. 결과는 유속을 높임으로써 유속을 감소시키는 식생의 영향은 무시할 수 있는 반면, 해류가 더 낮은 유속일 때 유속을 감소시키는 식생의 영향은 분명히 상당함을 나타냈다.

1. Introduction

On the other hand, the relationship between the Darcy–Weisbach coefficient of friction and the shear velocity of the flow is as follows:

By using equation (6), equation (5) is converted as follows:

Shear stresses in equation (11) are obtained from the following equations:

In a study conducted using a software model on three density modes in the submerged state effect on flow velocity changes in 48 different modes was investigated (Table 1).Table 1 The studied models.

Figure 1 The simulated model and its boundary conditions.

Figure 2 Modeling the plant with cylindrical tubes at the bottom of the canal.

Figure 3 Velocity profiles in positions 2 and 5.

2. Modeling Results

After analyzing the models, the results were shown in graphs (Figures 4–14 ). The total number of experiments in this study was 48 due to the limitations of modeling.
(a)
(b)
(c)
(d)
(a)
(b)
(c)
(d)Figure 4 Flow velocity profiles for canals with a depth of 1 m and flow velocities of 3–3.3 m/s. Canal with a depth of 1 meter and a flow velocity of (a) 3 meters per second, (b) 3.1 meters per second, (c) 3.2 meters per second, and (d) 3.3 meters per second.

Figure 5 Canal diagram with a depth of 1 meter and a flow rate of 3 meters per second.

Figure 6 Canal diagram with a depth of 1 meter and a flow rate of 3.1 meters per second.

Figure 7 Canal diagram with a depth of 1 meter and a flow rate of 3.2 meters per second.

Figure 8 Canal diagram with a depth of 1 meter and a flow rate of 3.3 meters per second.
(a)
(b)
(c)
(d)
(a)
(b)
(c)
(d)Figure 9 Flow velocity profiles for canals with a depth of 2 m and flow velocities of 4–4.3 m/s. Canal with a depth of 2 meters and a flow rate of (a) 4 meters per second, (b) 4.1 meters per second, (c) 4.2 meters per second, and (d) 4.3 meters per second.

Figure 10 Canal diagram with a depth of 2 meters and a flow rate of 4 meters per second.

Figure 11 Canal diagram with a depth of 2 meters and a flow rate of 4.1 meters per second.

Figure 12 Canal diagram with a depth of 2 meters and a flow rate of 4.2 meters per second.

Figure 13 Canal diagram with a depth of 2 meters and a flow rate of 4.3 meters per second.
(a)
(b)
(c)
(d)
(a)
(b)
(c)
(d)Figure 14 Flow velocity profiles for canals with a depth of 3 m and flow velocities of 5–5.3 m/s. Canal with a depth of 2 meters and a flow rate of (a) 4 meters per second, (b) 4.1 meters per second, (c) 4.2 meters per second, and (d) 4.3 meters per second.

According to the velocity profiles of Figure 5, it can be seen that, with the increasing of Manning’s coefficient, the canal bed speed decreases.

According to Figure 10, we see that, with increasing Manning’s coefficient, the canal bed speed decreases.

According to Figure 15, with increasing Manning’s coefficient, the canal bed speed decreases.

Figure 15 Canal diagram with a depth of 3 meters and a flow rate of 5 meters per second.

Figure 16 Canal diagram with a depth of 3 meters and a flow rate of 5.1 meters per second.

Figure 17 Canal diagram with a depth of 3 meters and a flow rate of 5.2 meters per second.

Figure 18 Canal diagram with a depth of 3 meters and a flow rate of 5.3 meters per second.

According to Figure 19, it can be seen that the vegetation placed in front of the flow input velocity has negligible effect on the reduction of velocity, which of course can be justified due to the flexibility of the vegetation. The only unusual thing is the unexpected decrease in floor speed of 3 m/s compared to higher speeds.
(a)
(b)
(c)
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(c)Figure 19 Comparison of velocity profiles with the same plant densities (depth 1 m). Comparison of velocity profiles with (a) plant densities of 25%, depth 1 m; (b) plant densities of 50%, depth 1 m; and (c) plant densities of 75%, depth 1 m.

According to Figure 20, by increasing the speed of vegetation, the effect of vegetation on reducing the flow rate becomes more noticeable. And the role of input current does not have much effect in reducing speed.
(a)
(b)
(c)
(a)
(b)
(c)Figure 20 Comparison of velocity profiles with the same plant densities (depth 2 m). Comparison of velocity profiles with (a) plant densities of 25%, depth 2 m; (b) plant densities of 50%, depth 2 m; and (c) plant densities of 75%, depth 2 m.

3. Conclusion

Nomenclature

n:	Manning’s roughness coefficient
C:	Chézy roughness coefficient
f:	Darcy–Weisbach coefficient
V:	Flow velocity
R:	Hydraulic radius
g:	Gravitational acceleration
y:	Flow depth
Ks:	Bed roughness
A:	Constant coefficient
:	Reynolds number
∂y/∂x:	Depth of water change
S₀:	Slope of the canal floor
Sf:	Slope of energy line
Fr:	Froude number
D:	Characteristic length of the canal
G:	Mass acceleration
:	Shear stresses.

Data Availability

All data are included within the paper.

Conflicts of Interest

The authors declare that they have no conflicts of interest.

Acknowledgments

This work was partially supported by the National Natural Science Foundation of China under Contract no. 71761030 and Natural Science Foundation of Inner Mongolia under Contract no. 2019LH07003.

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Fig. 1. Schematic of (a) geometry of the simulation model, (b) A-A cross-section presenting the locations of point probes for recording temperature history (unit: µm).

Laser powder bed fusion of 17-4 PH stainless steel: a comparative study on the effect of heat treatment on the microstructure evolution and mechanical properties

17-4 PH 스테인리스강의 레이저 분말 베드 융합: 열처리가 미세조직의 진화 및 기계적 특성에 미치는 영향에 대한 비교 연구

panelS.Sabooni^a, A.Chabok^a, S.Feng^a,e, H.Blaauw^b, T.C.Pijper^b,c, H.J.Yangd, Y.T.Pei^a
^aDepartment of Advanced Production Engineering, Engineering and Technology Institute Groningen, University of Groningen, Nijenborgh 4, 9747 AG, Groningen, The Netherlands
^bPhilips Personal Care, Oliemolenstraat 5, 9203 ZN, Drachten, The Netherlands
^cInnovation Cluster Drachten, Nipkowlaan 5, 9207 JA, Drachten, The Netherlands
^dShi-changxu Innovation Center for Advanced Materials, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016, P. R. China
^eSchool of Mechanical Engineering, University of Science and Technology Beijing, Beijing, 100083, P.R. China

Abstract

17-4 PH (precipitation hardening) stainless steel is commonly used for the fabrication of complicated molds with conformal cooling channels using laser powder bed fusion process (L-PBF). However, their microstructure in the as-printed condition varies notably with the chemical composition of the feedstock powder, resulting in different age-hardening behavior. In the present investigation, 17-4 PH stainless steel components were fabricated by L-PBF from two different feedstock powders, and subsequently subjected to different combinations of post-process heat treatments. It was observed that the microstructure in as-printed conditions could be almost fully martensitic or ferritic, depending on the ratio of Cr_eq/Ni_eq of the feedstock powder. Aging treatment at 480 °C improved the yield and ultimate tensile strengths of the as-printed components. However, specimens with martensitic structures exhibited accelerated age-hardening response compared with the ferritic specimens due to the higher lattice distortion and dislocation accumulation, resulting in the “dislocation pipe diffusion mechanism”. It was also found that the martensitic structures were highly susceptible to the formation of reverted austenite during direct aging treatment, where 19.5% of austenite phase appeared in the microstructure after 15 h of direct aging. Higher fractions of reverted austenite activates the transformation induced plasticity and improves the ductility of heat treated specimens. The results of the present study can be used to tailor the microstructure of the L-PBF printed 17-4 PH stainless steel by post-process heat treatments to achieve a good combination of mechanical properties.

17-4 PH(석출 경화) 스테인리스강은 레이저 분말 베드 융합 공정(L-PBF)을 사용하여 등각 냉각 채널이 있는 복잡한 금형 제작에 일반적으로 사용됩니다. 그러나 인쇄된 상태의 미세 구조는 공급원료 분말의 화학적 조성에 따라 크게 달라지므로 시효 경화 거동이 다릅니다.

현재 조사에서 17-4 PH 스테인리스강 구성요소는 L-PBF에 의해 두 가지 다른 공급원료 분말로 제조되었으며, 이후에 다양한 조합의 후처리 열처리를 거쳤습니다. 인쇄된 상태의 미세구조는 공급원료 분말의 Creq/Nieq 비율에 따라 거의 완전히 마르텐사이트 또는 페라이트인 것으로 관찰되었습니다.

480 °C에서 노화 처리는 인쇄된 구성 요소의 수율과 극한 인장 강도를 개선했습니다. 그러나 마텐자이트 구조의 시편은 격자 변형 및 전위 축적이 높아 페라이트 시편에 비해 시효 경화 반응이 가속화되어 “전위 파이프 확산 메커니즘”이 발생합니다.

또한 마르텐사이트 구조는 직접 시효 처리 중에 복귀된 오스테나이트의 형성에 매우 민감한 것으로 밝혀졌으며, 여기서 15시간의 직접 시효 후 미세 조직에 19.5%의 오스테나이트 상이 나타났습니다.

복귀된 오스테나이트의 비율이 높을수록 변형 유도 가소성이 활성화되고 열처리된 시편의 연성이 향상됩니다. 본 연구의 결과는 기계적 특성의 우수한 조합을 달성하기 위해 후처리 열처리를 통해 L-PBF로 인쇄된 17-4 PH 스테인리스강의 미세 구조를 조정하는 데 사용할 수 있습니다.

Keywords

Laser powder bed fusion17-4 PH stainless steelPost-process heat treatmentAge hardeningReverted austenite

Fig. 2. Optical (a, b) and TEM (c) micrographs of the wrought 17-4 PH stainless steel.

Fig. 3. EBSD micrographs of the as-printed 17-4 PH steel fabricated with “powder A” (a, b) and “powder B” (c, d) on two different cross sections: (a, c) perpendicular to the building direction, and (b, d) parallel to the building direction.

Fig. 4. Microstructure of the as-printed 17-4 PH stainless steel fabricated with “powder A” (a) and “powder B” (b).

Fig. 5. Simulated temperature history of the probes located at the cross section of the L-PBF 17-4 PH steel sample.

Fig. 6. Dependency of the volume fraction of delta ferrite in the final microstructure of L-PBF printed 17-4 PH steel as a function of Creq/Nieq.

Fig. 7. IQ + IPF (left column), parent austenite grain maps (middle column) and phase maps (right column, green color = martensite, red color = austenite) of the post-process heat treated 17-4 PH stainless steel: (a-c) direct aged, (d-f) HIP + aging, (g-i) SA + Aging, and (j-l) HIP + SA + aging (all sample were printed with “powder A”).

Fig. 8. TEM micrographs of the post process heat treated 17-4 PH stainless steel: (a) direct aging and (b) HIP + aging (printed with “powder A”).

Fig. 9. XRD patterns of the post-process heat treated 17-4 PH stainless steel printed with “powder A”.

Fig. 10. (a) Volume fraction of reverted austenite as a function of aging time for “direct aging” condition, (b) phase map (green color = martensite, red color = austenite) of the 15 h direct aged specimen printed with “powder A”.

Fig. 11. Microhardness variations of the “direct aged” specimens as a function of aging time at 480 °C.

Fig. 12. Kernel average misorientation graphs of the as-printed 17-4 PH steel with (a) martensitic structure (printed with “powder A”) and (b) ferritic structure (printed with “powder b”).

Fig. 13. Typical stress-strain curves (a) along with the yield and ultimate tensile strengths (b) and elongation (c) of the as-printed and post-process heat treated 17-4 PH stainless steel (all sample are fabricated with “powder A”).

Fig. 14. (a) IQ + IPF and (b) phase map (green color = martensite, red color = austenite) of the “direct aged” specimen after tensile test at a location nearby the rupture point (tension direction from left to right).

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electromagnetic metal casting computation designs Fig1

A survey of electromagnetic metal casting computation designs, present approaches, future possibilities, and practical issues

The European Physical Journal Plus volume 136, Article number: 704 (2021) Cite this article

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Abstract

Electromagnetic metal casting (EMC) is a casting technique that uses electromagnetic energy to heat metal powders. It is a faster, cleaner, and less time-consuming operation. Solid metals create issues in electromagnetics since they reflect the electromagnetic radiation rather than consume it—electromagnetic energy processing results in sounded pieces with higher-ranking material properties and a more excellent microstructure solution. For the physical production of the electromagnetic casting process, knowledge of electromagnetic material interaction is critical. Even where the heated material is an excellent electromagnetic absorber, the total heating quality is sometimes insufficient. Numerical modelling works on finding the proper coupled effects between properties to bring out the most effective operation. The main parameters influencing the quality of output of the EMC process are: power dissipated per unit volume into the material, penetration depth of electromagnetics, complex magnetic permeability and complex dielectric permittivity. The contact mechanism and interference pattern also, in turn, determines the quality of the process. Only a few parameters, such as the environment’s temperature, the interference pattern, and the rate of metal solidification, can be controlled by AI models. Neural networks are used to achieve exact outcomes by stimulating the neurons in the human brain. Additive manufacturing (AM) is used to design mold and cores for metal casting. The models outperformed the traditional DFA optimization approach, which is susceptible to local minima. The system works only offline, so real-time analysis and corrections are not yet possible.

Korea Abstract

전자기 금속 주조 (EMC)는 전자기 에너지를 사용하여 금속 분말을 가열하는 주조 기술입니다. 더 빠르고 깨끗하며 시간이 덜 소요되는 작업입니다.

고체 금속은 전자기 복사를 소비하는 대신 반사하기 때문에 전자기학에서 문제를 일으킵니다. 전자기 에너지 처리는 더 높은 등급의 재료 특성과 더 우수한 미세 구조 솔루션을 가진 사운드 조각을 만듭니다.

전자기 주조 공정의 물리적 생산을 위해서는 전자기 물질 상호 작용에 대한 지식이 중요합니다. 가열된 물질이 우수한 전자기 흡수재인 경우에도 전체 가열 품질이 때때로 불충분합니다. 수치 모델링은 가장 효과적인 작업을 이끌어 내기 위해 속성 간의 적절한 결합 효과를 찾는데 사용됩니다.

EMC 공정의 출력 품질에 영향을 미치는 주요 매개 변수는 단위 부피당 재료로 분산되는 전력, 전자기의 침투 깊이, 복합 자기 투과성 및 복합 유전율입니다. 접촉 메커니즘과 간섭 패턴 또한 공정의 품질을 결정합니다. 환경 온도, 간섭 패턴 및 금속 응고 속도와 같은 몇 가지 매개 변수 만 AI 모델로 제어 할 수 있습니다.

신경망은 인간 뇌의 뉴런을 자극하여 정확한 결과를 얻기 위해 사용됩니다. 적층 제조 (AM)는 금속 주조용 몰드 및 코어를 설계하는 데 사용됩니다. 모델은 로컬 최소값에 영향을 받기 쉬운 기존 DFA 최적화 접근 방식을 능가했습니다. 이 시스템은 오프라인에서만 작동하므로 실시간 분석 및 수정은 아직 불가능합니다.

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Fig.1 Schematic diagram of the novel cytometric device

Fabrication and Experimental Investigation of a Novel 3D Hydrodynamic Focusing Micro Cytometric Device

Yongquan Wang*^a , Jingyuan Wang^b, Hualing Chen^c

School of Mechanical Engineering, Xi’an Jiaotong University, Xi’an, Shaanxi, 710049, P. R. China
^ayqwang@mail.xjtu.edu.cn,, ^bwjy2006@stu.xjtu.edu.cn,, ^chlchen@mail.xjtu.edu.cn,

Abstract:

This paper presents the fabrication of a novel micro-machined cytometric device, and the experimental investigations for its 3D hydrodynamic focusing performance. The proposed device is simple in structure, with the uniqueness that the depth of its microchannels is non-uniform. Using the SU-8 soft lithography containing two exposures, as well as micro-molding techniques, the PDMS device is successfully fabricated. Two kinds of experiments, i.e., the red ink fluidity observation experiments and the fluorescent optical experiments, are then performed for the device prototypes with different step heights, or channel depth differences, to explore the influence laws of the feature parameter on the devices hydrodynamic focusing behaviors. The experimental results show that the introducing of the steps can efficiently enhance the vertical focusing performance of the device. At appropriate geometry and operating conditions, good 3D hydrodynamic focusing can be obtained.

Korea Abstract

이 논문은 새로운 마이크로 머신 세포 측정 장치의 제조와 3D 유체 역학적 초점 성능에 대한 실험적 조사를 제시합니다. 제안 된 장치는 구조가 단순하며, 마이크로 채널의 깊이가 균일하지 않다는 독특함이 있습니다. 두 가지 노출이 포함 된 SU-8 소프트 리소그래피와 마이크로 몰딩 기술을 사용하여 PDMS 장치가 성공적으로 제작되었습니다. 그런 다음 두 종류의 실험, 즉 적색 잉크 유동성 관찰 실험과 형광 광학 실험을 단계 높이 또는 채널 깊이 차이가 다른 장치 프로토 타입에 대해 수행하여 장치 유체 역학적 초점에 대한 기능 매개 변수의 영향 법칙을 탐색합니다. 행동. 실험 결과는 단계의 도입이 장치의 수직 초점 성능을 효율적으로 향상시킬 수 있음을 보여줍니다. 적절한 형상과 작동 조건에서 우수한 3D 유체 역학적 초점을 얻을 수 있습니다.

Keywords

Flow cytometer, Hydrodynamic focusing, Three-dimensional (3D), Micro-machined

Fig.2 Overview of the cytometric device fabrication process

Fig.3 The fabricated micro cytometric device Fig.4 Experiment setup for focusing performance — Fig.3 The fabricated micro cytometric device Fig. 4 Experiment setup for focusing performance

Fig.5 Horizontal focusing images of two devices with and without steps

Fig.6 Channel cross-section fluorescence images for different step heights

References

Fig.7 Effect of the step height on the 3D focusing at different velocity ratios

Conclusions

In this paper, we presented a novel micro-machined cytometric device and its fabrication process,
emphasizing on the experimental investigations for its 3D hydrodynamic focusing performance. The
proposed device is simple in structure, low cost, and easy to be batch produced. Besides this, as a
device based on standard micro-fabrication methodology, it can be conveniently integrated with other
micro-fluidic and/or micro-optical units to form a complete detection and analysis system.
The experimental tests for the prototype devices not only verified the design conception, but also
gave us a comprehensive understanding of the device hydro-focusing performance. The experimental
results show that, as the uniqueness of this design, the introducing of the feature steps can
significantly enhance the vertical focusing performance of the devices, which is crucial for the
achievement of 3D focusing. In summary, for the proposed novel device, good 3D hydrodynamic
focusing can be attained at appropriate geometry and operating conditions.
In addition, an improved design can be obtained by replacing the flat cover with an identical
device unit, in other words, the same two device units are bonded together (The channels are inward
and aligned) to form a new device. Then the sample stream can focused to the center of the assembly
outlet channel due to the hydrodynamic forces equally in both horizontal and vertical directions, and
thus avoiding the adsorption or friction issues of cells/particles to the top channel wall.

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Full Text View

Figure 6. Evolution of melt pool in the overhang region (θ = 45°, P = 100 W, v = 1000 mm/s, the streamlines are shown by arrows).

Experimental and numerical investigation of the origin of surface roughness in laser powder bed fused overhang regions

레이저 파우더 베드 융합 오버행 영역에서 표면 거칠기의 원인에 대한 실험 및 수치 조사

Shaochuan Feng ,Amar M. Kamat ,Soheil Sabooni &Yutao Pei Pages S66-S84 | Received 18 Jan 2021, Accepted 25 Feb 2021, Published online: 10 Mar 2021

ABSTRACT

Surface roughness of laser powder bed fusion (L-PBF) printed overhang regions is a major contributor to deteriorated shape accuracy/surface quality. This study investigates the mechanisms behind the evolution of surface roughness (R_a) in overhang regions. The evolution of surface morphology is the result of a combination of border track contour, powder adhesion, warp deformation, and dross formation, which is strongly related to the overhang angle (θ). When 0° ≤ θ ≤ 15°, the overhang angle does not affect R_a significantly since only a small area of the melt pool boundaries contacts the powder bed resulting in slight powder adhesion. When 15° < θ ≤ 50°, powder adhesion is enhanced by the melt pool sinking and the increased contact area between the melt pool boundary and powder bed. When θ > 50°, large waviness of the overhang contour, adhesion of powder clusters, severe warp deformation and dross formation increase R_a sharply.

레이저 파우더 베드 퓨전 (L-PBF) 프린팅 오버행 영역의 표면 거칠기는 형상 정확도 / 표면 품질 저하의 주요 원인입니다. 이 연구 는 오버행 영역에서 표면 거칠기 (R_a ) 의 진화 뒤에 있는 메커니즘을 조사합니다 . 표면 형태의 진화는 오버행 각도 ( θ ) 와 밀접한 관련이있는 경계 트랙 윤곽, 분말 접착, 뒤틀림 변형 및 드로스 형성의 조합의 결과입니다 . 0° ≤ θ ≤ 15° 인 경우 , 용융풀 경계의 작은 영역 만 분말 베드와 접촉하여 약간의 분말 접착이 발생하기 때문에 오버행 각도가 R _a에 큰 영향을 주지 않습니다 . 15° < θ 일 때 ≤ 50°, 용융 풀 싱킹 및 용융 풀 경계와 분말 베드 사이의 증가된 접촉 면적으로 분말 접착력이 향상됩니다. θ > 50° 일 때 오버행 윤곽의 큰 파형, 분말 클러스터의 접착, 심한 휨 변형 및 드 로스 형성이 R_a 급격히 증가 합니다.

KEYWORDS: Laser powder bed fusion (L-PBF), melt pool dynamics, overhang region, shape deviation, surface roughness

1. Introduction

레이저 분말 베드 융합 (L-PBF)은 첨단 적층 제조 (AM) 기술로, 집중된 레이저 빔을 사용하여 금속 분말을 선택적으로 융합하여 슬라이스 된 3D 컴퓨터 지원에 따라 층별로 3 차원 (3D) 금속 부품을 구축합니다. 설계 (CAD) 모델 (Chatham, Long 및 Williams 2019 ; Tan, Zhu 및 Zhou 2020 ). 재료가 인쇄 층 아래에 존재하는지 여부에 따라 인쇄 영역은 각각 솔리드 영역 또는 돌출 영역으로 분류 될 수 있습니다. 따라서 오버행 영역은 고체 기판이 아니라 분말 베드 바로 위에 건설되는 특수 구조입니다 (Patterson, Messimer 및 Farrington 2017). 오버행 영역은지지 구조를 포함하거나 포함하지 않고 구축 할 수 있으며, 지지대가있는 돌출 영역의 L-PBF는 지지체가 더 낮은 밀도로 구축된다는 점을 제외 하고 (Wang and Chou 2018 ) 고체 기판의 공정과 유사합니다 (따라서 기계적 강도가 낮기 때문에 L-PBF 공정 후 기계적으로 쉽게 제거 할 수 있습니다. 따라서지지 구조로 인쇄 된 오버행 영역은 L-PBF 공정 후 지지물 제거, 연삭 및 연마와 같은 추가 후 처리 단계가 필요합니다.

수평 내부 채널의 제작과 같은 일부 특정 경우에는 공정 후 지지대를 제거하기가 어려우므로 채널 상단 절반의 돌출부 영역을 지지대없이 건설해야합니다 (Hopkinson and Dickens 2000 ). 수평 내부 채널에 사용할 수없는지지 구조 외에도 내부 표면, 특히 등각 냉각 채널 (Feng, Kamat 및 Pei 2021 ) 에서 발생하는 복잡한 3D 채널 네트워크의 경우 표면 마감 프로세스를 구현하는 것도 어렵습니다 . 결과적으로 오버행 영역은 (i) 잔류 응력에 의한 변형, (ii) 계단 효과 (Kuo et al. 2020 ; Li et al. 2020 )로 인해 설계된 모양에서 벗어날 수 있습니다 .) 및 (iii) 원하지 않는 분말 소결로 인한 향상된 표면 거칠기; 여기서, 앞의 두 요소는 일반적으로 mm 길이 스케일에서 ‘매크로’편차로 분류되고 후자는 일반적으로 µm 길이 스케일에서 ‘마이크로’편차로 인식됩니다.

열 응력에 의한 변형은 오버행 영역에서 발생하는 중요한 문제입니다 (Patterson, Messimer 및 Farrington 2017 ). 국부적 인 용융 / 냉각은 용융 풀 내부 및 주변에서 큰 온도 구배를 유도하여 응고 된 층에 집중적 인 열 응력을 유발합니다. 열 응력에 의한 뒤틀림은 고체 영역을 현저하게 변형하지 않습니다. 이러한 영역은 아래의 여러 레이어에 의해 제한되기 때문입니다. 반면에 오버행 영역은 구속되지 않고 공정 중 응력 완화로 인해 상당한 변형이 발생합니다 (Kamat 및 Pei 2019 ). 더욱이 용융 깊이는 레이어 두께보다 큽니다 (이전 레이어도 재용 해되어 빌드 된 레이어간에 충분한 결합을 보장하기 때문입니다 [Yadroitsev et al. 2013 ; Kamath et al.2014 ]),응고 된 두께가 설계된 두께보다 크기 때문에형태 편차 (예 : 드 로스 [Charles et al. 2020 ; Feng et al. 2020 ])가 발생합니다. 마이크로 스케일에서 인쇄 된 표면 (R_a 및 S_a ∼ 10 μm)은 기계적으로 가공 된 표면보다 거칠다 (Duval-Chaneac et al. 2018 ; Wen et al. 2018 ). 이 문제는고형화 된 용융 풀의 가장자리에 부착 된 용융되지 않은 분말의 결과로 표면 거칠기 (R_a )가 일반적으로 약 20 μm인 오버행 영역에서 특히 심각합니다 (Mazur et al. 2016 ; Pakkanen et al. 2016 ).

오버행 각도 ( θ , 빌드 방향과 관련하여 측정)는 오버행 영역의 뒤틀림 편향과 표면 거칠기에 영향을 미치는 중요한 매개 변수입니다 (Kamat and Pei 2019 ; Mingear et al. 2019 ). θ ∼ 45 ° 의 오버행 각도 는 일반적으로지지 구조없이 오버행 영역을 인쇄 할 수있는 임계 값으로 합의됩니다 (Pakkanen et al. 2016 ; Kadirgama et al. 2018 ). θ 일 때이 임계 값보다 크면 오버행 영역을 허용 가능한 표면 품질로 인쇄 할 수 없습니다. 오버행 각도 외에도 레이저 매개 변수 (레이저 에너지 밀도와 관련된)는 용융 풀의 모양 / 크기 및 용융 풀 역학에 영향을줌으로써 오버행 영역의 표면 거칠기에 영향을줍니다 (Wang et al. 2013 ; Mingear et al . 2019 ).

용융 풀 역학은 고체 (Shrestha 및 Chou 2018 ) 및 오버행 (Le et al. 2020 ) 영역 모두에서 수행되는 L-PBF 공정을 포함한 레이저 재료 가공의 일반적인 물리적 현상입니다 . 용융 풀 모양, 크기 및 냉각 속도는 잔류 응력으로 인한 변형과 표면 거칠기에 모두 영향을 미치므로 처리 매개 변수와 표면 형태 / 품질 사이의 다리 역할을하며 용융 풀을 이해하기 위해 수치 시뮬레이션을 사용하여 추가 조사를 수행 할 수 있습니다. 거동과 표면 거칠기에 미치는 영향. 현재까지 고체 영역의 L-PBF 동안 용융 풀 동작을 시뮬레이션하기 위해 여러 연구가 수행되었습니다. 유한 요소 방법 (FEM)과 같은 시뮬레이션 기술 (Roberts et al. 2009 ; Du et al.2019 ), 유한 차분 법 (FDM) (Wu et al. 2018 ), 전산 유체 역학 (CFD) (Lee and Zhang 2016 ), 임의의 Lagrangian-Eulerian 방법 (ALE) (Khairallah and Anderson 2014 )을 사용하여 증발 반동 압력 (Hu et al. 2018 ) 및 Marangoni 대류 (Zhang et al. 2018 ) 현상을포함하는 열 전달 (온도 장) 및 물질 전달 (용융 흐름) 프로세스. 또한 이산 요소법 (DEM)을 사용하여 무작위 분산 분말 베드를 생성했습니다 (Lee and Zhang 2016 ; Wu et al. 2018 ). 이 모델은 분말 규모의 L-PBF 공정을 시뮬레이션했습니다 (Khairallah et al. 2016) 메조 스케일 (Khairallah 및 Anderson 2014 ), 단일 트랙 (Leitz et al. 2017 )에서 다중 트랙 (Foroozmehr et al. 2016 ) 및 다중 레이어 (Huang, Khamesee 및 Toyserkani 2019 )로.

그러나 결과적인 표면 거칠기를 결정하는 오버행 영역의 용융 풀 역학은 문헌에서 거의 관심을받지 못했습니다. 솔리드 영역의 L-PBF에 대한 기존 시뮬레이션 모델이 어느 정도 참조가 될 수 있지만 오버행 영역과 솔리드 영역 간의 용융 풀 역학에는 상당한 차이가 있습니다. 오버행 영역에서 용융 금속은 분말 입자 사이의 틈새로 아래로 흘러 용융 풀이 다공성 분말 베드가 제공하는 약한 지지체 아래로 가라 앉습니다. 이것은 중력과 표면 장력의 영향이 용융 풀의 결과적인 모양 / 크기를 결정하는 데 중요하며, 결과적으로 오버행 영역의 마이크로 스케일 형태의 진화에 중요합니다. 또한 분말 입자 사이의 공극, 열 조건 (예 : 에너지 흡수,2019 ; Karimi et al. 2020 ; 노래와 영 2020 ). 표면 거칠기는 (마이크로) 형상 편차를 증가시킬뿐만 아니라 주기적 하중 동안 미세 균열의 시작 지점 역할을함으로써 기계적 강도를 저하시킵니다 (Günther et al. 2018 ). 오버행 영역의 높은 표면 거칠기는 (마이크로) 정확도 / 품질에 대한 엄격한 요구 사항이있는 부품 제조에서 L-PBF의 적용을 제한합니다.

본 연구는 실험 및 시뮬레이션 연구를 사용하여 오버행 영역 (지지물없이 제작)의 미세 형상 편차 형성 메커니즘과 표면 거칠기의 기원을 체계적이고 포괄적으로 조사합니다. 결합 된 DEM-CFD 시뮬레이션 모델은 경계 트랙 윤곽, 분말 접착 및 뒤틀림 변형의 효과를 고려하여 오버행 영역의 용융 풀 역학과 표면 형태의 형성 메커니즘을 나타 내기 위해 개발되었습니다. 표면 거칠기 R의 시뮬레이션 및 단일 요인 L-PBF 인쇄 실험을 사용하여 오버행 각도의 함수로 연구됩니다. 용융 풀의 침몰과 관련된 오버행 영역에서 분말 접착의 세 가지 메커니즘이 식별되고 자세히 설명됩니다. 마지막으로, 인쇄 된 오버행 영역에서 높은 표면 거칠기 문제를 완화 할 수 있는 잠재적 솔루션에 대해 간략하게 설명합니다.

The shape and size of the L-PBF printed samples are illustrated in Figure 1

Figure 2. Borders in the overhang region depending on the overhang angle θ

Figure 3. (a) Profile of the volumetric heat source, (b) the model geometry of single-track printing on a solid substrate (unit: µm), and (c) the comparison of melt pool dimensions obtained from the experiment (right half) and simulation (left half) for a calibrated optical penetration depth of 110 µm (laser power 200 W and scan speed 800 mm/s, solidified layer thickness 30 µm, powder size 10–45 µm).

Figure 4. The model geometry of an overhang being L-PBF processed: (a) 3D view and (b) right view.

Figure 5. The cross-sectional contour of border tracks in a 45° overhang region.

Figure 7. The overhang contour is contributed by (a) only outer borders when θ ≤ 60° (b) both inner borders and outer borders when θ > 60°.

Figure 8. Schematic of powder adhesion on a 45° overhang region.

Figure 9. The L-PBF printed samples with various overhang angle (a) θ = 0° (cube), (b) θ = 30°, (c) θ = 45°, (d) θ = 55° and (e) θ = 60°.

Figure 10. Two mechanisms of powder adhesion related to the overhang angle: (a) simulation-predicted, θ = 45°; (b) simulation-predicted, θ = 60°; (c, e) optical micrographs, θ = 45°; (d, f) optical micrographs, θ = 60°. (e) and (f) are partial enlargement of (c) and (d), respectively.

Figure 11. Simulation-predicted surface morphology in the overhang region at different overhang angle: (a) θ = 15°, (b) θ = 30°, (c) θ = 45°, (d) θ = 60° and (e) θ = 80° (Blue solid lines: simulation-predicted contour; red dashed lines: the planar profile of designed overhang region specified by the overhang angles).

Figure 12. Effect of overhang angle on surface roughness Ra in overhang regions

Figure 13. Surface morphology of L-PBF printed overhang regions with different overhang angle: (a) θ = 15°, (b) θ = 30°, (c) θ = 45° and (d) θ = 60° (overhang border parameters: P = 100 W, v = 1000 mm/s).

Figure 14. Effect of (a) laser power (scan speed = 1000 mm/s) and (b) scan speed (lase power = 100 W) on surface roughness Ra in overhang regions (θ = 45°, laser power and scan speed referred to overhang border parameters, and the other process parameters are listed in Table 2).

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Figure 1. (a) Top view of the microfluidic-magnetophoretic device, (b) Schematic representation of the channel cross-sections studied in this work, and (c) the magnet position relative to the channel location (Sepy and Sepz are the magnet separation distances in y and z, respectively).

Continuous-Flow Separation of Magnetic Particles from Biofluids: How Does the Microdevice Geometry Determine the Separation Performance?

Cristina González Fernández¹, Jenifer Gómez Pastora², Arantza Basauri¹, Marcos Fallanza¹, Eugenio Bringas¹, Jeffrey J. Chalmers² and Inmaculada Ortiz1,*

¹Department of Chemical and Biomolecular Engineering, ETSIIT, University of Cantabria, Avda. Los Castros s/n, 39005 Santander, Spain

²William G. Lowrie Department of Chemical and Biomolecular Engineering, The Ohio State University, 151 W. Woodruff Ave., Columbus, OH 43210, USA
*Author to whom correspondence should be addressed.

Sensors 2020, 20(11), 3030; https://doi.org/10.3390/s20113030

Received: 16 April 2020 / Revised: 21 May 2020 / Accepted: 25 May 2020 / Published: 27 May 2020

(This article belongs to the Special Issue Lab-on-a-Chip and Microfluidic Sensors)

Abstract

The use of functionalized magnetic particles for the detection or separation of multiple chemicals and biomolecules from biofluids continues to attract significant attention. After their incubation with the targeted substances, the beads can be magnetically recovered to perform analysis or diagnostic tests. Particle recovery with permanent magnets in continuous-flow microdevices has gathered great attention in the last decade due to the multiple advantages of microfluidics. As such, great efforts have been made to determine the magnetic and fluidic conditions for achieving complete particle capture; however, less attention has been paid to the effect of the channel geometry on the system performance, although it is key for designing systems that simultaneously provide high particle recovery and flow rates. Herein, we address the optimization of Y-Y-shaped microchannels, where magnetic beads are separated from blood and collected into a buffer stream by applying an external magnetic field. The influence of several geometrical features (namely cross section shape, thickness, length, and volume) on both bead recovery and system throughput is studied. For that purpose, we employ an experimentally validated Computational Fluid Dynamics (CFD) numerical model that considers the dominant forces acting on the beads during separation. Our results indicate that rectangular, long devices display the best performance as they deliver high particle recovery and high throughput. Thus, this methodology could be applied to the rational design of lab-on-a-chip devices for any magnetically driven purification, enrichment or isolation.

Keywords: particle magnetophoresis; CFD; cross section; chip fabrication

Korea Abstract

생체 유체에서 여러 화학 물질과 생체 분자의 검출 또는 분리를위한 기능화 된 자성 입자의 사용은 계속해서 상당한 관심을 받고 있습니다. 표적 물질과 함께 배양 한 후 비드를 자기 적으로 회수하여 분석 또는 진단 테스트를 수행 할 수 있습니다. 연속 흐름 마이크로 장치에서 영구 자석을 사용한 입자 회수는 마이크로 유체의 여러 장점으로 인해 지난 10 년 동안 큰 관심을 모았습니다.

따라서 완전한 입자 포획을 달성하기 위한 자기 및 유체 조건을 결정하기 위해 많은 노력을 기울였습니다. 그러나 높은 입자 회수율과 유속을 동시에 제공하는 시스템을 설계하는 데있어 핵심이기는 하지만 시스템 성능에 대한 채널 형상의 영향에 대해서는 덜주의를 기울였습니다.

여기에서 우리는 자기 비드가 혈액에서 분리되고 외부 자기장을 적용하여 버퍼 스트림으로 수집되는 YY 모양의 마이크로 채널의 최적화를 다룹니다. 비드 회수 및 시스템 처리량에 대한 여러 기하학적 특징 (즉, 단면 형상, 두께, 길이 및 부피)의 영향을 연구합니다.

이를 위해 분리 중에 비드에 작용하는 지배적인 힘을 고려하는 실험적으로 검증 된 CFD (Computational Fluid Dynamics) 수치 모델을 사용합니다. 우리의 결과는 직사각형의 긴 장치가 높은 입자 회수율과 높은 처리량을 제공하기 때문에 최고의 성능을 보여줍니다.

따라서 이 방법론은 자기 구동 정제, 농축 또는 분리를 위한 랩온어 칩 장치의 합리적인 설계에 적용될 수 있습니다.

Figure 2. (a) Channel-magnet configuration and (b–d) magnetic force distribution in the channel midplane for 2 mm, 5 mm and 10 mm long rectangular (left) and U-shaped (right) devices.

Figure 3. (a) Velocity distribution in a section perpendicular to the flow for rectangular (left) and U-shaped (right) cross section channels, and (b) particle location in these cross sections.

Figure 4. Influence of fluid flow rate on particle recovery when the applied magnetic force is (a) different and (b) equal in U-shaped and rectangular cross section microdevices.

Figure 5. Magnetic bead capture as a function of fluid flow rate for all of the studied geometries.

Figure 6. Influence of (a) magnetic and fluidic forces (J parameter) and (b) channel geometry (θ parameter) on particle recovery. Note that U-2mm does not accurately fit a line.

Figure 7. Dependence of bead capture on the (a) functional channel volume and (b) particle residence time (tres). Note that in the curve fitting expressions V represents the functional channel volume and that U-2mm does not accurately fit a line.

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$Fluid velocity magnitude including velocity vectors and blood volumetric fraction contours for scenario 3: (a,b) Magnet distance d = 0; (c,d) Magnet distance d = 1 mm.$

Numerical Analysis of Bead Magnetophoresis from Flowing Blood in a Continuous-Flow Microchannel: Implications to the Bead-Fluid Interactions

Scientific Reports volume 9, Article number: 7265 (2019) Cite this article

Abstract

이 연구에서는 비드 운동과 유체 흐름에 미치는 영향에 대한 자세한 분석을 제공하기 위해 연속 흐름 마이크로 채널 내부의 비드 자기 영동에 대한 수치 흐름 중심 연구를 보고합니다.

수치 모델은 Lagrangian 접근 방식을 포함하며 영구 자석에 의해 생성 된 자기장의 적용에 의해 혈액에서 비드 분리 및 유동 버퍼로의 수집을 예측합니다.

다음 시나리오가 모델링됩니다. (i) 운동량이 유체에서 점 입자로 처리되는 비드로 전달되는 단방향 커플 링, (ii) 비드가 점 입자로 처리되고 운동량이 다음으로부터 전달되는 양방향 결합 비드를 유체로 또는 그 반대로, (iii) 유체 변위에서 비드 체적의 영향을 고려한 양방향 커플 링.

결과는 세 가지 시나리오에서 비드 궤적에 약간의 차이가 있지만 특히 높은 자기력이 비드에 적용될 때 유동장에 상당한 변화가 있음을 나타냅니다.

따라서 높은 자기력을 사용할 때 비드 운동과 유동장의 체적 효과를 고려한 정확한 전체 유동 중심 모델을 해결해야 합니다. 그럼에도 불구하고 비드가 중간 또는 낮은 자기력을 받을 때 계산적으로 저렴한 모델을 안전하게 사용하여 자기 영동을 모델링 할 수 있습니다.

Sketch of the magnetophoresis process in the continuous-flow microdevice.

Schematic view of the microdevice showing the working conditions set in the simulations.

Bead trajectories for different magnetic field conditions, magnet placed at different distances “d” from the channel: (a) d = 0; (b) d = 1 mm; (c) d = 1.5 mm; (d) d = 2 mm

Separation efficacy as a function of the magnet distance. Comparison between one-way and two-way coupling.

(a) Fluid velocity magnitude including velocity vectors and (b) blood volumetric fraction contours with magnet distance d = 0 mm for scenario 1 (t = 0.25 s).

luid velocity magnitude including velocity vectors and blood volumetric fraction contours for scenario 2: (a,b) Magnet distance d = 0 mm at t = 0.4 s; (c,d) Magnet distance d = 1 mm at t = 0.4 s.

Fluid velocity magnitude including velocity vectors and blood volumetric fraction contours for scenario 3: (a,b) Magnet distance d = 0; (c,d) Magnet distance d = 1 mm.

Blood volumetric fraction contours. Scenario 1: (a) Magnet distance d = 0 and (b) Magnet distance d = 1 mm; Scenario 2: (c) Magnet distance d = 0 and (d) Magnet distance d = 1 mm; and Scenario 3: (e) Magnet distance d = 0 and (f) Magnet distance d = 1 mm.

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Author information

Edward P. Furlani is deceased.

Affiliations

Department of Chemical and Biomolecular Engineering, ETSIIT, University of Cantabria, Avda. Los Castros s/n, 39005, Santander, SpainJenifer Gómez-Pastora, Eugenio Bringas & Inmaculada Ortiz
Flow Science, Inc, Santa Fe, New Mexico, 87505, USAIoannis H. Karampelas
Department of Chemical and Biological Engineering, University at Buffalo (SUNY), Buffalo, New York, 14260, USAEdward P. Furlani
Department of Electrical Engineering, University at Buffalo (SUNY), Buffalo, New York, 14260, USAEdward P. Furlani

Xiang Wang Lin-Jie Zhang Jie Ning Sen Li Liang-Liang Zhang Jian Long

Figure 1. Cross-sectional dimensions of a V-groove channel

Modeling Open Surface Microfluidics

개방형 표면 미세 유체 모델링

Open surface microfluidic systems are becoming increasingly popular in the fields of biology, biotechnology, medicine, point-of-care (POC) and home care systems. The design of such systems usually involves fluid being transported by capillary forces. Capillarity can enhance fluid transport for small volumes of fluid and can provide a reliable alternative to micro-scale pumping mechanisms. Advantages of capillary systems include:

Low cost due to easy and fast fabrication
User friendliness due to the simplicity of their design
Increased portability ensured by the capillary actuation of fluids
Enhanced accessibility caused by the open-surface nature of their design
Complete elimination of air bubbles guaranteed by the uniformly moving fluid front

For these reasons, open capillary systems are the preferred design option for various POC systems.

개방형 표면 미세 유체 시스템은 생물학, 생명 공학, 의학, POC (Point-of-Care) 및 홈 케어 시스템 분야에서 점점 인기를 얻고 있습니다. 이러한 시스템의 설계에는 일반적으로 모세관 힘에 의해 유체가 운반됩니다. 모세관은 소량의 유체에 대한 유체 수송을 향상시킬 수 있으며 마이크로 규모 펌핑 메커니즘에 대한 신뢰할 수있는 대안을 제공 할 수 있습니다. 모세관 시스템의 장점은 다음과 같습니다.

쉽고 빠른 제작으로 인한 저렴한 비용
디자인의 단순성으로 인한 사용자 편의성
유체의 모세관 작동으로 인한 휴대 성 향상
디자인의 개방형 특성으로 인한 접근성 향상
균일하게 움직이는 유체 전면으로 보장되는 기포의 완전한 제거

이러한 이유로 개방형 모세관 시스템은 다양한 POC 시스템에서 선호되는 설계 옵션입니다.

모세관 흐름의 시작 조건

V 홈 치수 — 그림 1. V 홈 채널의 단면 치수 : W = 150 μm, h1 = 300 μm, h2 = 1200 μm, α = 14.5ο.

University at Buffalo와 University of Grenoble의 연구원들의 최근 논문에서 마이크로 그루브가 잠재적으로 모세관 효과를 향상시킬 수있는 방법을 보여주었습니다 [1]. 이 논문의 결과를 바탕으로, FLOW-3D를 사용하여 평행 한 플레이트로 대체 된 좁은 V- 홈 마이크로 채널 내부 유체의 자발적 모세관 흐름 (SCF)에 대한 사례 연구를 논의 할 것 입니다. 모세관 흐름의 시작에 대한 특정 조건이 충족되면 혈류를 모니터링하기위한 POC 시스템의 설계를 위해 전혈과 같은 점성 유체를 사용해도 큰 유체 속도를 얻을 수 있습니다.

모세관 흐름의 조건은 Gibbs 자유 에너지의 최소화를 기반으로 한 정적 접근 방식을 사용하여 이론적으로 설정할 수 있습니다. 보다 구체적으로, 입구 압력이 0 일 때 모세관 흐름이 시작되는 조건은 다음과 같습니다.

(수식 1) pF/pW < cos⁡ θ

여기서 θ 는 영 접촉각이고 p _F 및 p _W 는 각각 유동의 임의 단면에서 자유 및 습식 둘레입니다. 그림 1에 표시된 것과 같은 반각 α 를 갖는 V- 홈 마이크로 채널의 경우 몇 가지 수학적 조작 후 eq. 1은 다음과 같이 다시 작성할 수 있습니다.

(수식 2) sin α = cos⁡ θ

우리의 경우 α ≈ 14.5 ^ο 가 있으므로 모세관 흐름의 조건은 θ <75.5 ^o 입니다.

FLOW-3D 에서 시뮬레이션

정적 접근 방식이 SCF의 시작에 관한 중요한 정보를 제공하지만 수치 접근 방식은 현장 진료 장치에서 유동 역학을 연구하는 데 더 적합합니다. 접촉각이 37 ^° 이고 전혈의 유체 특성 을 갖는 V- 홈 마이크로 채널에 대해 CFD 분석을 수행했습니다 . 혈액의 점도는 거의 일정하기 때문에 흐름 체제는 뉴턴으로 간주됩니다 [1]. 유체 운동이 모세관 효과에 의해서만 발생하도록 모든 경계와 계산 영역 전체에 균일 한 주변 압력이 적용되었습니다. 시뮬레이션은 처음 4mm의 유체 이동을 포함하는 초기 시뮬레이션과 4mm에서 8mm의 유체 이동을 예측하는 재시작 시뮬레이션의 두 부분으로 나뉩니다.

결과 및 검증

처음 8mm 이동에 대한 유동 역학은 그림 2에 나와 있습니다.이 그림은 세 가지 다른 시간에 슬롯에서 전진 인터페이스의 모양을 보여줍니다. 필라멘트 (Concus-Finn 필라멘트)의 점진적인 확장은 주 흐름보다 앞서 볼 수 있습니다.

모세관 흐름 시뮬레이션 — 그림 2. 세 가지 다른 시간에서 FLOW-3D를 사용하여 진행하는 모세관 흐름의 동적 계산 : (a) 0.04, (b) 0.07 및 (c) 0.11 초와 삽입물 (i1), (i2) 및 (i3) Concus-Finn 필라멘트의 진화 [1].

분석, 수치 및 실험 결과 간의 비교는 그림 3에 나와 있습니다. 수치 예측과 실험 간에는 탁월한 일치가 있습니다. 분석 솔루션도 플롯되었지만 채널 하단에있는 Concus – Finn 필라멘트의 효과가 고려되지 않았기 때문에 수치 및 실험 결과에 대한 유효한 비교를 나타내지 않을 수 있습니다.

모세관 흐름 검증 — 그림 3. (A) 시간의 함수로서 채널의 속도. 빨간색 점 : FLOW-3D 시뮬레이션 (중간 높이에서); 녹색 점 : 실험 관찰 (채널 중앙 높이); 파선 녹색 선 : 하단 V 홈의 효과를 무시한 분석 속도. (B) 시간의 함수로서 액체 전면의 원점으로부터의 거리. 빨간색 점 : FLOW-3D 시뮬레이션 (중간 높이에서); 녹색 점 : 실험 관찰 (채널 중앙 높이); 파선 녹색 선 : 하단 V 홈의 효과를 무시한 분석 속도 [1].

전혈 이외에도 식용 색소로 착색 한 물과 점성이 높은 알기 네이트 용액을 포함하여 장치가 고점도 유체를 이동시킬 수있는 가능성을 테스트하는 등 다양한 유체를 연구했습니다. 혈액과 같은 고점도 액체는 1 초 이내에 이동할 수 있습니다 (아래 애니메이션 참조).https://www.youtube.com/embed/v4OYoHStJ1w?controls=1&rel=0&playsinline=0&modestbranding=0&autoplay=0&enablejsapi=1&origin=https%3A%2F%2Fwww.flow3d.com&widgetid=1

사례 연구는 상대적으로 큰 점도 (물의 4 배)를 갖는 전혈의 경우 최대 7.5cm / s의 속도를 달성했음을 보여줍니다. 실험 결과 및 FLOW-3D 예측에 따라 전체 채널은 0.2 초 이내에 혈액으로 채워졌습니다. FLOW-3D 시뮬레이션 결과는 실험 관찰 결과와 매우 일치하며, V-groove 내부의 거리에 따라 속도가 감소하지만 장치의 전체 길이에 걸쳐 중요 함을 나타냅니다.

참고 문헌

Berthier, J., K. Brakke, E. P. Furlani, I. H. Karampelas, and G. Delapierre. “Open-surface microfluidics.” In Proceedings of the Nanotech International Conference, pp. 15-19. 2014.
Hirt, Cyril W., and Billy D. Nichols. “Volume of fluid (VOF) method for the dynamics of free boundaries.” Journal of computational physics 39, no. 1 (1981): 201-225.
Rajaratnam, N., and M. R. Chamani. “Energy loss at drops.” Journal of Hydraulic Research 33, no. 3 (1995): 373-384.

원문 보기

$Hierarchical grain refinement during the laser additive manufacturing of Ti-6Al-4V alloys by the addition of micron-sized refractory particles$

Hierarchical grain refinement during the laser additive manufacturing of Ti-6Al-4V alloys by the addition of micron-sized refractory particles

State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, China

Received 22 January 2021, Revised 6 April 2021, Accepted 6 May 2021, Available online 2 June 2021.

Abstract

Ti-6Al-4V alloys mad by additive manufacturing (AM) with slower cooling rate (e. g., direct energy deposition (DED)) generally have the problem of severe coarsening of α phase. This study presents a method to refine the microstructure of the primary β phase formed during the solid–liquid transformation, microstructures formed during the β → α + β transformation, and recrystallized microstructures formed during the repeated heating cycles encountered in AM processes. This is accomplished by the in situ precipitation of nano-sized dispersed high-melting-point yttria Y₂O₃ particles. The addition of micron-sized particles with high melting points can refine primary crystallized grains and transformed grains corresponding to the secondary phase in Ti-6Al-4V alloys. In addition, they can effectively inhibit the recrystallization and growth of prior-deposited metal grains. The microstructural and tensile properties of laser additive manufactured with filler wire Ti-6Al-4V components with different amounts of Y₂O₃ (0, 0.12, and 0.22 wt%) were investigated. The refining effect of Y₂O₃ was significant and the tensile strength of Ti-6Al-4V containing 0.22 wt% Y₂O₃ in the longitudinal and transverse directions was greater than that of Ti-6Al-4V by approximately 12% and 9%, respectively. Concurrently, there was no loss in the elongation of the material in either direction. The strategy of using micron-sized refractory particles to control phase transformation (primary crystallization, solid-state phase transformation, and recrystallization) can be applied to the AM of different metals, in which microstructures are susceptible to coarsening.

Korea Abstract

더 느린 냉각 속도 (예를 들어, 직접 에너지 증착 (DED))를 가진 적층 제조 (AM)에 의해 미친 Ti-6Al-4V 합금은 일반적으로 α상의 심한 조 대화 문제가 있습니다. 이 연구는 고체-액체 변환 중에 형성된 1 차 β상의 미세 구조, β → α + β 변환 중에 형성된 미세 구조, AM 공정에서 발생하는 반복되는 가열주기 동안 형성된 재결정 화 된 미세 구조를 정제하는 방법을 제시합니다.

이는 나노 크기의 분산 된 고 융점이 트리아 Y2O3 입자의 현장 침전에 의해 달성됩니다. 녹는 점이 높은 미크론 크기의 입자를 추가하면 Ti-6Al-4V 합금의 2 차 상에 해당하는 1 차 결정 입자 및 변형 된 입자를 정제 할 수 있습니다. 또한 사전에 증착 된 금속 입자의 재결정 화 및 성장을 효과적으로 억제 할 수 있습니다.

Y2O3 (0, 0.12, 0.22 wt %)의 양이 다른 필러 와이어 Ti-6Al-4V 성분으로 제조 된 레이저 첨가제의 미세 구조 및 인장 특성을 조사했습니다. Y2O3의 정제 효과는 유의미했으며, Y2O3 0.22 wt %를 세로 및 가로 방향으로 포함하는 Ti-6Al-4V의 인장 강도는 Ti-6Al-4V보다 각각 약 12 % 및 9 % 더 컸습니다.

동시에 어느 방향으로도 재료의 연신율에 손실이 없었습니다. 미크론 크기의 내화 입자를 사용하여 상 변환 (1 차 결정화, 고체 상 변환 및 재결정 화)을 제어하는 전략은 미세 구조가 거칠어지기 쉬운 다양한 금속의 AM에 적용될 수 있습니다.

$Hierarchical grain refinement during the laser additive manufacturing of Ti-6Al-4V alloys by the addition of micron-sized refractory particles Fig1$

Hierarchical grain refinement during the laser additive manufacturing of Ti-6Al-4V alloys by the addition of micron-sized refractory particles Fig1

Keywords

Grain hierarchical refinement, Yttria, Solidification microstructures, Solid phase transition microstructures, Recrystallization microstructures

The simulation of droplet impact on the super-hydrophobic surface with micro-pillar arrays fabricated by laser irradiation and silanization processes

레이저 조사 및 silanization 공정으로 제작된 micro-pillar arrays를 사용하여 초 소수성 표면에 대한 액적 영향 시뮬레이션

ZhenyanXia^a YangZhao^a ZhenYang^abc ChengjuanYang^ab LinanLi^a ShibinWang^a MengWang^ab
^aSchool of Mechanical Engineering, Tianjin University, Tianjin, 300054, China
^bKey Laboratory of Mechanism Theory and Equipment Design of Ministry of Education, Tianjin, 300072, China^c
School of Engineering, University of Warwick, Coventry, CV4 7AL, UK

Received 23 September 2020, Revised 17 November 2020, Accepted 26 November 2020, Available online 11 December 2020.

Abstract

Super-hydrophobicity is one of the significant natural phenomena, which has inspired researchers to fabricate artificial smart materials using advanced manufacturing techniques. In this study, a super-hydrophobic aluminum surface was prepared by nanosecond laser texturing and FAS modification in sequence. The surface wettability turned from original hydrophilicity to super-hydrophilicity immediately after laser treatment. Then it changed to super-hydrophobicity showing a WCA of 157.6 ± 1.2° with a SA of 1.7 ± 0.7° when the laser-induced rough surface being coated with a layer of FAS molecules. The transforming mechanism was further explored from physical and chemical aspects based on the analyses of surface morphology and surface chemistry. Besides, the motion process of droplet impacting super-hydrophobic surface was systematically analyzed via the optimization of simulation calculation grid and the simulation method of volume of fluid (VOF). Based on this simulation method, the morphological changes, the inside pressure distribution and velocity of the droplet were further investigated. And the motion mechanism of the droplet on super-hydrophobic surface was clearly revealed in this paper. The simulation results and the images captured by high-speed camera were highly consistent, which indicated that the computational fluid dynamics (CFD) is an effective method to predict the droplet motion on super- hydrophobic surfaces. This paper can provide an explicit guidance for the selection of suitable methods for functional surfaces with different requirements in the industry.

Korea Abstract

초 소수성은 연구원들이 첨단 제조 기술을 사용하여 인공 스마트 재료를 제작하도록 영감을 준 중요한 자연 현상 중 하나 입니다. 이 연구에서 초 소수성 알루미늄 표면은 나노초 레이저 텍스처링과 FAS 수정에 의해 순서대로 준비되었습니다.

레이저 처리 직후 표면 습윤성은 원래의 친수성에서 초 친수성으로 바뀌 었습니다. 그런 다음 레이저 유도 거친 표면을 FAS 분자 층으로 코팅했을 때 WCA가 157.6 ± 1.2 °이고 SA가 1.7 ± 0.7 ° 인 초 소수성으로 변경되었습니다.

변형 메커니즘은 표면 형태 및 표면 화학 분석을 기반으로 물리적 및 화학적 측면에서 추가로 탐구 되었습니다. 또한, 초 소수성 표면에 영향을 미치는 물방울의 운동 과정은 시뮬레이션 계산 그리드의 최적화와 유체 부피 (VOF) 시뮬레이션 방법을 통해 체계적으로 분석되었습니다.

이 시뮬레이션 방법을 바탕으로 형태학적 변화, 내부 압력 분포 및 액 적의 속도를 추가로 조사했습니다. 그리고 초 소수성 표면에 있는 물방울의 운동 메커니즘이 이 논문에서 분명하게 드러났습니다.

시뮬레이션 결과와 고속 카메라로 캡처한 이미지는 매우 일관적 이었습니다. 이는 전산 유체 역학 (CFD)이 초 소수성 표면에서 액적 움직임을 예측하는 효과적인 방법임을 나타냅니다.

이 백서는 업계의 다양한 요구 사항을 가진 기능 표면에 적합한 방법을 선택하기 위한 명시적인 지침을 제공 할 수 있습니다.

Keywords: Laser irradiation; Wettability; Droplet impact; Simulation; VOF

Introduction

서식지에 적응하기 위해 많은 자연 식물과 동물에서 특별한 습윤 표면이 진화되었습니다 [1-3]. 연잎은 먼지에 의한 오염으로부터 스스로를 보호하기 위해 우수한 자가 청소 특성을 나타냅니다 [4]. 사막 딱정벌레는 공기에서 물을 수확할 수 있는 기능적 표면 때문에 건조한 사막에서 생존 할 수 있습니다 [5].

자연 세계에서 영감을 받아 고체 기질의 표면 습윤성을 수정하는데 더 많은 관심이 집중되었습니다 [6-7]. 기능성 표면의 우수한 성능은 고유 한 표면 습윤성에 기인하며, 이는 고체 표면에서 액체의 확산 능력을 반영하는 중요한 특성 중 하나입니다 [8].

일반적으로 물 접촉각 (WCA) 값에 따라 90 °는 친수성과 소수성의 경계로 간주됩니다. WCA가 90 ° 이상인 소수성 표면, WCA가 90 ° 미만인 친수성 표면 [9 ]. 특히 고체 표면은 WCA가 10 ° 미만의 슬라이딩 각도 (SA)에서 150 °를 초과 할 때 특별한 초 소수성을 나타냅니다 [10-11].

<내용 중략> ……

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Hierarchical grain refinement during the laser additive manufacturing of Ti-6Al-4V alloys by the addition of micron-sized refractory particles

미크론 크기의 내화물 입자를 추가하여 Ti-6Al-4V 합금의 레이저 적층 제조중 계층적 입자 미세 조정

Xiang Wang, Lin-Jie Zhang, Jie Ning, Sen Li, Liang-Liang Zhang, Jian Long
State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, China

Abstract

냉각 속도가 느린 적층 제조(AM)에 의해 제조된 Ti-6Al-4V 합금은 일반적으로 α상(예: 직접 에너지 증착(DED)의 심각한 응고 문제를 가지고 있습니다. 이 연구는 고체-액체 변환 중에 형성된 1 차 β상의 미세 구조, β → α + β 변환 중에 형성된 미세 구조, AM 공정에서 발생하는 반복되는 가열주기 동안 형성된 재 결정화된 미세 구조를 정제하는 방법을 제시합니다.

이것은 나노 크기의 분산된 고 융점이 트리아 Y2O3 입자의 현장 침전에 의해 달성됩니다. 녹는 점이 높은 미크론 크기의 입자를 추가하면 Ti-6Al-4V 합금의 2 차 상에 해당하는 1차 결정 입자 및 변형된 입자를 정제 할 수 있습니다.

또한 사전에 증착된 금속 입자의 재 결정화 및 성장을 효과적으로 억제 할 수 있습니다. Y2O3 (0, 0.12, 0.22 wt %)의 양이 다른 필러 와이어 Ti-6Al-4V 성분으로 제조 된 레이저 첨가제의 미세 구조 및 인장 특성을 조사했습니다.

Y2O3의 정제 효과는 유의미했으며, Y2O3 0.22 wt %를 세로 및 가로 방향으로 포함하는 Ti-6Al-4V의 인장 강도는 Ti-6Al-4V보다 각각 약 12 % 및 9 % 더 컸습니다. 동시에 어느 방향으로도 재료의 연신율에 손실이 없었습니다.

미크론 크기의 내화 입자를 사용하여 상 변환 (1 차 결정화, 고체 상 변환 및 재결정 화)을 제어하는 전략은 미세 구조가 거칠어지기 쉬운 다양한 금속의 AM에 적용될 수 있습니다.

Keywords: Grain hierarchical refinement, YttriaSolidification microstructures, Solid phase transition microstructures, Recrystallization microstructures

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Modeling of contactless bubble–bubble interactions in microchannels with integrated inertial pumps

통합 관성 펌프를 사용하여 마이크로 채널에서 비접촉식 기포-기포 상호 작용 모델링

Physics of Fluids 33, 042002 (2021); https://doi.org/10.1063/5.0041924 B. Hayes^a), G. L. Whiting^b), and R. MacCurdy^c)

ABSTRACT

In this study, the nonlinear effect of contactless bubble–bubble interactions in inertial micropumps is characterized via reduced parameter one-dimensional and three-dimensional computational fluid dynamics (3D CFD) modeling. A one-dimensional pump model is developed to account for contactless bubble-bubble interactions, and the accuracy of the developed one-dimensional model is assessed via the commercial volume of fluid CFD software, FLOW-3D. The FLOW-3D CFD model is validated against experimental bubble dynamics images as well as experimental pump data. Precollapse and postcollapse bubble and flow dynamics for two resistors in a channel have been successfully explained by the modified one-dimensional model. The net pumping effect design space is characterized as a function of resistor placement and firing time delay. The one-dimensional model accurately predicts cumulative flow for simultaneous resistor firing with inner-channel resistor placements (0.2L < x < 0.8L where L is the channel length) as well as delayed resistor firing with inner-channel resistor placements when the time delay is greater than the time required for the vapor bubble to fill the channel cross section. In general, one-dimensional model accuracy suffers at near-reservoir resistor placements and short time delays which we propose is a result of 3D bubble-reservoir interactions and transverse bubble growth interactions, respectively, that are not captured by the one-dimensional model. We find that the one-dimensional model accuracy improves for smaller channel heights. We envision the developed one-dimensional model as a first-order rapid design tool for inertial pump-based microfluidic systems operating in the contactless bubble–bubble interaction nonlinear regime

이 연구에서 관성 마이크로 펌프에서 비접촉 기포-기포 상호 작용의 비선형 효과는 감소 된 매개 변수 1 차원 및 3 차원 전산 유체 역학 (3D CFD) 모델링을 통해 특성화됩니다. 비접촉식 기포-버블 상호 작용을 설명하기 위해 1 차원 펌프 모델이 개발되었으며, 개발 된 1 차원 모델의 정확도는 유체 CFD 소프트웨어 인 FLOW-3D의 상용 볼륨을 통해 평가됩니다.

FLOW-3D CFD 모델은 실험적인 거품 역학 이미지와 실험적인 펌프 데이터에 대해 검증되었습니다. 채널에 있는 두 저항기의 붕괴 전 및 붕괴 후 기포 및 유동 역학은 수정 된 1 차원 모델에 의해 성공적으로 설명되었습니다. 순 펌핑 효과 설계 공간은 저항 배치 및 발사 시간 지연의 기능으로 특징 지어집니다.

1 차원 모델은 내부 채널 저항 배치 (0.2L <x <0.8L, 여기서 L은 채널 길이)로 동시 저항 발생에 대한 누적 흐름과 시간 지연시 내부 채널 저항 배치로 지연된 저항 발생을 정확하게 예측합니다. 증기 방울이 채널 단면을 채우는 데 필요한 시간보다 큽니다.

일반적으로 1 차원 모델 정확도는 저수지 근처의 저항 배치와 1 차원 모델에 의해 포착되지 않는 3D 기포-저수지 상호 작용 및 가로 기포 성장 상호 작용의 결과 인 짧은 시간 지연에서 어려움을 겪습니다. 채널 높이가 작을수록 1 차원 모델 정확도가 향상됩니다. 우리는 개발 된 1 차원 모델을 비접촉 기포-기포 상호 작용 비선형 영역에서 작동하는 관성 펌프 기반 미세 유체 시스템을 위한 1 차 빠른 설계 도구로 생각합니다.

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Figure 4. Calculate and simulate the injection of water in a single-channel injection chamber with a nozzle diameter of 60 μm and a thickness of 50 μm, at an operating frequency of 5 KHz, in the X-Y two-dimensional cross-sectional view, at 10, 20, 30, 40 and 200 μs.

DNA Printing Integrated Multiplexer Driver Microelectronic Mechanical System Head (IDMH) and Microfluidic Flow Estimation

DNA 프린팅 통합 멀티플렉서 드라이버 Microelectronic Mechanical System Head (IDMH) 및 Microfluidic Flow Estimation

by Jian-Chiun Liou^1,*,Chih-Wei Peng¹ ,Philippe Basset² andZhen-Xi Chen¹¹School of Biomedical Engineering, Taipei Medical University, Taipei 11031, Taiwan²ESYCOM, Université Gustave Eiffel, CNRS, CNAM, ESIEE Paris, F-77454 Marne-la-Vallée, France^*Author to whom correspondence should be addressed.

Abstract

The system designed in this study involves a three-dimensional (3D) microelectronic mechanical system chip structure using DNA printing technology. We employed diverse diameters and cavity thickness for the heater. DNA beads were placed in this rapid array, and the spray flow rate was assessed. Because DNA cannot be obtained easily, rapidly deploying DNA while estimating the total amount of DNA being sprayed is imperative. DNA printings were collected in a multiplexer driver microelectronic mechanical system head, and microflow estimation was conducted. Flow-3D was used to simulate the internal flow field and flow distribution of the 3D spray room. The simulation was used to calculate the time and pressure required to generate heat bubbles as well as the corresponding mean outlet speed of the fluid. The “outlet speed status” function in Flow-3D was used as a power source for simulating the ejection of fluid by the chip nozzle. The actual chip generation process was measured, and the starting voltage curve was analyzed. Finally, experiments on flow rate were conducted, and the results were discussed. The density of the injection nozzle was 50, the size of the heater was 105 μm × 105 μm, and the size of the injection nozzle hole was 80 μm. The maximum flow rate was limited to approximately 3.5 cc. The maximum flow rate per minute required a power between 3.5 W and 4.5 W. The number of injection nozzles was multiplied by 100. On chips with enlarged injection nozzle density, experiments were conducted under a fixed driving voltage of 25 V. The flow curve obtained from various pulse widths and operating frequencies was observed. The operating frequency was 2 KHz, and the pulse width was 4 μs. At a pulse width of 5 μs and within the power range of 4.3–5.7 W, the monomer was injected at a flow rate of 5.5 cc/min. The results of this study may be applied to estimate the flow rate and the total amount of the ejection liquid of a DNA liquid.

이 연구에서 설계된 시스템은 DNA 프린팅 기술을 사용하는 3 차원 (3D) 마이크로 전자 기계 시스템 칩 구조를 포함합니다. 히터에는 다양한 직경과 캐비티 두께를 사용했습니다. DNA 비드를 빠른 어레이에 배치하고 스프레이 유속을 평가했습니다.

DNA를 쉽게 얻을 수 없기 때문에 DNA를 빠르게 배치하면서 스프레이 되는 총 DNA 양을 추정하는 것이 필수적입니다. DNA 프린팅은 멀티플렉서 드라이버 마이크로 전자 기계 시스템 헤드에 수집되었고 마이크로 플로우 추정이 수행되었습니다.

Flow-3D는 3D 스프레이 룸의 내부 유동장과 유동 분포를 시뮬레이션 하는데 사용되었습니다. 시뮬레이션은 열 거품을 생성하는데 필요한 시간과 압력뿐만 아니라 유체의 해당 평균 출구 속도를 계산하는데 사용되었습니다.

Flow-3D의 “출구 속도 상태”기능은 칩 노즐에 의한 유체 배출 시뮬레이션을 위한 전원으로 사용되었습니다. 실제 칩 생성 프로세스를 측정하고 시작 전압 곡선을 분석했습니다. 마지막으로 유속 실험을 하고 그 결과를 논의했습니다. 분사 노즐의 밀도는 50, 히터의 크기는 105μm × 105μm, 분사 노즐 구멍의 크기는 80μm였다. 최대 유량은 약 3.5cc로 제한되었습니다. 분당 최대 유량은 3.5W에서 4.5W 사이의 전력이 필요했습니다. 분사 노즐의 수에 100을 곱했습니다. 분사 노즐 밀도가 확대 된 칩에 대해 25V의 고정 구동 전압에서 실험을 수행했습니다. 얻은 유동 곡선 다양한 펄스 폭과 작동 주파수에서 관찰되었습니다. 작동 주파수는 2KHz이고 펄스 폭은 4μs입니다. 5μs의 펄스 폭과 4.3–5.7W의 전력 범위 내에서 단량체는 5.5cc / min의 유속으로 주입되었습니다. 이 연구의 결과는 DNA 액체의 토 출액의 유량과 총량을 추정하는 데 적용될 수 있습니다.

Keywords: DNA printing; flow estimation; MEMS

Introduction

잉크젯 프린트 헤드 기술은 매우 중요하며, 잉크젯 기술의 거대한 발전은 주로 잉크젯 프린트 헤드 기술의 원리 개발에서 시작되었습니다. 잉크젯 인쇄 연구를 위한 대규모 액적 생성기 포함 [ 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8]. 연속 식 잉크젯 시스템은 고주파 응답과 고속 인쇄의 장점이 있습니다. 그러나이 방법의 잉크젯 프린트 헤드의 구조는 더 복잡하고 양산이 어려운 가압 장치, 대전 전극, 편향 전계가 필요하다. 주문형 잉크젯 시스템의 잉크젯 프린트 헤드는 구조가 간단하고 잉크젯 헤드의 다중 노즐을 쉽게 구현할 수 있으며 디지털화 및 색상 지정이 쉽고 이미지 품질은 비교적 좋지만 일반적인 잉크 방울 토출 속도는 낮음 [ 9 , 10 , 11 ].

핫 버블 잉크젯 헤드의 총 노즐 수는 수백 또는 수천에 달할 수 있습니다. 노즐은 매우 미세하여 풍부한 조화 색상과 부드러운 메쉬 톤을 생성할 수 있습니다. 잉크 카트리지와 노즐이 일체형 구조를 이루고 있으며, 잉크 카트리지 교체시 잉크젯 헤드가 동시에 업데이트되므로 노즐 막힘에 대한 걱정은 없지만 소모품 낭비가 발생하고 상대적으로 높음 비용. 주문형 잉크젯 기술은 배출해야 하는 그래픽 및 텍스트 부분에만 잉크 방울을 배출하고 빈 영역에는 잉크 방울이 배출되지 않습니다. 이 분사 방법은 잉크 방울을 충전할 필요가 없으며 전극 및 편향 전기장을 충전할 필요도 없습니다. 노즐 구조가 간단하고 노즐의 멀티 노즐 구현이 용이하며, 출력 품질이 더욱 개선되었습니다. 펄스 제어를 통해 디지털화가 쉽습니다. 그러나 잉크 방울의 토출 속도는 일반적으로 낮습니다. 열 거품 잉크젯, 압전 잉크젯 및 정전기 잉크젯의 세 가지 일반적인 유형이 있습니다. 물론 다른 유형이 있습니다.

압전 잉크젯 기술의 실현 원리는 인쇄 헤드의 노즐 근처에 많은 소형 압전 세라믹을 배치하면 압전 크리스탈이 전기장의 작용으로 변형됩니다. 잉크 캐비티에서 돌출되어 노즐에서 분사되는 패턴 데이터 신호는 압전 크리스탈의 변형을 제어한 다음 잉크 분사량을 제어합니다. 압전 MEMS 프린트 헤드를 사용한 주문형 드롭 하이브리드 인쇄 [ 12]. 열 거품 잉크젯 기술의 실현 원리는 가열 펄스 (기록 신호)의 작용으로 노즐의 발열체 온도가 상승하여 근처의 잉크 용매가 증발하여 많은 수의 핵 형성 작은 거품을 생성하는 것입니다. 내부 거품의 부피는 계속 증가합니다. 일정 수준에 도달하면 생성된 압력으로 인해 잉크가 노즐에서 분사되고 최종적으로 기판 표면에 도달하여 패턴 정보가 재생됩니다 [ 13 , 14 , 15 , 16 , 17 , 18 ].

“3D 제품 프린팅”및 “증분 빠른 제조”의 의미는 진화했으며 모든 증분 제품 제조 기술을 나타냅니다. 이는 이전 제작과는 다른 의미를 가지고 있지만, 자동 제어 하에 소재를 쌓아 올리는 3D 작업 제작 과정의 공통적 인 특징을 여전히 반영하고 있습니다 [ 19 , 20 , 21 , 22 , 23 , 24 ].

이 개발 시스템은 열 거품 분사 기술입니다. 이 빠른 어레이에 DNA 비드를 배치하고 스프레이 유속을 평가하기 위해 다른 히터 직경과 캐비티 두께를 설계하는 것입니다. DNA 제트 칩의 부스트 회로 시스템은 큰 흐름을 구동하기위한 신호 소스입니다. 목적은 분사되는 DNA 용액의 양과 출력을 조정하는 것입니다. 입력 전압을 더 높은 출력 전압으로 변환해야 하는 경우 부스트 컨버터가 유일한 선택입니다. 부스트 컨버터는 내부 금속 산화물 반도체 전계 효과 트랜지스터 (MOSFET)를 통해 전압을 충전하여 부스트 출력의 목적을 달성하고, MOSFET이 꺼지면 인덕터는 부하 정류를 통해 방전됩니다.

인덕터의 충전과 방전 사이의 변환 프로세스는 인덕터를 통한 전압의 방향을 반대로 한 다음 점차적으로 입력 작동 전압보다 높은 전압을 증가시킵니다. MOSFET의 스위칭 듀티 사이클은 확실히 부스트 비율을 결정합니다. MOSFET의 정격 전류와 부스트 컨버터의 부스트 비율은 부스트 컨버터의 부하 전류의 상한을 결정합니다. MOSFET의 정격 전압은 출력 전압의 상한을 결정합니다. 일부 부스트 컨버터는 정류기와 MOSFET을 통합하여 동기식 정류를 제공합니다. 통합 MOSFET은 정확한 제로 전류 턴 오프를 달성하여 부스트 변압기를 보다 효율적으로 만듭니다. 최대 전력 점 추적 장치를 통해 입력 전력을 실시간으로 모니터링합니다. 입력 전압이 최대 입력 전력 지점에 도달하면 부스트 컨버터가 작동하기 시작하여 부스트 컨버터가 최대 전력 출력 지점으로 유리 기판에 DNA 인쇄를 하는 데 적합합니다. 일정한 온 타임 생성 회로를 통해 온 타임이 온도 및 칩의 코너 각도에 영향을 받지 않아 시스템의 안정성이 향상됩니다.

잉크젯 프린트 헤드에 사용되는 기술은 매우 중요합니다. 잉크젯 기술의 엄청난 발전은 주로 잉크젯 프린팅에 사용되는 대형 액적 이젝터 [ 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 ]를 포함하여 잉크젯 프린트 헤드 기술의 이론 개발에서 시작되었습니다 . 연속 잉크젯 시스템은 고주파 응답과 고속 인쇄의 장점을 가지고 있습니다. 잉크젯 헤드의 총 노즐 수는 수백 또는 수천에 달할 수 있으며 이러한 노즐은 매우 복잡합니다. 노즐은 풍부하고 조화로운 색상과 부드러운 메쉬 톤을 생성할 수 있습니다 [ 9 , 10 ,11 ]. 잉크젯은 열 거품 잉크젯, 압전 잉크젯 및 정전 식 잉크젯의 세 가지 주요 유형으로 분류할 수 있습니다. 다른 유형도 사용 중입니다. 압전 잉크젯의 기능은 다음과 같습니다. 많은 소형 압전 세라믹이 잉크젯 헤드 노즐 근처에 배치됩니다. 압전 결정은 전기장 아래에서 변형됩니다. 그 후, 잉크는 잉크 캐비티에서 압착되어 노즐에서 배출됩니다. 패턴의 데이터 신호는 압전 결정의 변형을 제어한 다음 분사되는 잉크의 양을 제어합니다. 압전 마이크로 전자 기계 시스템 (MEMS) 잉크젯 헤드는 하이브리드 인쇄에 사용됩니다. [ 12]. 열 버블 잉크젯 기술은 다음과 같이 작동합니다. 가열 펄스 (즉, 기록 신호) 하에서 노즐의 가열 구성 요소의 온도가 상승하여 근처의 잉크 용매를 증발시켜 많은 양의 작은 핵 기포를 생성합니다. 내부 기포의 부피가 지속적으로 증가합니다. 압력이 일정 수준에 도달하면 노즐에서 잉크가 분출되고 잉크가 기판 표면에 도달하여 패턴과 메시지가 표시됩니다 [ 13 , 14 , 15 , 16 , 17 , 18 ].

3 차원 (3D) 제품 프린팅 및 빠른 프로토 타입 기술의 발전에는 모든 빠른 프로토 타입의 생산 기술이 포함됩니다. 래피드 프로토 타입 기술은 기존 생산 방식과는 다르지만 3D 제품 프린팅 생산 과정의 일부 특성을 공유합니다. 구체적으로 자동 제어 [ 19 , 20 , 21 , 22 , 23 , 24 ] 하에서 자재를 쌓아 올립니다 .

이 연구에서 개발된 시스템은 열 기포 방출 기술을 사용했습니다. 이 빠른 어레이에 DNA 비드를 배치하기 위해 히터에 대해 다른 직경과 다른 공동 두께가 사용되었습니다. 그 후, 스프레이 유속을 평가했다. DNA 제트 칩의 부스트 회로 시스템은 큰 흐름을 구동하기위한 신호 소스입니다. 목표는 분사되는 DNA 액체의 양과 출력을 조정하는 것입니다. 입력 전압을 더 높은 출력 전압으로 수정해야하는 경우 승압 컨버터가 유일한 옵션입니다. 승압 컨버터는 내부 금속 산화물 반도체 전계 효과 트랜지스터 (MOSFET)를 충전하여 출력 전압을 증가시킵니다. MOSFET이 꺼지면 부하 정류를 통해 인덕턴스가 방전됩니다. 충전과 방전 사이에서 인덕터를 변경하는 과정은 인덕터를 통과하는 전압의 방향을 변경합니다. 전압은 입력 작동 전압을 초과하는 지점까지 점차적으로 증가합니다. MOSFET 스위치의 듀티 사이클은 부스트 비율을 결정합니다. MOSFET의 승압 컨버터의 정격 전류와 부스트 비율은 승압 컨버터의 부하 전류의 상한을 결정합니다. MOSFET의 정격 전류는 출력 전압의 상한을 결정합니다. 일부 승압 컨버터는 정류기와 MOSFET을 통합하여 동기식 정류를 제공합니다. 통합 MOSFET은 정밀한 제로 전류 셧다운을 실현할 수 있으므로 셋업 컨버터의 효율성을 높일 수 있습니다. 최대 전력 점 추적 장치는 입력 전력을 실시간으로 모니터링하는 데 사용되었습니다. 입력 전압이 최대 입력 전력 지점에 도달하면 승압 컨버터가 작동을 시작합니다. 스텝 업 컨버터는 DNA 프린팅을 위한 최대 전력 출력 포인트가 있는 유리 기판에 사용됩니다.

MEMS Chip Design for Bubble Jet

이 연구는 히터 크기, 히터 번호 및 루프 저항과 같은 특정 매개 변수를 조작하여 5 가지 유형의 액체 배출 챔버 구조를 설계했습니다. 표 1 은 측정 결과를 나열합니다. 이 시스템은 다양한 히터의 루프 저항을 분석했습니다. 100 개 히터 설계를 완료하기 위해 2 세트의 히터를 사용하여 각 단일 회로 시리즈를 통과하기 때문에 100 개의 히터를 설계할 때 총 루프 저항은 히터 50 개의 총 루프 저항보다 하나 더 커야 합니다. 이 연구에서 MEMS 칩에서 기포를 배출하는 과정에서 저항 층의 면저항은 29 Ω / m ^2입니다. 따라서 모델 A의 총 루프 저항이 가장 컸습니다. 일반 사이즈 모델 (모델 B1, C, D, E)의 두 배였습니다. 모델 B1, C, D 및 E의 총 루프 저항은 약 29 Ω / m ² 입니다. 표 1 에 따르면 오류 범위는 허용된 설계 값 이내였습니다. 따라서야 연구에서 설계된 각 유형의 단일 칩은 동일한 생산 절차 결과를 가지며 후속 유량 측정에 사용되었습니다.

Table 1. List of resistance measurement of single circuit resistance.

DNA를 뿌린 칩의 파워가 정상으로 확인되면 히터 버블의 성장 특성을 테스트하고 검증했습니다. DNA 스프레이 칩의 필름 두께와 필름 품질은 히터의 작동 조건과 스프레이 품질에 영향을 줍니다. 따라서 기포 성장 현상과 그 성장 특성을 이해하면 본 연구에서 DNA 스프레이 칩의 특성과 작동 조건을 명확히 하는 데 도움이 됩니다.

설계된 시스템은 기포 성장 조건을 관찰하기 위해 개방형 액체 공급 방법을 채택했습니다. 이미지 관찰을 위해 발광 다이오드 (LED, Nichia NSPW500GS-K1, 3.1V 백색 LED 5mm)를 사용하는 동기식 플래시 방식을 사용하여 동기식 지연 광원을 생성했습니다. 이 시스템은 또한 전하 결합 장치 (CCD, Flir Grasshopper3 GigE GS3-PGE-50S5C-C)를 사용하여 이미지를 캡처했습니다. 그림 1핵 형성, 성장, 거품 생성에서 소산에 이르는 거품의 과정을 보여줍니다. 이 시스템은 기포의 성장 및 소산 과정을 확인하여 시작 전압을 관찰하는 데 사용할 수 있습니다. 마이크로 채널의 액체 공급 방법은 LED가 깜빡이는 시간을 가장 큰 기포 발생에 필요한 시간 (15μs)으로 설정했습니다. 이 디자인은 부적합한 깜박임 시간으로 인한 잘못된 판단과 거품 이미지 캡처 불가능을 방지합니다.

Figure 1. The system uses CCD to capture images.

<내용 중략>…….

Table 2. Open pool test starting voltage results.

Figure 2. Serial input parallel output shift registers forms of connection.

Figure 3. The geometry of the jet cavity. (a) The actual DNA liquid chamber, (b) the three-dimensional view of the microfluidic single channel. A single-channel jet cavity with 60 μm diameter and 50 μm thickness, with an operating frequency of 5 KHz, in (a) three-dimensional side view (b) X-Z two-dimensional cross-sectional view, at 10, 20, 30, 40 and 200 μs injection conditions.

Figure 5 depicts the calculation results of the 2D X-Z cross section. At 100 μs and 200 μs, the fluid injection orifice did not completely fill the chamber. This may be because the size of the single-channel injection cavity was unsuitable for the highest operating frequency of 10 KHz. Thus, subsequent calculation simulations employed 5 KHz as the reference operating frequency. The calculation simulation results were calculated according to the operating frequency of the impact. Figure 6 illustrates the injection cavity height as 60 μm and 30 μm and reveals the 2D X-Y cross section. At 100 μs and 200 μs, the fluid injection orifice did not completely fill the chamber. In those stages, the fluid was still filling the chamber, and the flow field was not yet stable.

Figure 6. Calculate and simulate water in a single-channel spray chamber with a spray hole diameter of 60 μm and a thickness of 50 μm, with an operating frequency of 10 KHz, in an XY cross-sectional view, at 10, 20, 30, 40, 100, 110, 120, 130, 140 and 200 μs injection situation.

Figure 7. The DNA printing integrated multiplexer driver MEMS head (IDMH).

Figure 8. The initial voltage diagrams of chip number A,B,C,D,E type.

Figure 9. The initial energy diagrams of chip number A,B,C,D,E type.

Figure 17. E1 type ejection rate relationship.

Conclusions

이 연구는 DNA 프린팅 IDMH를 제공하고 미세 유체 흐름 추정을 수행했습니다. 설계된 DNA 스프레이 캐비티와 20V의 구동 전압에서 다양한 펄스 폭의 유동 성능이 펄스 폭에 따라 증가하는 것으로 밝혀졌습니다.

E1 유형 유량 테스트는 해당 유량이 3.1cc / min으로 증가함에 따라 유량이 전력 변화에 영향을 받는 것으로 나타났습니다. 동력이 증가함에 따라 유량은 0.75cc / min에서 3.5cc / min으로 최대 6.5W까지 증가했습니다. 동력이 더 증가하면 유량은 에너지와 함께 증가하지 않습니다. 이것은 이 테이블 디자인이 가장 크다는 것을 보여줍니다. 유속은 3.5cc / 분이었다.
작동 주파수가 2KHz이고 펄스 폭이 4μs 및 5μs 인 특수 설계된 DNA 스프레이 룸 구조에서 다양한 전력 조건 하에서 유량 변화를 관찰했습니다. 4.3–5.87 W의 출력 범위 내에서 주입 된 모노머의 유속은 5.5cc / 분이었습니다. 이것은 힘이 증가해도 변하지 않았습니다. DNA는 귀중하고 쉽게 얻을 수 없습니다. 이 실험을 통해 우리는 DNA가 뿌려진 마이크로 어레이 바이오칩의 수천 개의 지점에 필요한 총 DNA 양을 정확하게 추정 할 수 있습니다.

<내용 중략>…….

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Full Text View

Figure 2. Experimental setups for the (a) Al/Cu overlap joint and (b) laser welding process.

Investigation on Laser Welding of Al Ribbon to Cu Sheet: Weldability, Microstructure, and Mechanical and Electrical Properties

알루미늄 리본과 구리 시트의 레이저 용접에 대한 조사 : 용접성, 미세 구조, 기계적 및 전기적 특성

Won‐Sang Shin 1,†, Dae‐Won Cho 2,†, Donghyuck Jung 1, Heeshin Kang 3, Jeng O Kim 3, Yoon‐Jun Kim 1,*
and Changkyoo Park 3,*

Al 리본과 Cu 시트의 펄스 레이저 용접은 전력 전자 모듈의 전기적 상호 연결에 대해 조사되었습니다. 결함 없는 Al / Cu 조인트를 얻기 위해 레이저 출력, 스캔 속도 및 열 입력이 서로 다른 다양한 실험 조건이 사용되었습니다. Al / Cu 레이저 용접 중에 금속 간 화합물이 용접 영역에 형성되었습니다. 전자 탐침 마이크로 분석기와 투과 전자 현미경으로 Al4Cu9, Al2Cu, AlCu 등으로 밝혀진 금속 간 화합물의 상을 확인했습니다. 전산 유체 역학 시뮬레이션은 Marangoni 효과가 용융 풀의 순환을 유도하여 혼합물을 생성하는 것으로 나타났습니다. Al과 Cu의 결합과 Al / Cu 조인트에서 소용돌이 모양의 구조 형성. Al / Cu 접합부의 인장 전단강도와 전기 저항을 측정하였으며 용접 면적과 강한 상관 관계를 보였다. Al / Cu 접합부의 용접 면적이 증가함에 따라 기계적 강도의 감소와 전기 저항의 증가가 측정 되었습니다. 또한 무결점 Al / Cu 접합을 위한 공정 창을 개발하고 Al / Cu 레이저 브레이즈 용접을 위한 실험 조건을 조사하여 Al / Cu 접합에서 금속 간 화합물 형성을 최소화했습니다.

Introduction

전기 상호 연결은 전력 전자 모듈을 패키징하는 데 중요합니다. 우수한 기계적 및 전기적 특성을 가진 견고한 전기적 상호 연결은 전력 전자 모듈의 전기적 고장을 방지하는 데 필수적입니다. 저항 스폿 용접, 브레이징, 납땜 및 초음파 용접 (USW)이 전기 상호 연결에 사용되었습니다.

납땜과 납땜 모두 저온 공정으로 인해 접합부에서 한계 변형과 잔류 응력이 발생합니다 [1]. 필러 합금은 두 공정 모두 견고한 전기 접촉을 달성하는 데 필수적입니다. 따라서 조인트는 서로 접촉하는 서로 다른 금속으로 구성됩니다.

결과적으로 조인트는 부식 환경에서 갈바닉 부식에 취약 할 수 있습니다 [2,3]. 더욱이, 비금속과 충전재 사이의 친화도를 고려해야 하기 때문에 제한된 충전재 만 특정 조인트에 사용할 수 있습니다 [1]. USW는 용접 온도가 낮고 용접 시간이 짧기 때문에 접합부의 변형이 비교적 적습니다.

따라서 이는 특히 연질 재료 (예 : Al, Cu, Ag, Au 및 Ni)의 경우 기존 접합 방법을 대체하고 있습니다 [4–6]. 그러나 Cu를위한 USW 공정의 경우, 표면 산화물이 강해 용접성이 저하되는 것을 방지하기 위해 Cu 표면에 Sn 또는 Ni 코팅이 필요하며, 이는 공정 속도를 늦추고 산업적 응용을위한 경제적 측면을 악화시킨다 [7 , 8].

레이저 용접은 쉬운 제어, 고정밀 및 원격 처리의 특성으로 인해 전력 전자 모듈의 전기 연결에 대한 유망한 후보입니다. 열의 영향을 받는 작은 영역과 변형은 전기 접점의 손상을 최소화 할 것으로 예상됩니다 [9-11]. 또한 레이저 용접을 위해 추가 표면 준비가 필요하지 않습니다.

이종 재료의 용접은 산업 응용 분야에서 중요했습니다. 더욱이 그림 1 [12,13]에서 볼 수 있듯이 전기 연결을위한 와이어 또는 리본 본딩에 여러 다른 조인트가 필요하기 때문에 전력 전자 모듈에서 필수적인 기술이되고 있습니다.

전기 접점의 다양한 조합 중에서 Al과 Cu는 높은 전기 전도성으로 인해 전기 연결에 중요한 재료로 종종 간주됩니다 [14]. 그러나 Al과 Cu의 서로 다른 용접은 금속 간 화합물 (IMC)의 형성을 촉진하고 동시에 Al / Cu 조인트의 기계적 및 전기적 특성에 영향을 줍니다. 일반적으로 Al / Cu 조인트 내부에 IMC가 있으면 연성 및 전기 저항에 해를 끼치므로 균열이 쉽게 발생하고 용접을 통한 전기 전도도를 방해합니다 [15,16].

따라서 견고한 Al / Cu 조인트를 얻으려면 IMC의 형성을 피해야합니다. 여러 연구에서 Al 및 Cu 시트의 레이저 빔 용접을 조사했습니다. 연속파 (CW) 레이저가 Al / Cu 조인트에 사용되었습니다 [17-23]. 큰 열 입력과 상당한 IMC 형성으로 인해 용접 영역에서 많은 균열이 관찰되었습니다 [18,19].

CW 레이저 빔의 공간 진동은 Al / Cu 조인트의 용접 품질을 향상시키는 것으로 나타났습니다. 직선 CW 레이저 빔 [18-20]과 비교하여 용접 영역에서 IMC 크기가 더 작은 기공과 균열이 더 적습니다.

Al과 Cu 시트의 겹침 접합에는 CW 단일 모드 파이버 레이저를 사용했으며, IMC 형성을 억제하여 높은 용접 속도 (즉, 50m / min)에서 견고한 Al / Cu 접합을 얻었습니다 [22]. Mai et al. [23]은 다른 Al / Cu 용접을 달성하기 위해 펄스 레이저를 사용했습니다.

그들은 Al / Cu 용접성이 레이저 공정 매개 변수에 크게 의존한다는 것을 밝혔으며 100mm / min 미만의 스캔 속도에서 균열없는 Al / Cu 접합을 달성하는 데 성공했습니다.

본문 내용 생략 : 문서 하단부의 원문보기를 참고하시기 바랍니다.

Figure 1. Schematic diagram of the insulated gate bipolar transistors (IGBT) power module. Red‐dotted box indicated the electrical connections

Figure 3. Schematic diagram of the numerical simulation domain and boundary conditions.

Figure 4. Experimental setup for the four‐point electrical resistance measurement.

Figure 5. Cross‐sectional OM image of the Al/Cu joints in parallel to the laser welding direction. The laser power and scan speed were set at 2300 W and 20 mm/s, respectively.

Figure 6 shows the cross‐sectional SEM images of the Al/Cu joints, and corresponding EPMA element mapping of Al and Cu for the (a) 23/20, (b) 25/28.6, (c) 25/15.4, and (d) 27/20. — Figure 6 shows the cross‐sectional SEM images of the Al/Cu joints, and corresponding EPMA element mapping of Al and Cu for the (a) 23/20,

Figure 6. Cross‐sectional SEM image and elemental distribution mapping of Al and Cu elements for the (a) 23/20, (b) 25/28.6, (c) 25/15.4, and (d) 27/20. — Figure 6. Cross‐sectional SEM image and elemental distribution mapping of Al and Cu elements for the (d) 27/20.

Figure 7. EPMA line scan analysis and identification of the IMCs for the (a) 23/20 and (b) 25/15.4.

Figure 8. TEM analysis for the 25/28.6. (a) Indicating the location of TEM analysis in SEM image of the welding zone. (b) TEM bright‐field image and SAED pattern insets, examined at the location (1) in figure (a), confirmed Al‐rich phase (white globular shape) and Al2Cu eutectic phase (gray region), and (c) TEM bright‐field image and SAED pattern inset of Al4Cu9, examined at the location (2) in figure (a).

Figure 9. Temperature profiles and molten pool flow on transverse cross‐section (y–z plane at x = 1.23 cm): (a) Negative surface tension gradient for the 23/20 (Case 1), (b) negative surface tension gradient for the 25/15.4 (Case 2), (c) positive surface tension gradient for the 25/15.4 (Case 3), and (d) without surface tension for the 25/15.4 (Case 4).

Figure 12. Results of the tensile shear tests for the (a) 23/20: fracture at the Al ribbon and (b) 25/15.4: fracture at the weld

Figure 13. Stress–strain curves obtained by the tensile shear tests.

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$Figure 1 (A) A schematic of ovarian cancer metastases involving tumor cells or clusters (yellow) shedding from a primary site and disseminating along ascitic currents of peritoneal fluid (green arrows) in the abdominal cavity. Ovarian cancer typically disseminates in four common abdomino-pelvic sites: (1) cul-de-sac (an extension of the peritoneal cavity between the rectum and back wall of the uterus); (2) right infracolic space (the apex formed by the termination of the small intestine of the small bowel mesentery at the ileocecal junction); (3) left infracolic space (superior site of the sigmoid colon); (4) Right paracolic gutter (communication between the upper and lower abdomen defined by the ascending colon and peritoneal wall). (B) The schematic of a perfusion model used to study the impact of sustained fluid flow on treatment resistance and molecular features of 3D ovarian cancer nodules (Top left). A side view of the perfusion model and growth of ovarian cancer nodules to a stromal bed (Top right). The photograph of a perfusion model used in the experiments (Bottom left) and depth-informed confocal imaging of ovarian cancer nodules in channels with and without carboplatin treatment (Bottom right). The perfusion model is 24 × 40 mm, with three channels that are 4 × 30 mm each and a height of 254 μm. The inlet and outlet ports of channels are 2.2 mm in diameter and positioned 5 mm from the edge of the chip. (C) A schematic of a 24-well plate model used to study the treatment resistance and molecular features of 3D ovarian cancer nodules under static conditions (without flow) (Top left). A side view of the static models and growth of ovarian cancer nodules on a stromal bed (Top right). Confocal imaging of 3D ovarian cancer nodules in a 24-well plate without and with carboplatin treatment (Bottom). Scale bars: 1 mm.$

Flow-induced Shear Stress Confers Resistance to Carboplatin in an Adherent Three-Dimensional Model for Ovarian Cancer: A Role for EGFR-Targeted Photoimmunotherapy Informed by Physical Stress

난소암에 대한 일관된 3차원 모델에서 카보플라틴에 대한 유동에 의한 전단응력변화에 관한 연구

Abstract

A key reason for the persistently grim statistics associated with metastatic ovarian cancer is resistance to conventional agents, including platinum-based chemotherapies. A major source of treatment failure is the high degree of genetic and molecular heterogeneity, which results from significant underlying genomic instability, as well as stromal and physical cues in the microenvironment. Ovarian cancer commonly disseminates via transcoelomic routes to distant sites, which is associated with the frequent production of malignant ascites, as well as the poorest prognosis. In addition to providing a cell and protein-rich environment for cancer growth and progression, ascitic fluid also confers physical stress on tumors. An understudied area in ovarian cancer research is the impact of fluid shear stress on treatment failure. Here, we investigate the effect of fluid shear stress on response to platinum-based chemotherapy and the modulation of molecular pathways associated with aggressive disease in a perfusion model for adherent 3D ovarian cancer nodules. Resistance to carboplatin is observed under flow with a concomitant increase in the expression and activation of the epidermal growth factor receptor (EGFR) as well as downstream signaling members mitogen-activated protein kinase/extracellular signal-regulated kinase (MEK) and extracellular signal-regulated kinase (ERK). The uptake of platinum by the 3D ovarian cancer nodules was significantly higher in flow cultures compared to static cultures. A downregulation of phospho-focal adhesion kinase (p-FAK), vinculin, and phospho-paxillin was observed following carboplatin treatment in both flow and static cultures. Interestingly, low-dose anti-EGFR photoimmunotherapy (PIT), a targeted photochemical modality, was found to be equally effective in ovarian tumors grown under flow and static conditions. These findings highlight the need to further develop PIT-based combinations that target the EGFR, and sensitize ovarian cancers to chemotherapy in the context of flow-induced shear stress.

전이성 난소 암과 관련된 지속적으로 암울한 통계의 주요 이유는 백금 기반 화학 요법을 포함한 기존 약제에 대한 내성 때문입니다. 치료 실패의 주요 원인은 높은 수준의 유전적 및 분자적 이질성이며, 이는 중요한 기본 게놈 불안정성과 미세 환경의 기질 및 물리적 단서로 인해 발생합니다.

난소 암은 흔히 transcoelomic 경로를 통해 먼 부위로 전파되며, 이는 악성 복수의 빈번한 생산과 가장 나쁜 예후와 관련이 있습니다. 암 성장 및 진행을위한 세포 및 단백질이 풍부한 환경을 제공하는 것 외에도 복수 액은 종양에 물리적 스트레스를 부여합니다. 난소 암 연구에서 잘 연구되지 않은 분야는 유체 전단 응력이 치료 실패에 미치는 영향입니다.

여기, 우리는 백금 기반 화학 요법에 대한 반응과 부착 3D 난소 암 결절에 대한 관류 모델에서 공격적인 질병과 관련된 분자 경로의 변조에 대한 유체 전단 응력의 효과를 조사합니다.

카르보플라틴에 대한 내성은 상피 성장 인자 수용체 (EGFR)의 발현 및 활성화의 수반되는 증가 뿐만 아니라 다운 스트림 신호 구성원인 미토겐 활성화 단백질 키나제/세포 외 신호 조절 키나제 (MEK) 및 세포 외 신호 조절과 함께 관찰됩니다. 키나아제 (ERK). 3D 난소 암 결절에 의한 백금 흡수는 정적 배양에 비해 유동 배양에서 상당히 높았습니다.

포스 포-포컬 접착 키나제 (p-FAK), 빈 쿨린 및 포스 포-팍 실린의 하향 조절은 유동 및 정적 배양 모두에서 카보 플 라틴 처리 후 관찰되었습니다. 흥미롭게도, 표적 광 화학적 양식 인 저용량 항 EGFR 광 면역 요법 (PIT)은 유동 및 정적 조건에서 성장한 난소 종양에서 똑같이 효과적인 것으로 밝혀졌습니다.

이러한 발견은 EGFR을 표적으로하는 PIT 기반 조합을 추가로 개발하고 흐름 유도 전단 응력의 맥락에서 화학 요법에 난소 암을 민감하게 할 필요성을 강조합니다.

Keywords: ovarian cancer, epidermal growth factor receptor (EGFR), mitogen-activated protein kinase/extracellular signal-regulated kinase (MEK), extracellular signal-regulated kinase (ERK), chemoresistance, fluid shear stress, ascites, perfusion model, photoimmunotherapy (PIT), photodynamic therapy (PDT), carboplatin

Figure 1 (A) A schematic of ovarian cancer metastases involving tumor cells or clusters (yellow) shedding from a primary site and disseminating along ascitic currents of peritoneal fluid (green arrows) in the abdominal cavity. Ovarian cancer typically disseminates in four common abdomino-pelvic sites: (1) cul-de-sac (an extension of the peritoneal cavity between the rectum and back wall of the uterus); (2) right infracolic space (the apex formed by the termination of the small intestine of the small bowel mesentery at the ileocecal junction); (3) left infracolic space (superior site of the sigmoid colon); (4) Right paracolic gutter (communication between the upper and lower abdomen defined by the ascending colon and peritoneal wall). (B) The schematic of a perfusion model used to study the impact of sustained fluid flow on treatment resistance and molecular features of 3D ovarian cancer nodules (Top left). A side view of the perfusion model and growth of ovarian cancer nodules to a stromal bed (Top right). The photograph of a perfusion model used in the experiments (Bottom left) and depth-informed confocal imaging of ovarian cancer nodules in channels with and without carboplatin treatment (Bottom right). The perfusion model is 24 × 40 mm, with three channels that are 4 × 30 mm each and a height of 254 μm. The inlet and outlet ports of channels are 2.2 mm in diameter and positioned 5 mm from the edge of the chip. (C) A schematic of a 24-well plate model used to study the treatment resistance and molecular features of 3D ovarian cancer nodules under static conditions (without flow) (Top left). A side view of the static models and growth of ovarian cancer nodules on a stromal bed (Top right). Confocal imaging of 3D ovarian cancer nodules in a 24-well plate without and with carboplatin treatment (Bottom). Scale bars: 1 mm.

Figure 2 (A) Geometry of the micronodule located at the center of the microchannel. The flow velocity is in the X-direction. The nodule is modeled as an ellipse with a semi-minor axis of 40 μm in the Z-direction. The semi-major axis varies from 40-100 μm in the X-direction. The section over which the fluid dynamics are studied is the middle part of the channel with dimensions 4 mm along the Y-axis and 250 μm along the Z-axis. The nodule is located at (0, 20 μm). The black dotted line shows the centerline of the largest nodule. (B) Shear stress distribution over the surface of the solid micro-nodule on the XZ-plane. (C) Shear stress distribution over the surface of the porous micro-nodule on the XZ-plane. (D) Flow flux distribution over the centerline of the porous micro-nodule on the XZ-plane. The flux enters the surface at the left and leaves at the right.

Figure 3 Cytotoxic response in carboplatin-treated 3D OVCAR-5 cultures under static conditions. (A) Representative confocal images of 3D tumors treated with carboplatin (0-500 μM) for 96 h showing a dose-dependent reduction in viable tumor (calcein signal). (B) Image-based quantification of normalized viable tumor area in 3D OVCAR-5 cultures following treatment with increasing doses of carboplatin. A minimum nodule size cut-off of 2000 µm2 (clusters of ~15–20 cells) was applied to the fluorescence images for quantitative analysis of the normalized viable tumor area. (One-way ANOVA with Dunnett’s post hoc test; n.s., not significant; * p < 0.05; *** p < 0.001; N = 9) (C) Inductively coupled plasma mass spectrometry (ICP-MS)-based quantification of carboplatin uptake in static 3D OVCAR-5 tumors shows a dose-dependent increase in platinum levels, up to 9774 ± 3,052 ng/mg protein at an incubation concentration of 500 μM carboplatin. (One-way ANOVA with Dunn’s multiple comparisons test; n.s., not significant; * p < 0.05; ** p < 0.01; N = 3). Results are expressed as mean ± standard error of mean (SEM). Scale bars: 500 μm.

Figure 5 The effects of flow-induced shear stress on 3D ovarian cancer biology. (A) Western blot analysis of OVCAR-5 tumors was performed 7 days after culture under static or flow conditions. A flow-induced increase in EGFR and p-ERK, compared to static cultures, was observed. Conversely, a reduction in p-FAK, p-Paxillin, and Vinculin was observed under flow, relative to static conditions. (B) Western blot analysis of 3D OVCAR-5 tumors was performed 11 days after culture under static or flow conditions, including 4 days of treatment with 500 µM carboplatin, and respective controls. In both static and flow 3D cultures, carboplatin treatment resulted in downregulation of EGFR, FAK, p-Paxillin, Paxillin, and Vinculin. Upregulation of p-ERK was observed after carboplatin treatment in both static and flow 3D cultures. (C) Baseline levels of EGFR activity and expression are maintained by a complex array of factors, including recycling and degradation of the activated receptor complex. Flow-induced shear stress has been shown to cause a posttranslational up-regulation of EGFR expression and activation, likely resulting from increased receptor recycling and decreased EGFR degradation. Activation of EGFR results in ERK phosphorylation to induce gene expression, ultimately leading to cell proliferation, survival, and chemoresistance. FAK and other tyrosine kinases are activated by the engagement of integrins with the ECM. Subsequent phosphorylation of paxillin by FAK not only influences the remodeling of the actin cytoskeleton, but also modulates vinculin activation to regulate mitogen-activated protein kinase (MAPK) cascades, thereby stimulating pro-survival gene expression.

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Continuous-Flow Separation of Magnetic Particles from Biofluids: How Does the Microdevice Geometry Determine the Separation Performance?

Cristina González Fernández,¹Jenifer Gómez Pastora,²Arantza Basauri,¹Marcos Fallanza,¹Eugenio Bringas,¹Jeffrey J. Chalmers,²and Inmaculada Ortiz¹,*
Author information Article notes Copyright and License information Disclaimer

생체 유체에서 자성 입자의 연속 흐름 분리 : 마이크로 장치 형상이 분리 성능을 어떻게 결정합니까?

Abstract

생체 유체에서 여러 화학 물질과 생체 분자의 검출 또는 분리를 위한 기능화된 자성 입자의 사용은 계속해서 상당한 관심을 받고 있습니다. 표적 물질과 함께 배양 한 후 비드는 자기적으로 회수되어 분석 또는 진단 테스트를 수행 할 수 있습니다.

연속 흐름 마이크로 장치에서 영구 자석을 사용한 입자 회수는 마이크로 유체의 여러 장점으로 인해 지난 10 년 동안 큰 관심을 모았습니다. 따라서 완전한 입자 포획을 달성하기 위한 자기 및 유체 조건을 결정하기 위해 많은 노력을 기울였습니다.

그러나 높은 입자 회수율과 유속을 동시에 제공하는 시스템을 설계하는데 있어 핵심이기는 하지만 시스템 성능에 대한 채널 형상의 영향에 대해서는 덜 주의를 기울였습니다.

여기에서 우리는 자기 비드가 혈액에서 분리되어 외부 자기장을 적용하여 버퍼 스트림으로 수집되는 Y-Y 모양의 마이크로 채널의 최적화를 다룹니다. 비드 회수 및 시스템 처리량에 대한 여러 기하학적 특징 (즉, 단면 형상, 두께, 길이 및 부피)의 영향을 연구합니다.

이를 위해 분리 중에 비드에 작용하는 지배적인 힘을 고려하는 실험적으로 검증된 CFD (Computational Fluid Dynamics) 수치 모델을 사용합니다.

우리의 결과는 직사각형의 긴 장치가 높은 입자 회수율과 높은 처리량을 제공하기 때문에 최고의 성능을 보여줍니다. 따라서 이 방법론은 자기 구동 정제, 농축 또는 분리를 위한 랩 온어 칩 장치의 합리적인 설계에 적용될 수 있습니다.

Keywords: particle magnetophoresis, CFD, cross section, chip fabrication

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Figure 2.6 ESI apparatus for offline analysis with microscope imaging.

MODELING AND CHARACTERIZATION OF MICROFABRICATED EMITTERS: IN PURSUIT OF IMPROVED ESI-MS PERFORMANCE

미세 가공 방사체의 모델링 및 특성화 : 개선된 ESI-MS 성능 추구

by XINYUN WU

A thesis submitted to the Department of Chemistry in conformity with the requirements for the degree of Master of Science Queen’s University Kingston, Ontario, Canada December, 2011 Copyright © Xinyun Wu, 2011

Abstract

ESI (Electrospray ionization)는 특히 탁월한 감도, 견고성 및 단순성으로 대형 생체 분자를 분석하는 데있어 질량 분석 (MS)에 매우 귀중한 기술이었습니다. ESI 기술 개발에 많은 노력을 기울였습니다. 그 형태와 기하학적 구조가 전기 분무 성능과 추가 MS 감지에 중추적 인 것으로 입증 되었기 때문입니다.

막힘 및 낮은 처리량을 포함하여 전통적인 단일 홀 이미터의 본질적인 문제는 기술의 적용 가능성을 제한합니다. 이 문제를 해결하기 위해 현재 프로젝트는 향상된 ESI-MS 분석을위한 다중 전자 분무(MES) 방출기를 개발하는데 초점을 맞추고 있습니다.

이 논문에서는 스프레이 전류 측정을 위한 전기 분무와 오프라인 전기 분무 실험을 위한 전산 유체 역학 (CFD) 시뮬레이션의 공동 작업이 수행되었습니다. 전기 분무 성능에 대한 다양한 이미터 설계의 영향을 테스트하기 위해 수치 시뮬레이션이 사용되었으며 실험실 결과는 가이드 및 검증으로 사용되었습니다.

CFD 코드는 Taylor-Melcher 누설 유전체 모델(LDM)을 기반으로 하며 과도 전기 분무 공정이 성공적으로 시뮬레이션되었습니다.

이 방법은 750 μm 내경 (i.d.) 이미 터를 통해 먼저 검증되었으며 20 μm i.d.에 추가로 적용되었습니다. 모델. 전기 분무 공정의 여러 단계가 시각적으로 시연되었으며 다양한 적용 전기장 및 유속에서 분무 전류의 변화에 대한 정량적 조사는 이전 시뮬레이션 및 측정과 잘 일치합니다.

단일 조리개 프로토 타입을 기반으로 2 홀 및 3 홀 이미터로 MES 시뮬레이션을 수행했습니다. 시뮬레이션 예측은 실험 결과와 유사하게 비교되었습니다. 이 작업의 증거는 CFD 시뮬레이션이 MES의 이미 터 설계를 테스트하는 효과적인 수치 도구로 사용될 수 있음을 입증했습니다.

이 작업에서 달성 된 마이크로 스케일 에미 터 전기 분무의 성공적인 시뮬레이션에 대한 벤치마킹 결과는 현재까지 발표 된 전기 분무에 대한 동적 시뮬레이션의 가장 작은 규모로 여겨집니다.

Co-Authorship

공동 저자: 이 논문에 대한 모든 연구는 Natalie M. Cann 박사와 Richard D. Oleschuk 박사의 지도하에 완료되었습니다. 다중 전자 분무에 관한 4 장에서 제시된 연구 작업의 일부는 Ramin Wright가 공동 저술했으며, 이 작업은 press에서 다음 논문에서 인용되었습니다.

ibson,G.T.T.; Wright, R.D.; Oleschuk, R.D. Multiple electrosprays generated from a single poly carbonate microstructured fibre. Journal of Mass Spectrometry, 2011, in press.

Chapter 1 Introduction

소프트 이온화 방법으로 ESI (electrospray ionization)의 도입은 질량 분석법 (MS)의 적용 가능성에 혁명을 일으켰습니다. 이 기술의 부드러운 특징은 상대적으로 높은 전하를 가진 이온을 생성하는 고유한 이점으로 인해 액상에서 직접 펩티드 및 단백질과 같은 큰 생체 분자를 분석 할 수 있게했습니다 [1].

지난 10 년 동안 ESI-MS는 놀라운 성장을 보였으며 현재는 단백질 체학, 대사 체학, 글리코 믹스, 합성 화학자를 위한 식별 도구 등 다양한 생화학 분야에서 광범위하게 채택되고 있습니다 [2-3].

ESI-MS는 겔 전기 영동과 같은 생물학적 분자에 대한 기존의 질량 측정 기술보다 훨씬 빠르고 민감하며 정확합니다. 또한, 액체상에서 직접 분석 할 수 있는 큰 비 휘발성 분자의 능력은 고성능 액체 크로마토 그래피 (HPLC) 및 모세관 전기 영동 (CE)과 같은 업스트림 분리 기술과의 결합을 가능하게합니다 [4].

일반적인 ESI 공정은 일반적으로 액적 형성, 액적 수축 및 기상 이온의 최종 형성을 포함합니다. 일렉트로 스프레이의 성능에 영향을 미치는 많은 요소 중에서 스프레이를 위한 이미터의 구조 (즉, 기하학, 모양 등)가 중요한 요소입니다.

전통적인 전기 분무 이미터는 일반적으로 풀링 또는 에칭 기술로 제작 된 단일 채널 테이퍼 형 또는 비 테이퍼 형입니다. 그러나 이러한 이미터는 종종 막힘, 부적절한 처리량 등과 같은 문제로 어려움을 겪습니다. [5]

향상된 감도 및 샘플 활용을 위해 다중 스프레이를 생성하는 새로운 이미터 설계 개발로 분명한 발전이 있었습니다. 새로운 ESI 이미터 설계에 대한 연구는 실험적으로나 이론적으로 큰 관심을 불러 일으켰습니다 [3]. 그러나 ESI의 복잡한 물리적 과정은 팁 형상 외에도 많은 다른 변수에 의존하기 때문에 연구간 직접 비교의 어려움은 장애물이 됩니다.

또한 새로운 나노 이미터 제조 및 테스트 비용이 상당히 높을 수 있습니다. 이 논문은 CFD 시뮬레이션 도구를 활용하여 가상 랩을 설정함으로써 이러한 문제를 해결합니다. 다른 매개 변수로 인해 상호 연결된 변경 없이 다양한 이미터 설계를 비교할 수 있도록 이상적으로 균일한 물리적 조건을 제공합니다.

맞춤 제작된 프로토 타입의 실험 측정 값도 수집되어 더 나은 계산 체계를 형성하는 데 도움이 되는 지침과 검증을 모두 제공합니다. 특히 이 분야의 주요 미래 플랫폼으로 여겨지는 다중 노즐 이미 터 설계에 중점을 둘 것입니다.

전기 분무 거동에 영향을 미치는 요인에 대한 추가 기본 연구는 다양한 기하학적 및 작동 매개 변수와 관련하여 수행됩니다. 이는 보다 효율적이고 견고한 이미터의 개발을 가능하게 할 뿐만 아니라 더 넓은 영역에서 ESI의 적용을 향상시킬 수 있습니다.

Figure 1.1Schematic setup for ESI-MS technique

Figure 1.2 Schematic of major processes occurring in electrospray [5].

Figure 1.3 Illustration of detailed geometric parameters of a spraying Taylor cone wherera is the radius of curvature of the best fitting circle at the tip of the cone; re is the radius of the emission region for droplets at the tip of a Taylor cone;is the liquid cone angle.

Figure 1.4 (A)Externally tapered emitter (B) Optical image of a clogged tapered emitter with normal use [46].

Figure 1.5 (A)Three by three configuration of an emitter array made with polycarbonate using laser ablation; (B) Photomicrograph of nine stable electrosprays generated from the nine-emitter array [52]

Figure 1.6 SEM images of the distal ends of four multichannel nanoelectrospray emitters and a tapered emitter: (A) 30 orifice emitter; (B) 54 orifice emitter; (C) 84 orifice emitter; (D) 168 orifice emitter; Scale bars in A, B, and C represent 50 μm, and 100 μm in D[54]

Figure 1.7 Photomicrographs of electrospray from of a 168-hole MCN emitter at different flow rates. (A) A traditional integrated Taylor cone observed from offline electrospray of water with 0.1% formic acid at 300 nL/min; (B) A mist of coalesced Taylor cones observed from offline electrospray at 25 nL/min[54]

Figure 1.8 Circular arrays of etched emitters for better electric field homogeneity [53].

Figure 3.9 Typical panel for displaying instant simulation result during simulation process.

Figure 5.3 Generation of a Taylor cone-jet mode (simulation) plotted with iso-potential lines at times (Top to bottom panels correspond to 0.002 s, 0.012 s, 0.018 s, 0.08 s respectively).

Figure 5.8 (A) Taylor cone-jet profiles with different contact angle of 30 degrees and 20 degrees (B) under the same physical conditions of 6 kV and 0.04 m/s. (C) Cone-jet profile generated from a tapered tip with a 20 degree contact angle at 6 kV and 0.04 m/s (as a comparison with (B)).

Omit below: Please refer to the original text for the full content.

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원문 바로 가기

Figure 9: Predicted three-dimensional spreading splats for a 90 µm diameter Nylon-11 droplet.

Effect of Substrate Roughness on Splatting Behavior of HVOF Sprayed Polymer Particles: Modeling and Experiments

International Thermal Spray Conference – ITSC-2006
Seattle, Washington, U.S.A., May 2006

M. Ivosevic, V. Gupta, R. A. Cairncross, T. E. Twardowski, R. Knight,
Drexel University, Philadelphia, Pennsylvania, USA
J. A. Baldoni
Duke University, North Carolina, USA

Abstract

거친 표면에 대한 입자 충격 및 변형의 3 차원 모델이 HVOF 스프레이 폴리머 입자에 대해 개발되었습니다. 유체 흐름 및 입자 변형은 FLOW-3D® 소프트웨어를 사용하는 유체 부피 (VoF) 방법으로 예측되었습니다. 스플래팅(splatting) 및 최종 스플랫 모양(splat shapes)의 역학에 대한 거칠기의 영향은 몇 가지 프로토타입 거친 표면을 사용하여 탐색 되었습니다 (예: 단계와 그루브)

또한 실제 그릿 블라스팅(grit blasted)된 강철 표면의 광학 간섭 측정에 의해 생성된 보다 사실적인 거친 표면의 수치 표현도 모델에 통합되었습니다. 예측된 스플랫 모양을 그릿 블라스팅 된 강철 기판에 증착된 나일론 11 스플랫의 SEM 이미지와 비교했습니다. 거친 기판은 부드러운 기판의 스플래팅 시뮬레이션에서 거의 관찰되지 않는 손가락 및 기타 비대칭 3 차원 불안정성을 생성했습니다.

Introduction

기판 거칠기가 용사 코팅의 접착력과 접착력을 향상 시킨다는 사실은 잘 알려져 있으며 일반적으로 받아 들여지고 있습니다 [1]. 스프레이하기 전에 기판 표면은 일반적으로 알루미나 또는 SiC와 같은 50 – 300 µm 각 세라믹 입자로 그릿 블라스팅으로 거칠게 처리됩니다.

기판 표면에 증착된 초기 스플랫의 형태는 코팅 / 기판 인터페이스의 무결성과 결과 코팅의 접착 강도에 중요한 역할을합니다. 단단하고 불규칙한 표면에 대한 열 스프레이 액적의 충격 및 변형은 액적 표면의 복잡한 대규모 3 차원 변형이 특징입니다.

충돌하는 물방울의 “스플래싱”이 발생하는 경우, 운지법 또는 위성 입자 생성 및 분리 중 새로운 표면 생성은 일반적으로 축 대칭이 아니므로 사실적인 splat 예측을 위해 3 차원 모델이 필요합니다. 이것은 정확한 3 차원 스플래팅 모델의 개발에 많은 수치적 도전을 야기합니다.

Fauchais et al. [2]는 스플랫 형성 과정과 관련하여 발표 된 논문의 대부분 (~ 98 %)이 매끄러운 표면에 대한 정상적인 액적 충격을 설명한다고보고했습니다. 게시된 작업의 2 % 미만은 매끄러운 표면에 대한 비정상적인 입자 영향과 관련이 있으며 ~ 0.1 %만이 거친 기판과 관련됩니다.

여러 저자 [3, 4]는 2 차원 모델을 사용하여 비평면 표면과 물방울의 상호 작용을 연구했거나 평행 그루브가 있는 표면에 대한 3 차원 충격 [5]을 연구했습니다. 그러나 이 접근법의 주요 단점은 거친 표면에 스플래팅의 비축 대칭 측면을 연구합니다.

최근 Raessi et al. [6] 이전에 개발된 VoF 모델 [7]을 확장하여 평평한 기판에 액적 스플래팅을 프로토 타입 거친 표면과 액적 상호 작용으로 확장했습니다. 표면 거칠기는 규칙적으로 정렬 된 정사각형 블록으로 근사화 되었습니다. Feng et al. [8]은 평평한 표면의 마찰 조건에 의해 표면 거칠기가 근사된 3 차원 Lagrangian 유한 요소 모델을 사용했습니다.

이 접근 방식은 소규모 점성 및 축 대칭 자유 표면 흐름과 관련하여 매우 정확할 수 있지만 fingering 생성 또는 satellites 생성 및 breakups 중 새로운 표면 생성과 관련된 물방울이 튀기는 경계 맞춤 기술에 적합하지 않습니다.

또한, 열 분무에 사용되는 그릿 블라스팅 표면의 평균 표면 거칠기 (Ra)는 일반적으로 50μm의 평균 액적 크기에 비해 ~ 5 ~ 30 % (~ 2 ~ 15μm)입니다. 평평한 표면에 간단한 마찰 흐름.

본 연구의 목표는 임의의 거친 기질에 영향을 미치는 HVOF 분무 중합체 입자의 모델을 개발하는 것이다. 매끄럽지 않은 표면에 대한 입자 분할 모델은 표면의 기하학적 불규칙성이 분할 거동과 최종 분할 형태에 어떻게 영향을 미치는지 더 잘 이해할 수 있게 해줄 것입니다.

HVOF 제트에서 미크론 크기의 공급 원료 입자로의 강제 대류는 높은 대류 열 전달 계수 (h ~ 5000 – 17,000 W / (m2 K))를 특징으로 합니다. 이로 인해 입자 표면 온도가 급격히 증가하지만 폴리머 입자의 높은 내부 열 저항 (높은 Bi 수)은 입자 내부가 동일한 속도로 가열되는 것을 방지합니다. 결과적으로 더 큰 (예 : 90 µm 직경) 나일론 11 입자는 기판에 충격을 주기 전에 코어와 표면 사이에 급격한 온도 구배를 나타냅니다 (그림 1) [9, 10, 11].

Figure 1: Temperature of a 90 µm diameter Nylon 11 particle with respect to normalized particle radius (r/R) [10].

Figure 2: (a) Velocity field within a spreading 90 µm diameter particle; (Left): velocity magnitude, (Right): velocity vectors, (b) example Nylon 11 splat deposited via swipe test onto a room temperature glass slide.

또한 가파른 내부 온도 구배를 가진 HVOF 스프레이 폴리머 입자가 얇은 디스크 중앙에 크고 거의 반구형 인 코어가있는 특징적인 “튀김 달걀”모양으로 퍼졌다고 보고되었습니다 [10]. 이 모양은 저온, 고점도 코어와 고온, 저점도 표면의 유동 특성 간에 큰 방사형 차이가 있음을 나타냅니다.

변형된 입자의 예측 된 모양 (그림 2a)은 유리 슬라이드에 증착된 실험적으로 관찰 된 스플랫과 좋은 질적 일치를 나타 냈습니다 (그림 2b). 액적의 오른쪽에 표시된 속도 장 벡터 (그림 2a)는 저점도 “피부”가 고점도 코어 주위를 흐르면서 특징적인 “튀김 달걀” splat 모양이 형성되었음을 나타냅니다.

이 작업에서 보고된 실험 중에 사용된 HVOF 스프레이 매개 변수는 나일론 11을 증착하는데 사용할 수 있는 일반적인 HVOF 스프레이 매개 변수를 나타냅니다. 그러나 실험 기준 매개 변수를 중심으로 개발된 수치 모델은 개별 스플랫의 흐름 거동을 더 잘 이해하는 데 사용할 수 있습니다. 증착 효율 향상을 위한 공정 최적화를 지원합니다.

Figure 3: Boundary conditions, initial conditions and crosssection of a typical mesh used in Flow-3D

Figure 5: Cross section of four steel substrates: (a) polished with ~1 Pm alumina suspension, (b) grit blasted with #120 grit, (c) grit blasted with #50 grit, (d) grit blasted with #12 grit. Top image shows optical interferometry scan of # 120 grit blasted surface.

Figure 6: Nylon-11 splats deposited during a single run over steel substrates with roughnesses as per Figure 5.

Figure 7: Nylon-11 splat on a grit blasted steel substrate, (a) close up of a peripheral splat finger.

Figure 8: Cross-sections of predicted three-dimensional spreading splats for a 90 µm diameter Nylon-11 particle on four different surface roughnesses (dimensionless time t* = t/(D/v o (p))).

중략…….

논문 원문 바로가기

References

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Powder Particles during Thermal Spraying, Journal of Thermal Spray Technology 5(2), pp. 207 – 214, (1996).
5 Patanker, N. A. and Chen, Y., Numerical Simulation of Droplet Shapes on Rough Surfaces, Proc. Int. Conference
on Modeling and Simulations of Microsystems – MSM 2002, pp. 116 – 119, (2002)
6 Raessi, M., Mostaghimi, J. and Bussmann, M., “Droplet Impact during the Plasma Spray Coating Process-Effect of
Surface Roughness on Splat Shapes,” Proc. 17th Int. Symposium on Plasma Chemistry – ISPC 17, Toronto,
Canada, (2005)
7 Pasandideh-Fard, M., Chandra, S. and Mostaghimi, J., A Three-dimensional Model of Droplet Impact and
Solidification, Int. J. Heat and Mass Transfer, 45, pp. 2229 – 2242, (2002).
8 Feng, Z. G., Domaszewski, M., Montavon, G. and Coddet, C., Finite Element Analysis of Effect of Substrate Surface
Roughness on Liquid Droplet Impact and Flattening Process, J. of Thermal Spray Technology, 11(1), pp. 62-68,
(2002).
9 Petrovicova, E., “Structure and Properties of Polymer Nanocomposite Coatings Applied by the HVOF Process,”
Ph.D. Dissertation, Drexel University, (1999).
10 Ivosevic, M., Cairncross, R. A., Knight, R., Impact Modeling of Thermally Sprayed Polymer Particles, Proc.
ITSC-2005 International Thermal Spray Conference, DVS/IIW/ASM-TSS, Basel, Switzerland, (2005).
11 Bao, Y., Gawne, D. T. and Zhang, T., The Effect of Feedstock Particle Size on the Heat transfer Rates and
Properties of Thermally Sprayed Polymer Coatings, Trans. I. M. F., 73(4), pp 119 – 124, (1998).
12 Ivosevic, M., Cairncross, R. A. and Knight, R., “Heating and Impact Modeling of HVOF Sprayed Polymer
Particles,” Proc. 2004 International Thermal Spray Conference (ITSC-2004), DVS/IIW/ASM-TSS, Osaka,
Japan, (2004).
13 Hirt, C. W. and Nichols, B. D., Volume of Fluid (VoF) Method for the Dynamics of Free Boundaries, Journal of
Computational Physics, 39, pp. 201 – 225, (1981).

Modeling and characterization of a carbon fiber emitter for electrospray ionization

A K Sen1, J Darabi1, D R Knapp2 and J Liu2
1 MEMS and Microsystems Laboratory, Department of Mechanical Engineering,
University of South Carolina, 300 Main Street, Columbia, SC 29208, USA
2 Department of Pharmacology, Medical University of South Carolina, 173 Ashley Avenue,
Charleston, SC 29425, USA
E-mail: darabi@engr.sc.edu

뾰족한 탄소 섬유(CF)를 사용하는 새로운 마이크로 스케일 이미터는 질량 분석 (MS) 분석에서 전기 분무에 사용할 수 있습니다. 탄소 섬유는 360 µm OD 및 75 µm ID의 용융 실리카 모세관과 동축에 위치하며 날카로운 팁은 튜브 말단에서 30 µm 연장됩니다.

Abstract

전기 분무 이온화 (ESI) 프로세스는 전기 유체 역학을 해결하기 위한 Taylor–Melcher 누설 유전체 유체 모델 및 액체-가스 인터페이스 추적을 위한 유체 부피 (VOF) 접근 방식을 기반으로 하는 전산 유체 역학 (CFD) 코드를 사용하여 시뮬레이션 됩니다. CFD 코드는 먼저 기존 지오메트리에 대해 검증한 다음 CF 이미터 기반 ESI 모델을 시뮬레이션하는데 사용됩니다.

시뮬레이션된 전류 흐름 및 전류 전압 결과는 CF 이미터의 실험 결과와 잘 일치합니다. 이미터 형상, 전위차, 유속 및 액체의 물리적 특성이 CF 이미터의 전기 분무 거동에 미치는 영향을 철저히 조사합니다.

스프레이 전류와 제트 직경은 액체의 유속, 전위차 및 물리적 특성과 상관 관계가 있으며 상관 결과는 문헌에 보고된 결과와 정량적으로 비교됩니다. (이 기사의 일부 그림은 전자 버전에서만 색상입니다)

Introduction

1980 년대 후반부터 매트릭스 보조 레이저 탈착 이온화 (MALDI)와 전기 분무 이온화 (ESI)의 두 가지 이온화 기술을 구현하여 감도, 속도 및 구조 정보 수준 측면에서 MS 분석이 엄청나게 성장했습니다. 1980 년대 초까지 전자 충격 (EI) 또는 화학 이온화 (CI) 방법은 가스 크로마토 그래피에 적합한 작은 생체 분자를 이온화 하는 데 사용되었습니다.

그러나 크고 열에 민감한 비 휘발성 샘플은 적절한 사전 처리 없이 EI 또는 CI-MS 기술로 분석 할 수 없습니다 [1]. ESI 기술을 사용하면 액체상에서 직접 이러한 큰 분자를 분석 할 수 있습니다 [2]. Zeleny [3, 4]는 출구에 높은 전위를 적용하여 모세관에서 액체 용액을 분사 할 수 있음을 보여주었습니다.

Dole [5, 6] 및 Fenn [7]의 선구적인 연구는 ESI를 고분자 및 생체 분자와 같은 대형 화합물의 이온화 방법으로 표시했습니다. 이에 이어이 기술에 의한 기상 이온 발생에 관련된 과정과 메커니즘이 널리 조사되고 있습니다.

ESI 방법에서 기체 이온화 된 분자는 강한 전계가 있는 상태에서 미세한 물방울을 생성하여 액체 용액에서 생성됩니다. ESI 프로세스의 이러한 능력은 단백질 및 기타 생체 분자 연구에 자연적으로 적용됨을 발견했습니다. ESI 방법과 관련된 다양한 프로세스가 그림 1에 나와 있습니다.

ESI 전위는 일반적으로 전도성 물질로 코팅 된 이미 터 튜브를 통해 외부에서 샘플 액체에 적용되지만 액체 샘플 내부에 적용될 수도 있습니다. Herring과 Qin [8]은 이미 터 팁에 삽입된 팔라듐 와이어를 통해 전기 분무 전위가 적용되는 모세관 전기 영동 (CE)을위한 ESI 인터페이스를 보여주었습니다.

Chiou의 설계 [9]에서는 작은 PDMS 칩에 있는 샘플 저장소, 마이크로 채널 및 실리카 모세관 노즐과 통합 된 내장 전극을 통해 전기 분무를 위한 고전압이 적용되었습니다.

Cao and Moini [10]는 ESI 전압이 모세관 내부에 위치한 전극을 통해인가되고 전기적 접촉이 출구 근처 모세관 벽의 작은 구멍을 통해 유지되는 전기 분무 방출기를 설계했습니다. 작은 모세관 직경 (~ 10 µm)을 가진 이미 터를 사용하여 낮은 전압에서 전기 분무가 가능하지만, 더 작은 구멍은 과도한 배압으로 인해 쉽게 막힐 수 있습니다.

직경이 더 큰 (> 50µm) 이미 터를 처리하는 것이 더 쉽습니다. 그러나 그들은 더 작은 직경의 이미 터만큼 효율적이지 않습니다 [11]. 일반적으로 ESI 전압을 적용하기 위해 유리 또는 용융 실리카와 같은 절연 재료로 제작 된 저 유량 이미 터의 외주에 전도성 코팅이 적용됩니다.

용융 실리카 모세관의 끝 부분에있는 스퍼터 코팅 된 귀금속 층은 내구성에 빠르게 영향을 미치는 것으로 관찰되었습니다. 코팅의 빠른 열화는 방전, 전기 화학적 반응 및 층과 용융 실리카 표면 사이의 불량한 기계적 결합으로 인해 발생할 수 있습니다.

이러한 에미 터의 수명은 스퍼터 코팅 후에 금을 전기 도금하거나 [12] 스퍼터 코팅 된 금 위에 SiOx를 코팅하여 증가시킬 수 있습니다 [13]. 크롬 또는 니켈 합금의 접착층 위에 금으로 코팅 된 이미 터는 우수한 결합력을 제공 할 수 있으며 음극으로 작동 할 때 내구성이 있습니다.

그러나 양극으로 작동하는 동안 접착층은 금 막을 통해 화학적으로 용해됩니다. 이미 터의 안정성과 내구성을 향상시키기 위해 대체 전도성 코팅이 평가되었습니다.

안정적인 ESI 작동을 위해 콜로이드 흑연 코팅 이미 터가 사용되었으며 수명이 길었습니다 [14]. 폴리아닐린 (PANI) 코팅 이미 터는 두꺼운 코팅으로 인해 높은 내구성을 보여주고 방전에 강합니다. PANIcoated와 gold-coated nanospray emitter의 electrospray ionization 거동을 비교 한 결과 PANIcoated emitter는 goldcoated emitter와 비슷한 향상된 감도를 제공합니다 [15].

그라파이트-폴리이 미드 혼합물은 또한 무 접착 전기 분무 방출기의 경우 전도성 코팅으로 사용되었습니다. 전도성 코팅의 안정성은 산화 스트레스 동안 좋은 성능을 나타내는 전기 화학적 방법에 의해 조사되었습니다 [16].

탄소 코팅 이미 터의 기능은 마이크로 스프레이 및 시스리스 CE 및 ESI 응용 분야에서 입증되었습니다. 이 이미 터는 견고하지는 않지만 방수가 되지 않는 CE 또는 ESI 애플리케이션에 충분히 내구성이있었습니다 [17].

우리는 막힘 문제를 제거하고 시료 액체와 금층 사이의 접촉 문제를 피할 수있는 뾰족한 탄소 섬유 기반의 새로운 ESI 방출기를 도입하여 ESI 시스템의 적용 성, 신뢰성 및 내구성을 향상 시켰습니다 [18]. 이 작업에서 탄소 섬유 기반 ESI 이미 터는 전산 유체 역학 (CFD) 소프트웨어 패키지 FLOW-3D [19]를 사용하여 시뮬레이션됩니다.

실험은 새로운 CF 이미 터를 사용하여 수행됩니다. 모델 예측은 실험 결과와 비교됩니다. 새로운 이미 터의 ESI 성능은 이미 터의 기하학적 구조, 유속, 액체의 물리적 특성과 같은 다양한 매개 변수에 대한 반응을 연구하여 평가됩니다.

스프레이 전류 및 제트 직경은 유량 및 액체의 특성과 상관 관계가 있으며 상관 결과는 문헌에보고 된 결과와 정량적으로 비교됩니다. 다음 섹션에서 ESI 공정을 지배하는 전기 유체 역학 이론은 Taylor–Melcher 누설 유전체 모델 [20]을 참조하여 설명됩니다.

그런 다음 Hartman 등이 사용하는 ESI 구성을 고려하여 CFD 코드의 유효성을 확인합니다 [21]. 또한 CF 기반 ESI 모델에 대한 시뮬레이션 및 실험 결과가 제시되고 논의됩니다. 마지막으로 모수 연구 결과와 상관 관계를 제시하고 논의합니다.

Figure 3. Schematic of the ESI model studied by Hartman et al [21].

Figure 6. Cone-Jet profile and the electric potential contours at 19 kV; cone length is 4.3 mm.

Figure 7. A photograph of the experimental cone shape; cone length is 4.2 ± 0.2 mm [21].

Figure 15. Electric field contours at various time steps

Figure 20. Top: image of electrospray, bottom: cone-jet profile using the CF emitter. Distance between the carbon fiber tip and the counter electrode is 4.0 mm, potential difference is 3500 V, flow rate is 300 nL min−1 .

원문 보기 바로 가기

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Fig. 7. Simulation results of temperature distribution between Ni stamps and PBO-SAM/PMMA substrate in NIL process: (A) stamp cross-sectional, (B) PMMA substrate cross-sectional, (C) 3-dimensional and (D) intrinsic 3-dimensional views, respectively. The study of computed condition in nanoimprint process is at 150 o C and 50 bar during 10 min. Note that for NIL experimental parameters, the simulated results have already decided before doing nanoimprint experiment.

A non-fluorine mold release agent for Ni stamp in nanoimprint process

Tien-Li Chang a,*, Jung-Chang Wang b
, Chun-Chi Chen c
, Ya-Wei Lee d
, Ta-Hsin Chou a
a Mechanical and Systems Research Laboratories, Industrial Technology Research Institute, Rm. 125, Building 22, 195 Section 4, Chung Hsing Road, Chutung, Hsinchu 310, Taiwan, ROC bDepartment of Manufacturing Research and Development, ADDA Corporation, Taiwan
cNational Nano Device Laboratories, Taiwan
d Research and Development Division, Ordnance Readiness Development Center, Taiwan

Abstract

이 연구는 나노 임프린트 공정에서 Ni 몰드 스탬프와 PMMA (폴리 메틸 메타 크릴 레이트) 기판 사이의 접착 방지 층으로서 새로운 재료를 제시합니다. 폴리 벤족 사진 ((6,6′-bis (2,3-dihydro3-methyl-4H-1,3-benzoxazinyl))) 분자 자기 조립 단층 (PBO-SAM)은 점착 방지 코팅제로 간주되어 불소 함유 화합물은 Ni / PMMA 기판의 나노 임프린트 공정을 개선 할 수 있습니다. 이 작업에서 나노 구조 기반 Ni 스탬프와 각인 된 PMMA 몰드는 각각 전자빔 석판화 (EBL)와 수제 나노 임프린트 장비에 의해 수행됩니다. 제작 된 나노 패턴의 형성을 제어하기 위해 시뮬레이션은 HEL (hot embossing lithography) 공정 동안 PBO-SAM / PMMA 기판의 변형에 대한 온도 분포의 영향을 분석 할 수 있습니다. 여기서 기둥 패턴의 직경은 Ni 스탬프 표면에 200nm 및 400nm 피치입니다. 이 적합성 조건에서 소수성 PBO-SAM 표면을 기반으로하여 Ni 몰드 스탬프의 결과는 품질 및 수량 제어에서 90 % 이상의 개선을 추론합니다.

Introduction

나노 임프린트 리소그래피 (NIL)는 초 미세 패터닝 기판 기술을 대량 생산할 수있는 가장 큰 잠재력입니다 [1,2]. 최근에는 광전자 장치 [3], 양자 컴퓨팅 장치 [4], 바이오 센서 [5] 및 전자 장치 [6]에 요구 될 수있는 NEMS / MEMS 기술의 빠른 개발이 이루어지고 있습니다.

따라서 기존의 포토 리소 그래프는 할당에 적합한 방법이 아닐 수 있습니다 [7]. X 선, 이온빔, 전자빔 리소그래피의 경우 LCD의 도광판 초박막 판과 같은 대 면적 패턴 제작에 적합하지 않습니다. 제어하기 어렵습니다. 일부 제작된 문제를 기반으로 NIL 프로세스는 재료, 패턴 크기, 구조 및 기판 지형면에서 유연성을 제공합니다 [8].

오늘날 NIL 제조 방법은 낮은 비용과 높은 처리량의 높은 패터닝 해상도의 조합으로 학제 간 나노 스케일 연구 및 상용 제품의 새로운 문을 열 수 있는 큰 관심을 받고 있습니다. 그러나 이 나노 임프린트 기술이 산업 규모 공정을 위해 충분히 성숙하기 전에 몇 가지 응용 문제를 해결해야 합니다.

각인된 몰드 공정은 종종 고온 (폴리머의 유리 전이 온도에 대해> 100oC)과 고압 (> 100bar)에서 수행되기 때문에 분명히 바람직하지 않습니다. 가열 및 냉각 공정의 열주기는 금형 및 각인 된 기판의 왜곡을 유발할 수 있습니다. 한 가지 특별한 문제는 스탬프와 폴리머 사이의 접착 방지 층 처리를 제어하여 기계적 결함이 임프린트 품질과 스탬프 수명에 영향을 미칠 수있는 중요한 패턴 결함이되는 것을 방지하는 것입니다.

Schift et al. 플루오르화 트리클로로 실란을 마이크로 미터 체제에서 실리콘에 대한 접착 방지 코팅으로 사용하는 것으로 입증되었습니다 [9]. 또한 Park et al. Ni 몰드 스탬프에 더 나은 접착 방지 코팅 공정을 달성하기 위해 불소화 실란제를 사용했습니다 [10].

그러나 지금까지 Ni 스탬프에 대한 접착 방지 코팅 처리의 NIL 공정에서 비 불소 물질에 대한 시도는 거의 이루어지지 않았습니다. 우리의 생활 환경은 그것을 유지하기 위해 불소가 아닌 물질이 필요합니다. 또한 Ni 계 소재의 부드러운 특성을 바탕으로 가장 중요한 롤러 나노 임프린트 기술을 개발할 수 있습니다.

본 연구의 목적은 Ni 스탬프와 PMMA 기판 사이의 점착 방지 코팅제로 PBO-SAM을 개발하여 나노 제조 기술, 즉 NIL을 향상시키는 것입니다.

Experiment

먼저 4,4′- 이소 프로필 리 덴디 페놀 (비스페놀 -A, BA-m), 포름 알데히드 및 메틸 아민을 반응시켜 폴리 벤족 사진을 제조 하였다. 미국 Aldrich Chemical company, Inc.에서 구입 한 모든 화학 물질. 합성 과정에서 포름 알데히드/디 옥산 및 메틸 아민 / 디 옥산 물질을 10 ^o C에서 항아리에서 10분 동안 측정하는 벤족 사진 단량체가 필요했습니다.

디 에틸 에테르를 기화시킨 후, 벤족 사진 전구체가 완성되었다. benzoxazine 전구체를 140 ^oC에서 1 시간 동안 가열하면 BA-m 폴리 벤족 사진을 얻을 수 있습니다. 다음으로 4 인치입니다.

이 연구에서는 p 형 Si (10 0) 웨이퍼를 사용할 수 있습니다. SiO2 기반 Ni (원자량 5.87g / mole) 기판의 제조를 위해 Ti (5nm) 및 SiO2 (20nm)를 순차적으로 증착 한 후 O2- 플라즈마 처리를 수행했습니다. Ni 기판과 SiO2 층 사이의 접착력을 높이기 위해 Ti 중간층이 사용되었습니다. 아세톤, 이소프로판올 및 탈 이온수를 사용하여 세척 한 후 샘플을 포토 레지스트 (ZEP520A-7, Nippon Zeon Co., Ltd.)로 스핀 코팅했습니다.

Fig. 1. Schematic diagram of nanostructures using NIL process: (A) EBL equipment for fabricated mold stamp. (B) HEL equipment for nanoimprint pattern with computer controlled electronics. (C) A nickel-based pillar mold can imprint into a PBO-SAM polymer resist layer; afterward, the mold removal and pattern transfer are based on anisotropic etching to remove reside.

마스터 몰드는 그림 1 (A)에서 Ni 필름의 반응성 이온 에칭 (RIE)과 함께 Crestec CABL8210 전자 빔 직접 쓰기 도구 (30 keV, 100 pA)를 사용하여 제작되었습니다. 그런 다음 시뮬레이션된 결과는 NIL 프로세스에서 엠보싱 압력으로 기계적 고장의 효과를 제공할 수 있으며, 이는 우리가 원하는 나노 패턴 설계 및 연구에 도움이 될 수 있습니다.

PBOSAM / PMMA 기판 모델의 변형은 3 차원 접근법에 기반한 유한 체적 방법 (FVM)을 통해 예측할 수 있습니다. Navier-Stokes 방정식 [11]에서 압력과 속도 사이의 결합은 SIMPLE 알고리즘을 사용하여 이루어집니다. 2 차 상향 이산화 방식은 대류 플럭스 및 운동량의 확산 플럭스, 유체의 질량 분율에 대한 중심 차이 방식에 대해 구현됩니다. 완화 부족 요인의 일반적인 값은 0.5입니다.

수렴 기준이 1105로 설정된 연속성을 제외한 모든 변수에 대해 잔차가 1103 미만인 경우 솔루션이 수렴된 것으로 간주됩니다. 여기서 각인된 나노 패턴은 그림 1 (B)와 같이 수제 장비에서 수행한 HEL 공정을 통해 사용할 수 있습니다. PBO-SAM 코팅 방법으로 HEL 절차를 활용 한 나노 패턴의 제작은 그림 1 (C)에 개략적으로 표시되었습니다.

200nm의 얇은 PMMA 필름 (분자량 15kg / mole)을 SiO2 기판에 스핀 코팅 한 후 160oC에서 30 분 동안 핫 플레이트에서 베이킹했습니다. 또한 PBO-SAM 코팅은 접착 방지제입니다. CVD 공정에 의해 증착되었습니다. 마스터는 150oC 및 50bar에서 10 분 동안 PBO-SAM / PMMA 기판 필름에 엠보싱하여 복제되었습니다.

마지막으로, 엠보싱 된 나노 구조물의 바닥에 남아 있던 PBO-SAM / PMMA 층은 RIE 처리로 제거되었습니다. 각 임프린트 후 스탬프 및 기판의 품질이 제작 된 후 현미경을 사용하여 관찰하고 물 접촉각 (CA) 측정을 사용하여 습윤 및 접착 특성을 알아낼 수 있습니다.

Fig. 2. FTIR absorption spectrum of polybenzoxazines indicates the vibrational modes of molecular bonds.

Fig. 3. FE-SEM micrograph of Ni stamps before imprinted PMMA substrate. The pillar diameter is 200 nm, and its period is 400 nm.

Fig. 5. Contact angles of water drops on (A) a PMMA polymer film surface, and (B) a smooth PBO-SAM coating film surfaceFig. 6. Simulation of Ni stamps and PBO-SAM/PMMA substrate in NIL process: (A) A nanoimprint system geometry, and (B) its grid plot.

References

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원문 보기 바로 가기

Figure 8 Evaluation test of thermal sprayed coatings

Development of Advanced Materials and Manufacturing Technologies for High-efficiency Gas Turbines

고효율 가스 터빈용 신소재 및 제조 기술 개발

Mitsubishi Heavy Industries Technical Review Vol. 52 No. 4 (December 2015)

가스 터빈 복합 화력 (GTCC) 발전 시장은 재생 에너지와 공존 할 수 있는 가장 깨끗하고 경제적인 화력 발전 시스템으로 장기적으로 성장할 것으로 예상됩니다. 효율성을 더욱 높이려면 터빈 부품 재료의 특성을 개선하고 첨단 블레이드 설계에 필요한 복잡한 구조를 구축하기 위한 제조 기술 개발이 필수적입니다.

이 보고서는 가스 터빈의 고온 적용을 위한 재료 및 제조 기술로서 합금 설계 및 주조, 코팅, 용접 수리 및 냉각 구멍 드릴링 공정을 포함한 기술 개발을 제시합니다.

최근 몇 년 동안 세계 에너지 수요는 특히 중국과 인도와 같은 아시아 국가에서 현저하게 증가하고 있습니다. 2035 년 글로벌 에너지 소비량은 2010 년 대비 약 1.5 배 수준에이를 것으로 예상됩니다. 일본에서는 에너지 자급률이 10 % 미만이며 에너지 사용 효율을 높이고 환경 부하를 줄이는 것이 시급한 문제입니다. . 특히 현재 일본 전기 생산량의 거의 90 %를 차지하고있는 화력 발전의 효율화가 필요하다. 발전 효율은 가스 터빈 (시스템의 주요 구성 요소)의 연소 온도에 크게 영향을받습니다. 온도가 상승함에 따라 열 순환 효율이 향상 될 수 있기 때문에 Mitsubishi Hitachi Power Systems, Ltd.

(MHPS)는 1980 년대 초부터 더 높은 온도 / 더 나은 효율성 및 더 큰 용량을 가진 고급 시스템을 개발했습니다.
그림 11에서 보듯이 터빈 입구 온도는 1984 년 (Type D) 1,100 ° C 등급에서 시작하여 1989 년 1,350 ° C 등급 (Type F), 1997 년 1,500 ° C 등급 (Type 지).

또한 2011 년에는 1,600 ° C 급 가스 터빈 (J 형)이 출범했습니다 .2 2004 회계 연도부터 국가 프로젝트 “1,700 ° C 급 가스 터빈을위한 원소 기술 개발”이 시작되었습니다. J 형 가스 터빈 개발 프로젝트는 첨단 열 차단 코팅 (TBC) 및 냉각 / 공기 역학 기술과 같은 결과도 활용되었습니다 (그림 2).

가스 터빈 온도를 더욱 높이려면 이러한 고온을 견딜 수있는 신소재를 설계하고 터빈 부품의 특성을 개선하며 고급 블레이드 설계에 필요한 복잡한 구조를 구축하기 위한 제조 기술을 발명하는 것이 중요합니다.
이 보고서는 MHPS가 Mitsubishi Heavy Industries, Ltd. (MHI) 연구 및 혁신 센터와 함께 개발하고 있는 이러한 기술을 소개합니다.

Figure 1 Increase in the turbine inlet temperature and transition of applied materials and technologies

Characteristics of the M501J gas turbine

MHPS와 MHI는 MGA1400, MGA1400DS, MGA2400을 고온 환경에서 사용할 수 있을 만큼 내구성이 있는 고강도 Ni 계 초합금으로 개발하여 자사 제품에 적용하고 있습니다. 일반적으로 인터 빈 블레이드에 사용되는 초합금은 주조 방법에 따라 기존 주조 합금, 방향 응고 합금, 단결정 합금 중 하나로 분류됩니다.

이 세 가지 유형 중 MGA1400 및 MGA2400은 기존 주조 합금의 범주에 해당하는 반면 MGA1400DS는 방향성 응고 합금입니다 . 단결정 합금은 입자 경계가 없기 때문에 가장 강하고 (그 존재는 재료 강도 측면에서 불리 함) 입자 경계 강화를 고려하지 않고 합금 조성을 최적화 할 수 있습니다.

그러나 주조 공정에서 발생하는 주조 결함은 강도를 크게 저하시킬 수 있으므로 제조 기술의 확립이 중요합니다. 산업용 가스 터빈 블레이드는 크기가 크기 때문에 항공기 엔진보다 제조하기가 더 어렵습니다.

MHI 연구 혁신 센터는 1700 ° C 급 가스 터빈을 건설하기 위해 NIMS (National Institute for Materials Science)와 공동 연구를 수행하여 단결정 블레이드용 고내열 소재를 개발했습니다. 고온에서 재료의 강도를 검증하는 것 뿐만 아니라 결함이 없는 좋은 단결정 구조를 얻기 위한 주조 기술 개발도 필수적입니다.

신소재는 원재료 및 주조 비용 등 경제성 측면에서도 만족스러워야 한다. 또한 고온에서 필요한 모든 재료 특성 (예 : 크리프 강도, 열 피로 강도 및 내 산화성)을 나타내야 합니다. 특히 크리프 강도와 열 피로 강도의 공존을 실현하기 위한 기술 개발이 어려웠습니다.

NIMS 합금 설계 프로그램에 의해 결정된 조성으로 테스트 합금을 조사하는 동안 MHI와 NIMS는 속성 예측을 위한 데이터베이스를 확장하기 위해 주로 열 피로 강도에 대한 데이터를 수집했습니다. 이러한 노력으로 인해 크리프 강도와 열 피로 강도 모두에서 우수한 특성을 가진 단결정 합금 인 MGA1700이 개발되었습니다 (그림 3).

일반적으로 레늄과 같은 고가의 희귀 금속을 포함하는 고강도의 다른 단결정 합금과 달리 MGA1700은 콘없이 고강도를 실현하는 획기적인 합금입니다.

Figure 3 Micro structure and high-temperature strength property of the designed alloy

Figure 11 Schematic diagram of LMD Figure 13 Cross-sectional comparison of weld beads between analysis results and LMD application Figure 12 Analytical model and a typical result of the analysis — Figure 11 Schematic diagram of LMD Figure
Figure 12 Analytical model and a typical result of the analysis
13 Cross-sectional comparison of weld beads between analysis results and LMD application

중략 ……

References

1. Komori, T. et al., the 41th GTSJ Seminar material (2013) pp. 57-64 2. Yuri, M. et al., Development of 1600°C-Class High-efficiency Gas Turbine for Power Generation Applying J-Type Technology, Mitsubishi Heavy Industries Technical Review Vol. 50 No. 3 (2013) pp.1-10. 3. Okada, I. et al., Development of Ni base Superalloy for Industrial Gas Turbine, Superalloy2004,(2004),p707-712. 4. Kishi, K. et al., Welding Repair Technology for Single Crystal Blade and Vane，Proceedings of the International Gas Turbine Congress, (2014), IGTC07-116S. 5. KREUTZ, E.W. et al., Process Development and Control of Laser Drilled and Shaped Holes in TurbineComponents， JLMN-Journal of Laser Micro/Nanoengineering, Vol.2 No.2 (2007), p123. 6. Sezer, H.K. et al., Mechanisms of Acute Angle Laser Drilling induced Thermal Barrier CoatingDelamination，Journal of Manufacturing Science and Engineering, vol.131 (2009), p.051014-1 7. Goya, S. et al., High-Speed & High-Quality Laser Drilling Technology Using a Prism Rotator, MitsubishiHeavy Industries Technical Review Vol. 52 No. 1 (2015) pp. 106-109

원문 전체 내용 바로가기

$Figure 2. Ink fraction contours for mesh 1 through 4 (left to right) at the following four time steps: (a) 6 µs, (b) 12 µs, (c) 18 µs, and (d) 24 µs.$

Coupled CFD-Response Surface Method (RSM) Methodology for Optimizing Jettability Operating Conditions

분사성 작동 조건을 최적화하기 위한 결합된 CFD-Response Surface Method(RSM)

Nuno Couto 1, Valter Silva 1,2,* , João Cardoso 2, Leo M. González-Gutiérrez 3 and Antonio Souto-Iglesias 41
INEGI-FEUP, Faculty of Engineering, Porto University, 4200-465 Porto, Portugal;
nunodiniscouto@hotmail.com
2 VALORIZA, Polytechnic Institute of Portalegre, 7300-110 Portalegre, Portugal; jps.cardoso@ipportalegre.pt
3 CEHINAV, DMFPA, ETSIN, Universidad Politécnica de Madrid, 28040 Madrid, Spain; leo.gonzalez@upm.es
4 CEHINAV, DACSON, ETSIN, Universidad Politécnica de Madrid, 28040 Madrid, Spain;
antonio.souto@upm.es

Correspondence: valter.silva@ipportalegre.pt; Tel.: +351-245-301-592

소개

물방울 생성에 대한 이해는 여러 산업 응용 분야에서 매우 중요합니다 [ 1 ]. 잉크젯 프린팅 프로세스는 일반적으로 10 ~ 100 μm [ 1 ] 범위의 독특하고 작은 액적 크기를 특징으로 하며 연속적 또는 충동적 흐름을 사용하여 얻을 수 있습니다 (마지막 방식은 주문형 드롭 (DoD)이라고도 함). 잉크젯).

여러 장점 덕분에 DoD 방법은 산업 환경에서 상당한 수용을 얻고 있습니다 [ 2 ].DoD는 복잡한 프로세스이며 유체 속성, 노즐 형상 및 구동 파형 [ 1 , 3 ]의 세 가지 주요 범주로 분류되는 여러 매개 변수에 따라 달라집니다 .그러나 길이와 시간 척도가 모두 마이크로 오더 [ 4 ] 이기 때문에 실험을하기가 어렵습니다 .

결과적으로 실험 설정은 항상 비용이 많이 들고 복잡하며 CFD (전산 유체 역학)와 같은 고급 수치 접근 방식이 엄격한 요구 사항입니다 [ 5 , 6 ]. VOF (volume-of-fluid) 접근 방식은 액체 분해 및 액적 생성에 대한 다상 공정을 시뮬레이션하기위한 적절한 대안으로 밝혀졌으며 과거 연구에서 그대로 사용되었습니다 [ 7 , 8], 인쇄 프로세스의 맥락에서 전자는 여전히 현재 연구의 주제입니다.

또한 VOF 체계를 사용하면 단일 운동량 방정식 세트를 해결하고 도메인 전체에 걸쳐 각 유체의 체적 분율을 추적하여 명확하게 정의된 인터페이스로 둘 이상의 혼합 불가능한 유체를 효과적으로 시뮬레이션 할 수 있습니다. Feng [ 9 ]는 VOF 접근 방식을 사용하여 일시적인 유체 인터페이스 변형 및 중단을 효과적으로 추적하는 패키지 FLOW-3D를 사용하여 낙하 배출 중 복잡한 유체 역학 프로세스를 시뮬레이션하는 선구자 작업 중 하나를 수행했습니다.

주요 목표는 볼륨 및 속도와 같은 민감한 변수를 더 잘 이해하면서 장치 개발에서 일반적인 설계 규칙을 구현하는 것이 었습니다. 이러한 종류의 공정과 관련된 주요 질문 중 하나는 안정적인 액적 형성을 위한 작동 범위의 정의입니다.

Fromm [ 10 ]은 Reynolds 수와 Weber 수의 제곱근 비율이 2보다 작으면 안정적인 방울을 생성 할 수 없다는 것을 확인했습니다. 이 무차원 값은 나중에 Z 번호로 알려졌으며 분사 가능성 범위 [ 11 ]를 정의합니다 . 문헌에서 분사 가능성을 위한 Z 간격은 1 ~ 10 [ 12 ], 4 ~ 14 [ 13 ] 또는 0.67 ~ 50 [ 14]을 찾을 수 있습니다.

이것은 Z 값 만으로는 분사 가능성 조건을 나타낼 수 없음을 분명히 의미합니다. 실제로, 다른 속성을 가진 유체는 다른 인쇄 품질을 나타내면서 동일한 Z 값을 나타낼 수 있습니다. 액적 생성 공정과 해당 분사 성은 주로 전체 공정 품질에 큰 영향을 미치는 매개 변수 세트에 의해 결정됩니다.

토대 메커니즘을 더 잘 이해하려면 확장 된 작동 조건 및 매개 변수 세트를 고려하여 여러 실험 또는 수치 실행을 수행해야 합니다. DoE (design-of-experiment) 접근 방식과 같은 체계적인 접근 방식이 없으면 이것은 달성하기 매우 어려운 작업이 될 수 있습니다. 최적화 문제를 해결하기 위해 반응 표면 방법을 사용하여 처음으로 체계화된 접근 방식이 개발된 Box and Wilson [ 15 ] 의 선구자 기사 이후 ,이 입증된 방법론은 많은 화학 및 산업 공정[ 16 ] 및 기타 관련 학계에 성공적으로 적용되었습니다.

예를 들어 Silva와 Rouboa [ 17 ]는 직접 메탄올 연료 전지의 출력 밀도에 영향을 미치는 관련 매개 변수를 식별하기 위해 반응 표면 방법론 (RSM)을 사용했습니다. 많은 실제 산업 응용 분야에서 실험 연구는 작동 매개 변수를 조절하기 어렵 기 때문에 제한적이지만 주로 설정을 개발하거나 실험을 실행하는 데 드는 비용이 높기 때문입니다.

따라서 솔루션은 주요 시스템 응답을 시뮬레이션하고 예측할 수 있는 효과적인 수학적 모델의 개발에 의존합니다. DoE와 같은 최적화 방법론을 수치 모델과 결합하면 비용이 많이 들고 시간이 많이 걸리는 실험을 피하고 다양한 입력 조합을 사용하여 최적의 조건을 얻을 수 있습니다 [ 16 ].

실바와 루 보아 [ 18] CFD 프레임 워크 하에서 개발 된 2D Eulerian-Eulerian 바이오 매스 가스화 모델에서 얻은 결과를 RSM과 결합하여 다양한 응용 분야에서 합성 가스를 생성하기 위한 최적의 작동 조건을 찾습니다.

저자는 입력 요인으로 인한 최상의 응답과 최소한의 변동을 모두 보장하는 작동 조건을 찾을 수 있었습니다. Frawley et al. [ 19 ] CFD 및 DoE 기술 (특히 RSM)을 결합하여 파이프의 팔꿈치에서 고체 입자 침식에 대한 다양한 주요 요인의 영향을 조사하여 침식 예측 모델을 개발할 수 있습니다.우리가 아는 한, DoD 잉크젯 프로세스의 개선 및 더 나은 이해에 적용되는 DoE 접근법 (실험적으로 또는 모든 종류의 수치 모델과 결합)을 구현하는 연구는 없습니다. 선도 기업이 이러한 접근 방식을 적용 할 가능성이 있지만 관련 결과는 민감할 수 있으므로 더 넓은 커뮤니티에서 사용할 수 없습니다. 이 사실은 DoD 잉크젯 공정에서 액적 생성에 대한 여러 매개 변수의 영향을 평가하기 위한 이러한 종류의 연구로서 현재 논문의 영향을 증가 시킬 수 있습니다.

CFD 프레임 워크 내에서 VOF 접근 방식을 사용하여 여러 컴퓨터 실험의 설계를 개발하고 RSM을 분석 도구로 사용했습니다. 충분한 수치 정확도와 수용 가능한 시간 계산 시뮬레이션의 균형을 맞추기 위해 메쉬 수렴 연구가 수행되었습니다. 설계 목적을 위해 점도, 표면 장력, 입구 속도 및 노즐 직경이 입력 요인으로 선택되었습니다. 응답은 break-up 시간과 break-up 길이였습니다.

Figure 1. Schematic of the computational domain

Figure 2. Ink fraction contours for mesh 1 through 4 (left to right) at the following four time steps: (a) 6 µs, (b) 12 µs, (c) 18 µs, and (d) 24 µs.

Figure 3. Comparison between surface tensions at the following four time steps: (a) 6 µs, (b) 12 µs, (c) 18 µs, and (d) 24 µs

Figure 4. Comparison between viscosity values at the following four time steps: (a) 6 μs, (b) 12 μs, (c) 18 μs, and (d) 24 μs.

Figure 5. Comparison between different nozzle diameters at the following four time steps: (a) 6 µs, (b) 12 µs, (c) 18 µs, and (d) 24 µs

Figure 6. Comparison between different inlet velocities at the following four time steps: (a) 6 µs, (b) 12 µs, (c) 18 µs, and (d) 24 µs

Figure 8. Contour response plots for break-up time as a function of (a) surface tension and viscosity, (b) nozzle diameter and viscosity, (c) inlet velocity and viscosity, (d) nozzle diameter and surface tension, (e) inlet velocity and surface tension, and (f) inlet velocity and nozzle diameter.

Figure 12. Break-up length as a function of the We–Ca space (obtained from the 25 runs).

논문 원문 바로가기

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Figure 1.1: A water droplet with a radius of 1 mm resting on a glass substrate. The surface of the droplet takes on a spherical cap shape. The contact angle θ is defined by the balance of the interfacial forces.

Effect of substrate cooling and droplet shape and composition on the droplet evaporation and the deposition of particles

기판 냉각 및 액적 모양 및 조성이 액적 증발 및 입자 증착에 미치는 영향

by Vahid Bazargan
M.A.Sc., Mechanical Engineering, The University of British Columbia, 2008
B.Sc., Mechanical Engineering, Sharif University of Technology, 2006
B.Sc., Chemical & Petroleum Engineering, Sharif University of Technology, 2006

고착 방울은 평평한 기판에 놓인 액체 방울입니다. 작은 고정 액적이 증발하는 동안 액적의 접촉선은 고정된 접촉 영역이 있는 고정된 단계와 고정된 접촉각이 있는 고정 해제된 단계의 두 가지 단계를 거칩니다. 고정된 접촉 라인이 있는 증발은 액적 내부에서 접촉 라인을 향한 흐름을 생성합니다.

이 흐름은 입자를 운반하고 접촉 선 근처에 침전시킵니다. 이로 인해 일반적으로 관찰되는 “커피 링”현상이 발생합니다. 이 논문은 증발 과정과 고착성 액적의 증발 유도 흐름에 대한 연구를 제공하고 콜로이드 현탁액에서 입자의 침착에 대한 통찰력을 제공합니다. 여기서 우리는 먼저 작은 고착 방울의 증발을 연구하고 증발 과정에서 기판의 열전도도의 중요성에 대해 논의합니다.

현재 증발 모델이 500µm 미만의 액적 크기에 대해 심각한 오류를 생성하는 방법을 보여줍니다. 우리의 모델에는 열 효과가 포함되어 있으며, 특히 증발 잠열의 균형을 맞추기 위해 액적에 열을 제공하는 기판의 열전도도를 포함합니다. 실험 결과를 바탕으로 접촉각의 진화와 관련된 접촉 선의 가상 움직임을 정의하여 고정 및 고정 해제 단계의 전체 증발 시간을 고려합니다.

우리의 모델은 2 % 미만의 오차로 500 µm보다 작은 물방울에 대한 실험 결과와 일치합니다. 또한 유한한 크기의 라인 액적의 증발을 연구하고 증발 중 접촉 라인의 복잡한 동작에 대해 논의합니다. 에너지 공식을 적용하고 접촉 선이 구형 방울의 후퇴 접촉각보다 높은 접촉각을 가진 선 방울의 두 끝에서 후퇴하기 시작 함을 보여줍니다. 그리고 라인 방울 내부의 증발 유도 흐름을 보여줍니다.

마지막으로, 계면 활성제 존재 하에서 접촉 라인의 거동을 논의하고 입자 증착에 대한 Marangoni 흐름 효과에 대해 논의합니다. 열 Marangoni 효과는 접촉 선 근처에 증착 된 입자의 양에 영향을 미치며, 기판 온도가 낮을수록 접촉 선 근처에 증착되는 입자의 양이 많다는 것을 알 수 있습니다.

Figure 2.1: Evaporation modes of sessile droplets on a substrate: (a) evaporation at constant contact angle (de-pinned stage) and (b) evaporation at constant contact area (pinned stage)

Figure 2.2: A sessil droplet with its image can be profiled as the equiconvex lens formed by two intersecting spheres with radius of a.

Figure 2.3: The droplet life time for both evaporation modes derived from Equation 2.2.

Figure 2.4: A probability of escape for vapor molecules at two different sites of the surface of the droplet for diffusion controlled evaporation. The random walk path initiated from a vapor molecule is more likely to result in a return to the surface if the starting point is further away from the edge of the droplet.

Figure 2.5: Schematic of the sessile droplet on a substrate. The evaporation rate at the surface of the droplet is enhanced toward the edge of the droplet.

Figure 2.6: The domain mesh (a) and the solution of the Laplace equation for diffusion of the water vapor molecule with the concentration of Cv = 1.9×10−8 g/mm3 at the surface of the droplet into the ambient air with the relative humidity of 55%, i.e. φ = 0.55 (b).

Figure 3.1: The portable micro printing setup. A motorized linear stage from Zaber Technologies Inc. was used to control the place and speed of the micro nozzle.

Figure 4.6: Temperature contours inside the substrate adjacent to the droplet

Figure 4.7: The effect of substrate cooling on the evaporation rate, the basic model shows the same value for all substrates.

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Figure 2. Simulation of droplet separation by EWOD

Non-Linear Electrohydrodynamics in Microfluidic Devices

미세 유체 장치의 비선형 전기 유체 역학

by Jun ZengHewlett-Packard Laboratories, Hewlett-Packard Company, 1501 Page Mill Road, Palo Alto, CA 94304, USAInt. J. Mol. Sci.2011, 12(3), 1633-1649; https://doi.org/10.3390/ijms12031633Received: 24 January 2011 / Revised: 10 February 2011 / Accepted: 24 February 2011 / Published: 3 March 2011

Abstract

Since the inception of microfluidics, the electric force has been exploited as one of the leading mechanisms for driving and controlling the movement of the operating fluid and the charged suspensions. Electric force has an intrinsic advantage in miniaturized devices. Because the electrodes are placed over a small distance, from sub-millimeter to a few microns, a very high electric field is easy to obtain. The electric force can be highly localized as its strength rapidly decays away from the peak. This makes the electric force an ideal candidate for precise spatial control. The geometry and placement of the electrodes can be used to design electric fields of varying distributions, which can be readily realized by Micro-Electro-Mechanical Systems (MEMS) fabrication methods. In this paper, we examine several electrically driven liquid handling operations. The emphasis is given to non-linear electrohydrodynamic effects. We discuss the theoretical treatment and related numerical methods. Modeling and simulations are used to unveil the associated electrohydrodynamic phenomena. The modeling based investigation is interwoven with examples of microfluidic devices to illustrate the applications.

Keywords: dielectrophoresis; electrohydrodynamics; electrowetting; lab-on-a-chip; microfluidics; modeling; numerical simulation; reflective display

요약

미세 유체학이 시작된 이래로 전기력은 작동 유체와 충전 된 서스펜션의 움직임을 제어하고 제어하는 주요 메커니즘 중 하나로 활용되어 왔습니다. 전기력은 소형 장치에서 본질적인 이점이 있습니다. 전극이 밀리미터 미만에서 수 미크론까지 작은 거리에 배치되기 때문에 매우 높은 전기장을 쉽게 얻을 수 있습니다.

전기력은 강도가 피크에서 멀어지면서 빠르게 감소하기 때문에 고도로 국부화 될 수 있습니다. 이것은 전기력을 정밀한 공간 제어를 위한 이상적인 후보로 만듭니다.

전극의 기하학적 구조와 배치는 다양한 분포의 전기장을 설계하는 데 사용될 수 있으며, 이는 MEMS (Micro-Electro-Mechanical Systems) 제조 방법으로 쉽게 실현할 수 있습니다.

이 논문에서 우리는 몇 가지 전기 구동 액체 처리 작업을 검토합니다. 비선형 전기 유체 역학적 효과에 중점을 둡니다. 이론적 처리 및 관련 수치 방법에 대해 논의합니다. 모델링과 시뮬레이션은 관련된 전기 유체 역학 현상을 밝히는 데 사용됩니다. 모델링 기반 조사는 응용 분야를 설명하기 위해 미세 유체 장치의 예와 결합됩니다.

키워드 : 유전 영동 ; 전기 유체 역학 ; 전기 습윤 ; 랩 온어 칩 ; 미세 유체 ; 모델링 ; 수치 시뮬레이션 ; 반사 디스플레이

Droplet processing array Droplet based BioFlip — igure 1. Example of droplet-based digital microfluidics architecture. Above is an elevation view showing the layered structure of the chip. Below is a diagram illustrating the system (Adapted from [4]).

Figure 4. Transient sequence of the Taylor cone formation: simulation and experiment comparison. Experimental images are shown in the top row. Simulation results are shown in the bottom row. Their correspondence is indicated by the vertical alignment (Adapted from [4]).

Figure 6. Simulation of charge screening effect using a parallel-plate cell. Top-left image shows the electric current as function of time and driving voltage, top-right image shows the evolution of the species concentration as function of time and space, the bottom image shows the electric current readout after switching the applied voltage.

Figure 7. Transient simulation of electrohydrodynamic instability and the development of the cellular convective flow pattern.

Figure 3. Simulation of dielectrophoresis driven axon migration. The set of small images on the left shows a transient simulation of single axon migration under an electric field generated by a pin electrode. The image on the right is a snapshot of a simulation where two axons are fused by dielectrophoresis using a pin electrode. Axons are outlined in white. Also shown are the iso-potential curves.

논문 원문 바로가기

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High-Rate Nanoscale Offset Printing Process Using Directed Assembly and Transfer of Nanomaterials

지난 10 년 동안 나노 크기의 재료와 공정을 제품에 통합하는 데 제한적인 성공을 거두면서 나노 기술에 상당한 투자와 발전이 있었습니다.

잉크젯, 그라비아, 스크린 프린팅과 같은 접근 방식은 나노 물질을 사용하여 구조와 장치를 만드는 데 사용됩니다. [1–7] 그러나 상당히 느리고 µm 스케일 분해능 만 제공 할 수 있습니다. 다양한 모양과 크기의 100nm 미만의 특징을 달성하기 위해 딥펜 리소그래피 (DPN) [8-11] 및 소프트 리소그래피 [12-16]와 같은 다양한 기술이 개발되고 광범위하게 연구되었습니다.

DPN은 직접 쓰기 기술로, atomic force microscopy 현미경 팁을 사용하여 다양한 기판에 여러 패턴을 생성합니다. DPN을 사용한 확장 성을 해결하기 위해 단일 AFM 팁 대신 2D 형식으로 배포 된 AFM (Atomic Force Microscopy) 팁 [17,18]이 사용되었습니다. 소프트 리소그래피에서는 나노 물질을 포함하는 잉크로 적셔진 원하는 릴리프 패턴을 가진 경화된 엘라스토머가 기판과 컨 포멀 접촉하게 되며, 여기서 패턴 화 된 나노 물질이 전달되어 기판에서 원하는 특징을 달성합니다.

이 논문에서는 작거나 큰 영역에서 몇 분 만에 나노, 마이크로 또는 거시적 구조를 인쇄 할 수 있는 다중 스케일 오프셋 인쇄 접근 방식을 제시합니다. 이 프로세스는 나노 입자 (NP), 탄소 나노 튜브 (CNT) 또는 용해 된 폴리머를 포함하는 서스펜션 (잉크)에서 나노 물질의 전기 영동 방향 조립을 사용하여 특별히 제작 된 재사용 가능한 Damascene 템플릿에 패턴을 “inking” 하는 것으로 시작됩니다. 이 잉크 프로세스는 실온과 압력에서 수행됩니다.

두 번째 단계는 템플릿에 조립된 나노 물질이 다른 기판으로 전송되는 “printing”로 구성됩니다. 전송 프로세스가 끝나면 템플릿은 다음 조립 및 전송주기에서 즉시 재사용 할 수 있습니다. 이 오프셋 인쇄 프로세스를 통해 NP (폴리스티렌 라텍스 (PSL), 실리카,은) 및 CNT (다중 벽 및 단일 벽)를 100μm에서 500nm까지의 크기 범위를 가진 패턴에 조립하고 유동성 기판에 성공적으로 옮깁니다.

다양한 나노 물질을 다양한 아키텍처로 조립하기 위해 템플릿 유도 유동, 대류, 유전 영동 (DEP) 및 전기 영동 조립과 같은 몇 가지 직접 조립 프로세스가 조사되었습니다. 모세관력이 지배적인 조립 메커니즘인 유체 조립 공정은 다양한 나노 물질에 적용 할 수 있습니다.

대류 조립 공정은 현탁 메니 스커 스와 증발을 활용하여 단일 나노 입자 분해능으로 정밀 조립을 가능하게 합니다. 이러한 조립 공정 중 많은 부분이 트렌치와 같은 마이크로 및 나노 스케일 기능으로 고해상도의 직접 조립을 보여 주었지만, 확장성 부족, 느린 공정 속도 및 반복성과 같은 많은 단점이 있습니다.

DEP 어셈블리는 NP와 전극 사이에 고배향 탄소 나노 튜브 어셈블리를 사용하여 나노 와이어 및 구조를 만드는 데 사용되었습니다. 조립 효율은 전기장과 전기장 구배에 상당한 영향을 미치는 전극의 기하학적 구조와 간격에 크게 좌우됩니다. 전기 영동 기반 조립 공정은 유체 조립에 비해 훨씬 짧은 시간에 전도성 표면에 표면 전하를 가진 나노 물질을 조립하는 것을 포함합니다. [34–37]

그러나 전기 영동 조립은 조립이 전도성 표면에 발생해야 하므로 다양한 장치를 만드는 데 실용적이지 않습니다. 한 가지 해결책은 원하는 나노 스케일 구조를 기반으로 전도성 패턴이 있는 템플릿을 만들고, 전기 영동 공정을 사용하여 패턴 위에 나노 물질을 조립 한 다음 조립 된 구조를 수용 기판에 옮기는 것입니다.

그림 1a와 같이 절연 필름에 전도성 와이어와 같은 패턴 구조가있는 기존 템플릿을 사용하면 나노 스케일 와이어의 잠재적 인 큰 강하로 인해 어셈블리가 불균일 해지며 대부분의 입자는 그림 1에 표시된 마이크로 와이어 b. 또한 NP는 3D 와이어의 측벽에도 조립되므로 바람직하지 않습니다. 또한 나노 스케일 와이어와 템플릿 사이의 작은 접촉 면적으로 인해 나노 스케일 와이어는 이송 과정에서 쉽게 벗겨집니다.

Figure 2. Offset printing: a) A schematic of the nanoscale offset printing approach. The insulating (SiO 2 ) surface of the Damascene template is selectively coated with a hydrophobic SAM (OTS). Using electrophoresis, nanomaterials are assembled on the conductive patterns of the Damascene template (“inking”), which are then transferred to a recipient substrate (“printing”). After the transfer, the template is ready for the next assembly and transfer cycle. b) SEM image of 50 nm PSL particles assembly with high density on 1 µm wide electrodes. c) Silica particles (20 nm) assembly on crossbar 2D patterns demonstrating the versatility of the Damascene template. Inset fi gure is a high-resolution image of assembled silica particles. d) SEM image of assembled SWNTs on micrometer scale patterns. e) MWNTs assembled on 100 µm features. f) Cellulose assembled on 2 µm electrodes. g) SWNTs assembled in cross bar architecture patterns. h) Flexible devices with array of transferred SWNTs and metal electrodes (printed on PEN). Inset is the microscopy image of two electropads and transferred SWNTs on PEN fi lm.

Figure 3. Analysis of nanomaterial assembly on electrodes

이것은 또한 그림 3b에 표시된대로 유한 체적 모델링 (Flow 3D)을 사용하는 전기장 윤곽 시뮬레이션 결과에 의해 확인됩니다. 전기장 강도의 윤곽은 전도성 패턴의 가장자리에있는 전기장이 중앙에있는 것보다 더 강하다는 것을 나타냅니다. 그러나 적용된 전위가 2.5V로 증가하면 그림 3c에 표시된대로 100nm 실리카 입자가 Damascene 템플릿을 가로 질러 전도성 패턴의 표면에 완전히 조립되어 조립을위한 임계 전기장 강도에 도달했음을 나타냅니다. 정렬 된 SWNT는 여과 전달 경로를 피하고 나노 튜브 사이의 접합 저항을 최소화하여 소자 성능의 최소 변화를 가져 오기 때문에 많은 응용 분야에서 고도로 조직화 된 SWNT가 필요합니다.

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Fig. 3. Comparison of SEM photographs and simulation results of two neighboring aluminum droplets from (a) top view, (b) side view and (c) bottom view. The scale bar is 100 µm.

Effect of the surface morphology of solidified droplet on remelting
between neighboring aluminum droplets

Abstract

인접한 물방울 사이의 좋은 야금학적 결합은 droplet 기반 3D 프린팅에서 필수적입니다. 그러나 재용해 메커니즘이 명확하게 마스터되었지만, 콜드 랩은 균일한 알루미늄 액적 증착 제조에서 형성된 부품의 일반적인 내부 결함이며, 이는 응고된 액 적의 표면 형태를 간과하기 때문입니다.

여기에서 처음으로 물방울 사이의 융합에 대한 잔물결과 응고각의 차단 효과가 드러났습니다. 재용해의 자세한 과정을 조사하기 위해 VOF (체적 부피) 방법을 기반으로 3D 수치 모델을 개발했습니다. 실험과 시뮬레이션을 통해 인접한 액적 간의 재 용융 공정은 두 번째 액 적과 기판 사이의 과도 접촉에 따라 두 단계로 나눌 수 있음을 보여줍니다.

첫 번째 단계에서는 재용해 조건이 이론적으로 충족 되더라도 콜드 랩이 형성 될 수 있다는 직관적이지 않은 결과가 관찰됩니다. 이전에 증착된 액적 표면의 잔물결은 새로운 액적과의 직접 접촉을 차단합니다. 두 번째 단계에서는 응고 각도가 90 °보다 클 때 액체 금속이 불완전하게 채워져 바닥 표면에 콜드랩이 형성됩니다. 또한 이러한 콜드 랩은 온도 매개 변수를 개선하여 완전히 피하는 것이 어렵습니다.

이 문제를 해결하기 위해 기판의 열전도 계수를 감소시키는 새로운 전략이 제안 되었습니다. 이 방법은 잔물결을 제거하고 응고 각도를 줄임으로써 물방울 사이의 재용해를 효과적으로 촉진합니다.

Keywords: 3D printing; aluminum droplets; metallurgical bonding; ripples; solidification angle.

Fig. 1. Schematic diagram of (a) experimental setup and (b) process principle of uniform aluminum droplet deposition manufacturing.

Fig. 2. Schematic diagram of the numerical model of two droplets successively depositing on the substrate.

Fig. 4. Experimental and simulation images of shape evolution during two neighboring droplets successively impacting at (a) t, (b) t+0.5 ms, (c) t+1 ms, (d) t+2 ms, (e) t+3 ms and (f) t+5 ms.

Fig. 5. SEM observation of (a) side view and (b) bottom view of successive deposition of aluminum droplets; (c) enlarged side view of the section of the printed metal trace in (a); (d) fracture of two neighboring droplets; (e) cross-section of two droplets successive deposition; (f) enlarged view of the selected section in (e).

Fig. 6. Simulation results of (a) shape evolution and solid fraction distribution in Y- Z middle cross-section of two successively-deposited droplets; (b) temperature variation with time at three points (labeled A-C) on the surface of the first droplet during the deposition of the second droplet.

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Pinned contact line resulting in coffee ring deposits (a). Constant contact angle and mixed mode resulting in moderately more uniform deposits (b).

Inkjet Printability of Electronic Materials Important to the Manufactur Manufacture of Fully Printed O ully Printed OTFTs

Sooman Lim
Western Michigan University, sooman.lim@gmail.com

초록

본 연구에서는 OTFT(Printed Organic Thin Film Transistors) 제작에 중요한 재료의 잉크젯 인쇄성이 조사되었습니다. 잉크젯 인쇄 잉크의 분사 진화를 이해하기 위해 나노 구리 및 나노 입자 은 잉크로 시뮬레이션이 수행되었습니다. 나노 구리 잉크의 잉크젯 적합성을 예측하기 위해 온도 차이가 있는 Z와 Oh 수를 측정했습니다. FLOW-3D를 이용한 시뮬레이션 연구의 결과를 Dimatix 잉크젯 프린터를 사용하여 얻은 실험 결과와 비교했습니다.

반도체 잉크의 경우, 두 유기 반도체의 잉크젯 인쇄성 P2TDC17FT4(poly[(3,7-dipdecdecyltheno[3,2-b]theno[2′,3′:4,5]theno[2,3-diopneo] 티오페인-2,6-diopeo[2,6-diotyl)]입니다.HT(poly-3 hexylthiophene)를 비교하여 낙하 속도, 낙하 볼륨 및 점화 전압 간의 관계를 확인하고, 낙하 간격 및 기판 온도가 인쇄 품질에 미치는 영향을 확인했습니다.

이러한 연구를 통해 인쇄 가능성과 인쇄 품질은 잉크젯으로 인쇄된 상단 게이트 OTFT를 완벽하게 구현하기에 충분했습니다. 주변 조건에서 인쇄되는 P2TDC17FT4의 성능은 저비용 완전 인쇄 OTFT의 실현에 중요한 영향을 미칩니다.

후처리 연구로 은색 잉크의 유망한 대체품인 나노 구리 잉크를 IPL(Incensive Pulsed Light)로 소결시키는 것이 연구되었습니다. 잉크 필름 두께와 소결 시 필요한 에너지 사이의 관계가 확인되었습니다. 잉크 필름 두께와 관련하여 유리와 PET에 소결하는데 필요한 에너지 수준을 비교한 결과, 이 잉크의 처리 요구 사항에 대한 기판의 열적 기여도가 밝혀졌습니다. 이 조사 결과는 자재 특성 요구 사항에 대한 현재의 이해와 완전히 잉크젯으로 인쇄된 OTFT를 달성하기 위한 과제를 진전시킵니다.

Schematic design showing the principles of operation of a continuous inkjet (CIJ) printer.

Illustration of the piezo movement under an applied voltage.

Construction of a traditional piezoelectric squeeze type print head.

Marangoni effect, where Tc is the CT line temperature, Ta is the drop apex temperature, and a is the drop apex surface tension

Comparison of drop evolution and drop ejection pictures droplet obtained experimentally and using CFD software for the nano copper ink