Academic literature on the topic 'Phase-Field Models (PFM)'
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Journal articles on the topic "Phase-Field Models (PFM)"
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Li, Jingfa, Dukui Zheng, and Wei Zhang. "Advances of Phase-Field Model in the Numerical Simulation of Multiphase Flows: A Review." Atmosphere 14, no. 8 (August 19, 2023): 1311. http://dx.doi.org/10.3390/atmos14081311.
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The phase-field model (PFM) is gaining increasing attention in the application of multiphase flows due to its advantages, in which the phase interface is treated as a narrow layer and phase parameters change smoothly and continually at this thin layer. Thus, the construction or tracking of the phase interface can be avoided, and the bulk phase and phase interface can be simulated integrally. PFM provides a useful alternative that does not suffer from problems with either the mass conservation or the accurate computation of surface tension. In this paper, the state of the art of PFM in the numerical modeling and simulation of multiphase flows is comprehensively reviewed. Starting with a brief description of historical developments in the PFM, we continue to take a tour into the basic concepts, fundamental theory, and mathematical models. Then, the commonly used numerical schemes and algorithms for solving the governing systems of PFM in the application of multiphase flows are presented. The various applications and representative results, especially in non-match density scenarios of multiphase flows, are reviewed. The primary challenges and research focus of PFM are analyzed and summarized as well. This review is expected to provide a valuable reference for PFM in the application of multiphase flows.
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Sidharth, P. C., and B. N. Rao. "A Review on phase-field modeling of fracture." Proceedings of the 12th Structural Engineering Convention, SEC 2022: Themes 1-2 1, no. 1 (December 19, 2022): 449–56. http://dx.doi.org/10.38208/acp.v1.534.
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In cases with complicated crack topologies, the computational modeling of failure processes in materials owing to fracture based on sharp crack discontinuities fails. Diffusive crack modeling based on the insertion of a crack phase-field can overcome this. The phase-field model (PFM) portrays the fracture geometry in a diffusive manner, with no abrupt discontinuities. Unlike discrete fracture descriptions, phase-field descriptions do not need numerical monitoring of discontinuities in the displacement field. This considerably decreases the complexity of implementation. These qualities enable PFM to describe fracture propagation more successfully than numerical approaches based on the discrete crack model, especially for complicated crack patterns. These models have also demonstrated the ability to forecast fracture initiation and propagation in two and three dimensions without the need for any ad hoc criteria. The phase-field model, among numerous options, is promising in the computer modeling of fracture in solids due to its ability to cope with complicated crack patterns such as branching, merging, and even fragmentation. A brief history of the application of the phase-field model in predicting solid fracture has been attempted. An effort has been made to keep the conversation focused on recent research findings on the subject. Finally, some key findings and recommendations for future research areas in this field are discussed.
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Chen, Ming, Xiao Dong Hu, and Dong Ying Ju. "Phase-Field Simulation of Binary Alloy Crystal Growth Prepared by a Fluid Flow." Materials Science Forum 833 (November 2015): 11–14. http://dx.doi.org/10.4028/www.scientific.net/msf.833.11.
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Phase field method (PFM) was employed to investigate the crystal growth of Mg-Al alloy, on the basis of binary alloy model, the fluid field equation was coupled into the phase-field models, and the marker and cell (MAC) method was used in the numerical calculation of micro structural pattern. In the cast process, quantitative comparison of different anisotropy values that predicted the dendrite evolution were discussed in detail, and when the fluid flow rate reaches a high value, we can see the remelting of dendrite arms.
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Karim, Eaman T., Miao He, Ahmed Salhoumi, Leonid V. Zhigilei, and Peter K. Galenko. "Kinetics of solid–liquid interface motion in molecular dynamics and phase-field models: crystallization of chromium and silicon." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 379, no. 2205 (July 19, 2021): 20200320. http://dx.doi.org/10.1098/rsta.2020.0320.
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The results of molecular dynamics (MD) simulations of the crystallization process in one-component materials and solid solution alloys reveal a complex temperature dependence of the velocity of the crystal–liquid interface featuring an increase up to a maximum at 10–30% undercooling below the equilibrium melting temperature followed by a gradual decrease of the velocity at deeper levels of undercooling. At the qualitative level, such non-monotonous behaviour of the crystallization front velocity is consistent with the diffusion-controlled crystallization process described by the Wilson–Frenkel model, where the almost linear increase of the interface velocity in the vicinity of melting temperature is defined by the growth of the thermodynamic driving force for the phase transformation, while the decrease in atomic mobility with further increase of the undercooling drives the velocity through the maximum and into a gradual decrease at lower temperatures. At the quantitative level, however, the diffusional model fails to describe the results of MD simulations in the whole range of temperatures with a single set of parameters for some of the model materials. The limited ability of the existing theoretical models to adequately describe the MD results is illustrated in the present work for two materials, chromium and silicon. It is also demonstrated that the MD results can be well described by the solution following from the hodograph equation, previously found from the kinetic phase-field model (kinetic PFM) in the sharp interface limit. The ability of the hodograph equation to describe the predictions of MD simulation in the whole range of temperatures is related to the introduction of slow (phase field) and fast (gradient flow) variables into the original kinetic PFM from which the hodograph equation is obtained. The slow phase-field variable is responsible for the description of data at small undercoolings and the fast gradient flow variable accounts for local non-equilibrium effects at high undercoolings. The introduction of these two types of variables makes the solution of the hodograph equation sufficiently flexible for a reliable description of all nonlinearities of the kinetic curves predicted in MD simulations of Cr and Si. This article is part of the theme issue ‘Transport phenomena in complex systems (part 1)’.
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Jeon, Seoyeon, and Hyunjoo Choi. "Trends in Materials Modeling and Computation for Metal Additive Manufacturing." journal of Korean Powder Metallurgy Institute 31, no. 3 (June 30, 2024): 213–19. http://dx.doi.org/10.4150/jpm.2024.00150.
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Additive Manufacturing (AM) is a process that fabricates products by manufacturing materials according to a three-dimensional model. It has recently gained attention due to its environmental advantages, including reduced energy consumption and high material utilization rates. However, controlling defects such as melting issues and residual stress, which can occur during metal additive manufacturing, poses a challenge. The trial-and-error verification of these defects is both time-consuming and costly.Consequently, efforts have been made to develop phenomenological models that understand the influence of process variables on defects, and mechanical/electrical/thermal properties of geometrically complex products. This paper introduces modeling techniques that can simulate the powder additive manufacturing process. The focus is on representative metal additive manufacturing processes such as Powder Bed Fusion (PBF), Direct Energy Deposition (DED), and Binder Jetting (BJ) method.To calculate thermal-stress history and the resulting deformations, modeling techniques based on Finite Element Method (FEM) are generally utilized. For simulating the movements and packing behavior of powders during powder classification, modeling techniques based on Discrete Element Method (DEM) are employed. Additionally, to simulate sintering and microstructural changes, techniques such as Monte Carlo (MC), Molecular Dynamics (MD), and Phase Field Modeling (PFM) are predominantly used.
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Deng, Jinghui, Jie Zhou, Tangzhen Wu, Zhengliang Liu, and Zhen Wu. "Review and Assessment of Fatigue Delamination Damage of Laminated Composite Structures." Materials 16, no. 24 (December 16, 2023): 7677. http://dx.doi.org/10.3390/ma16247677.
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Fatigue delamination damage is one of the most important fatigue failure modes for laminated composite structures. However, there are still many challenging problems in the development of the theoretical framework, mathematical/physical models, and numerical simulation of fatigue delamination. What is more, it is essential to establish a systematic classification of these methods and models. This article reviews the experimental phenomena of delamination onset and propagation under fatigue loading. The authors reviewed the commonly used phenomenological models for laminated composite structures. The research methods, general modeling formulas, and development prospects of phenomenological models were presented in detail. Based on the analysis of finite element models (FEMs) for laminated composite structures, several simulation methods for fatigue delamination damage models (FDDMs) were carefully classified. Then, the whole procedure, range of applications, capability assessment, and advantages and limitations of the models, which were based on four types of theoretical frameworks, were also discussed in detail. The theoretical frameworks include the strength theory model (SM), fracture mechanics model (FM), damage mechanics model (DM), and hybrid model (HM). To the best of the authors’ knowledge, the FDDM based on the modified Paris law within the framework of hybrid fracture and damage mechanics is the most effective method so far. However, it is difficult for the traditional FDDM to solve the problem of the spatial delamination of complex structures. In addition, the balance between the cost of acquiring the model and the computational efficiency of the model is also critical. Therefore, several potential research directions, such as the extended finite element method (XFEM), isogeometric analysis (IGA), phase-field model (PFM), artificial intelligence algorithm, and higher-order deformation theory (HODT), have been presented in the conclusions. Through validation by investigators, these research directions have the ability to overcome the challenging technical issues in the fatigue delamination prediction of laminated composite structures.
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Li, Chang, Shuchao Li, Jiabo Liu, Yichang Sun, Yuhao Wang, and Fanhong Kong. "Study on Mechanism of Microstructure Refinement by Ultrasonic Cavitation Effect." Coatings 14, no. 11 (November 17, 2024): 1462. http://dx.doi.org/10.3390/coatings14111462.
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During the solidification process of the alloy, the temperature lies in the range between the solid-phase line and the liquidus. Dendrite growth exhibits high sensitivity to even slight fluctuations in temperature, thereby significantly influencing the tip growth rate. The increase in temperature can result in a reduction in the rate of tip growth, whereas a decrease in temperature can lead to an augmentation of the tip growth rate. In cases where there is a significant rise in temperature, dendrites may undergo fracture and subsequent remelting. Within the phenomenon of ultrasonic cavitation, the release of internal energy caused by the rupture of cavitation bubbles induces a substantial elevation in temperature, thereby causing both dendrite remelting and fracture phenomena. This serves as the main mechanism behind microstructure refinement induced by ultrasonic cavitation. Although dendrite remelting and fracture exert significant influences on the solidification process of alloys, most studies primarily focus on microscopic characterization experiments, which fail to unveil the transient evolution law governing dendrite remelting and fracture processes. Numerical simulation offers an effective approach to address this gap. The existing numerical models primarily focus on predicting the dendrite growth process, while research on remelting and fracture phenomena remains relatively limited. Therefore, a dendrite remelting model was established by incorporating the phase field method (PFM) and finite element difference method (FDM) into the temperature-induced modeling, enabling a comprehensive investigation of the entire process evolution encompassing dendrite growth and subsequent remelting.
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Zhang, Shidong, Kai Wang, Shangzhe Yu, Nicolas Kruse, Roland Peters, Felix Kunz, and Rudiger-A. Eichel. "Multiscale and Multiphysical Numerical Simulations of Solid Oxide Cell (SOC)." ECS Meeting Abstracts MA2023-01, no. 54 (August 28, 2023): 144. http://dx.doi.org/10.1149/ma2023-0154144mtgabs.
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Electrochemical applications play a key role for the topic of “green hydrogen” for the de-carbonization of the energy and mobility sectors. Electrochemical systems and processes, including fuel cells and electrolysers, have witnessed several benefits over conventional combustion-based technologies currently being widely used in power plants and vehicles. The ceramic high-temperature technologies by means of SOC exhibits high efficiencies, with a thermoelectric conversion efficiency as high as 60% and a total efficiency of up to 90% in fuel cell operation and even higher in electrolysis mode. The SOC technology, therefore, sees a promising future in the production of green hydrogen and electricity. Providing high operating temperature, over 600 oC, the SOC system shows the capability to operate with diverse types of gas mixtures, for example, hydrogen, ammonia, and carbon-containing mixtures such as methane (CH4), carbon monoxide (CO) in fuel cell operation (SOFC) and steam and/or carbon dioxide (CO2) in electrolysis operation (SOEC). The design of the SOC stack enables a reversible operation (rSOC) between fuel cell and electrolysis modes. It indicates the SOC system can perform with high efficiencies in both operating modes, which also widens the scope of possible applications. Challenges remain when it comes to commercialization of the SOC technology, in both the investment costs (CAPEX) and operating costs (OPEX) aspects. From the technological and scientific point of view, the physical transport phenomena in SOCs need to be understood which can be done by the help of experimental and numerical investigations. Cheaper and long-lasting material alternatives may be found for the cell, stack and system development afterwards. Detailed experimental investigations usually require a lot of effort in time and data analysis. To promote the scientific and technological studies on the SOC technology, numerical investigations by using multiscale and multiphysical models are carried out in this work. The models include an in-house designed/written phase field model (PFM) 1, and an open-source based computational fluid dynamics (CFD) model, openFuelCell2 2 (based on OpenFOAM). The former accounts for the microstructure evolution of the Ni/YSZ composition. The latter addresses the multiphysical transport processes in different phases, i.e., ionic transfer in YSZ, electronic transfer in Ni, and the gas diffusion in the gas phase. The figure below shows the computational domain and different phases in the numerical simulations. The evolution of Ni/YSZ composition can be predicted by the PFM. It is supposed to reproduce the Ni agglomeration that has been observed in SOFC long-term experiments 3. The simulation result shown at the left-most is obtained by performing the PFM simulation (with 96 x 96 x 96 voxels) representing the microstructure change for a certain time duration. The computational domain (192 x 192 x 192 voxels) consists of three phases, namely, YSZ, Ni, and gas, as shown in the middle and on the right side. It is refined in each direction to better capture the triple phase regions (lower right) shared by the three phases, which refers to the active sites that enable the electrochemical reaction to be conducted. By applying different governing equations on these phases, the CFD model, openFuelCell2, can describe the transport phenomena numerically. Hence, the performance degradation of a SOFC due to Ni agglomeration can be captured by carrying out the simulations for different time durations. The effective properties may be derived as well so that they can be used in numerical simulations with larger scales. Acknowledgement The authors would like to thank their colleagues at Forschungszentrum Jülich GmbH for their great support and the Helmholtz Society, the German Federal Ministry of Education and Research as well as the Ministry of Culture and Science of the Federal State of North Rhine-Westphalia for financing these activities as part of the Living Lab Energy Campus. References Q. Li, L. Liang, K. Gerdes, and L.-Q. Chen, Appl. Phys. Lett., 101, 033909 (2012). S. Zhang, S. Hess, H. Marschall, U. Reimer, S. B. Beale, and W. Lehnert, Computer Physics Communications, to be submitted (2023). C. E. Frey, Q. Fang, D. Sebold, L. Blum, and N. H. Menzler, J. Electrochem. Soc., 165, F357 (2018). Figure 1
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Steinberg, A. B., F. Maucher, S. V. Gurevich, and U. Thiele. "Exploring bifurcations in Bose–Einstein condensates via phase field crystal models." Chaos: An Interdisciplinary Journal of Nonlinear Science 32, no. 11 (November 2022): 113112. http://dx.doi.org/10.1063/5.0101401.
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To facilitate the analysis of pattern formation and the related phase transitions in Bose–Einstein condensates, we present an explicit approximate mapping from the nonlocal Gross–Pitaevskii equation with cubic nonlinearity to a phase field crystal (PFC) model. This approximation is valid close to the superfluid–supersolid phase transition boundary. The simplified PFC model permits the exploration of bifurcations and phase transitions via numerical path continuation employing standard software. While revealing the detailed structure of the bifurcations present in the system, we demonstrate the existence of localized states in the PFC approximation. Finally, we discuss how higher-order nonlinearities change the structure of the bifurcation diagram representing the transitions found in the system.
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Yoon, Sungha, Darae Jeong, Chaeyoung Lee, Hyundong Kim, Sangkwon Kim, Hyun Geun Lee, and Junseok Kim. "Fourier-Spectral Method for the Phase-Field Equations." Mathematics 8, no. 8 (August 18, 2020): 1385. http://dx.doi.org/10.3390/math8081385.
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In this paper, we review the Fourier-spectral method for some phase-field models: Allen–Cahn (AC), Cahn–Hilliard (CH), Swift–Hohenberg (SH), phase-field crystal (PFC), and molecular beam epitaxy (MBE) growth. These equations are very important parabolic partial differential equations and are applicable to many interesting scientific problems. The AC equation is a reaction-diffusion equation modeling anti-phase domain coarsening dynamics. The CH equation models phase segregation of binary mixtures. The SH equation is a popular model for generating patterns in spatially extended dissipative systems. A classical PFC model is originally derived to investigate the dynamics of atomic-scale crystal growth. An isotropic symmetry MBE growth model is originally devised as a method for directly growing high purity epitaxial thin film of molecular beams evaporating on a heated substrate. The Fourier-spectral method is highly accurate and simple to implement. We present a detailed description of the method and explain its connection to MATLAB usage so that the interested readers can use the Fourier-spectral method for their research needs without difficulties. Several standard computational tests are done to demonstrate the performance of the method. Furthermore, we provide the MATLAB codes implementation in the Appendix A.
Dissertations / Theses on the topic "Phase-Field Models (PFM)"
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Noel, Matthieu. "Modélisation déterministe et probabiliste de la rupture par champ de phase et identification expérimentale pour la fissuration des structures en bois dans l’ameublement." Electronic Thesis or Diss., Université Gustave Eiffel, 2024. http://www.theses.fr/2024UEFL2061.
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Dans le domaine de l'ameublement, garantir la sécurité des structures conformément aux normes européennes représente un enjeu important pour les fabricants de meubles. Avant leur commercialisation, les meubles sont soumis à des tests de validation normalisés, qui ne permettent de connaître leur comportement mécanique qu'a posteriori. Cette thèse vise à développer des outils de modélisation et de simulation numérique pour prédire la rupture par fissuration au niveau des connexions entre les éléments de meuble. Pour atteindre cet objectif, l'approche méthodologique combine la modélisation et la simulation numérique avec des essais expérimentaux. Elle utilise la méthode des éléments finis couplée à des modèles de rupture/endommagement par champ de phase pour simuler la fissuration dans des matériaux élastiques linéaires isotropes et anisotropes, dans un cadre déterministe et probabiliste. Une campagne d'essais expérimentaux est menée sur des échantillons d'épicéa troués soumis en compression uniaxiale, afin de reproduire les mécanismes de fissuration observés dans des structures réelles, notamment dans les connexions de lits en hauteur. Une procédure d'identification est développée et mise en place pour caractériser les propriétés élastiques et d'endommagement de l'épicéa, en exploitant notamment des mesures expérimentales de champs de déplacement obtenues par corrélation d'images numériques. Une méthode d'accélération des simulations d'endommagement par champ de phase est proposée pour réduire leur coût élevé en temps de calcul. Cette approche permet de prédire, indépendamment du type de connexions, le déplacement ou la force critique précédant l'amorçage de la fissuration. Les résultats numériques indiquent que, sous réserve d'appliquer des conditions aux limites réalistes et d'avoir correctement identifié les propriétés du matériau, le critère d'amorçage de fissure s'avère utile pour prédire l'emplacement des zones potentiellement endommagées/fissurées et fournir un ordre de grandeur cohérent pour l'effort ou le déplacement nécessaire à l'initiation de la fissuration. Ce critère requiert seulement une unique simulation dans le domaine élastique linéaire, suivi d'un post-traitement avec un modèle d'endommagement par champ de phase, afin de faciliter son utilisation dans un contexte industriel, en particulier le secteur de l'ameublement. Les outils numériques développés, accessibles en open source, pourraient aider les industriels de l'ameublement à prédire la rupture fragile dans le bois et à optimiser la conception des meubles, tout en garantissant la conformité aux normes de sécuritéIn the furniture industry, ensuring the safety of structures in accordance with European standards presents a significant challenge for furniture manufacturers. Before commercialization, furniture are subjected to standardized validation tests, which only allow for a retrospective understanding of its mechanical behavior. This thesis aims to develop modeling and numerical simulation tools to predict the cracking failure mechanism at the connections between furniture elements. To achieve this objective, the methodological approach combines modeling and numerical simulation with experimental testing. It employs the finite element method coupled with phase-field fracture/damage models to simulate cracking in linear elastic isotropic and anisotropic materials within a deterministic and probabilistic framework. An experimental testing campaign is conducted on perforated spruce wood samples subjected to uniaxial compression to reproduce the cracking mechanisms observed in real structures, particularly in the connections of high loft beds. An identification procedure is developed and implemented to characterize the elastic and damage properties of spruce wood, in particular by exploiting experimental displacement field measurements obtained through digital image correlation. A method for accelerating phase-field damage simulations is proposed to reduce their high computational cost. This approach allows for the prediction, independently of the type of connections, of the displacement or critical force preceding crack initiation. The numerical results indicate that, provided realistic boundary conditions are applied and the material properties are correctly identified, the crack initiation criterion is useful for predicting the location of potentially damaged/cracked areas and providing a consistent order of magnitude of the force or displacement required to initiate cracking. This criterion only requires a single linear elastic simulation, followed by a post-processing with a phase-field damage model, to facilitate its use in an industrial context, in particular the furniture sector. The numerical tools developed, available in open source, could help furniture manufacturers to predict brittle fracture in wood and optimize furniture design, while guaranteeing compliance with safety standards
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Yoon, Hyunse. "Phase-averaged stereo-PIV flow field and force/moment/motion measurements for surface combatant in PMM maneuvers." Diss., University of Iowa, 2009. https://ir.uiowa.edu/etd/453.
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Towing-tank experiments are performed for a surface combatant as it undergoes static and dynamic planar motion mechanism maneuvers in calm water. The data includes global forces/moment/motions and phase-averaged local flow-fields, and uncertainty assessment. The geometry is DTMB model 5512, which is a 1/46.6 scale geosym of DTMB model 5415, with L = 3.048 m. The experiments are performed in a 3.048 × 3.048 × 100 m towing tank. The measurement system features a custom designed planar motion mechanism, a towed stereoscopic particle image velocimetry system, a Krypton contactless motion tracker, and a 6-component loadcell. The forces/moment and UA are conducted in collaboration with two international facilities (FORCE and INSEAN), including test matrix and overlapping tests using the same model geometry but with different scales. Quality of the data is assessed by monitoring the statistical convergence, including tests for randomness, stationarity, and normality. Uncertainty is assessed following the ASME Standards (1998 and 2005). Hydrodynamic derivatives are determined from the forces/moment data by using the Abkowitz (1966) mathematical model, with two different 'Multiple-Run (MR)' and 'Single-Run (SR)' methods. The results for reconstructions of the forces/moment indicate that usually the MR method is more accurate than the SR. Comparisons are made of the hydrodynamic derivatives across different facilities. The scale effect is small for sway derivatives, whereas considerable for yaw derivatives. Heave, pitch, and roll motions exhibit cross-coupling between the motions and forces and moment data, as expect based on ship motions theory. Hydrodynamic derivatives are compared between different mount conditions. Linear derivatives values are less sensitive to the mounting conditions, whereas the non-linear derivatives are considerably different. Phase-averaged flowfield results indicate maneuvering-induced vortices and their interactions with the turbulent boundary layer. The tests are sufficiently documented and detailed so as to be useful as benchmark EFD data for CFD validation.
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Bayle, Raphaël. "Simulation des mécanismes de changement de phase dans des mémoires PCM avec la méthode multi-champ de phase." Thesis, Institut polytechnique de Paris, 2020. http://www.theses.fr/2020IPPAX035.
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Les mémoires à changement de phases ont basées sur la variation de résistance d’un petit volume de matériau à changement de phase, l'information binaire étant codée à travers la phase amorphe ou cristalline du matériau. Le changement de phase permettant leur programmation est induit par effet Joule sous l’application d’un courant électrique. L’alliageGe2Sb2Te5 est largement utilisé pour les mémoires à changement de phase, car il cristallise rapidement et sans changement de composition. Cependant, pour obtenir la fiabilité requise pour certaines applications à haute température, notamment dans le secteur automobile, un alliage Ge-Sb-Te enrichi en Geest utilisé par la société STMicroelectronics. La cristallisation de cet alliage s’accompagne d’une ségrégation des espèces et de la formation d’une nouvelle phase cristalline. La répartition spatiale des phases et espèces est décisive pour le bon fonctionnement du point mémoire ; il est ainsi très important de pouvoir la prédire.Les modèles de champ de phase permettent,notamment aux échelles de temps et d’espace impliquées dans l’étude des mémoires à changement de phase, le suivi d’interface entre plusieurs domaines occupés par des phases différentes. Dans ce travail de thèse, un modèle multi-champ de phase permettant de simuler l’évolution de la répartition des phases et des espèces dans ce nouvel alliage a été développé.Les paramètres du modèle ont été déterminés à partir des données disponibles sur l’alliage.Deux types de simulations ont été réalisées :d’une part, celle de la cristallisation, lors d’un recuit, d’une couche mince de matériau initialement déposé amorphe ; d’autre part, celle portant sur les changements de phase qui se produisent lors de l’application de champs de température typiques des opérations d’écriture des mémoires. La comparaison entre les résultats de simulations et expériences révèle que les caractéristiques principales des microstructures observées dans les expériences sont bien mises en évidence par le modèlePhase change memories (PCM) exploit the variation of resistance of a small volume of phase change material: the binary information is coded through the amorphous or crystalline phase of the material. The phase change is induced by an electrical current, which heats the material by the Joule effect. Because of its fast and congruent crystallization, theGe2Sb2Te5 alloy is widely used for PCM. Nevertheless, to get a better reliability at high temperatures, which is required e.g. for automotive applications, STMicroelectronics uses a Ge-rich GeSbTe alloy. In this alloy, chemical segregation and appearance of a new crystalline phase occur during crystallization. The distribution of phases and alloy components are critical for the proper functioning of the memory cell; thus, predictive simulations would be extremely useful. Phase field models are used for tracking interfaces between areas occupied by different phases. In this work, a multi-phase field model allowing simulating the distribution of phases and species in Ge-rich GeSbTe has been developed. The parameters of the model have been determined using available data on this alloy. Two types of simulations have been carried out, firstly to describe crystallization during annealing of initially amorphous deposited thin layer; secondly to follow the evolution of phase distribution during memory operation using temperature fields that are typical for those operations. Comparisons between simulations and experiments show that they both exhibit the same features
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Kozubík, Lukáš. "Návrh a optimalizace tlumiče teplotních fluktuací využívající latentní teplo fázové přeměny." Master's thesis, Vysoké učení technické v Brně. Fakulta strojního inženýrství, 2018. http://www.nusl.cz/ntk/nusl-392834.
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The goal of this master’s thesis is creating a model of the attenuation of the fluid temperature fluctuations using methods described in the thesis. PCM is used to attenuation of fluctuations. This thesis is example of utilization PCM in technical practice. Numerical calculation of PCM phase change uses the method of effective heat capacity and enthalpy method. A part of this thesis also forms a theoretical basis for heat transfer described by differential equations. The final part of the thesis is dedicated to the optimization of the model and the description of the optimization methods.
Book chapters on the topic "Phase-Field Models (PFM)"
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Bulatov, Vasily, and Wei Cai. "Phase Field Method." In Computer Simulations of Dislocations. Oxford University Press, 2006. http://dx.doi.org/10.1093/oso/9780198526148.003.0016.
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The phase field method (PFM) can be used as an approach to dislocation dynamics simulations alternative to the line DD method discussed in Chapter 10. The degrees of freedom in PFM are continuous smooth fields occupying the entire simulation volume, and dislocations are identified with locations where the field values change rapidly. As we will see later, as an approach to dislocation dynamics simulations PFM holds several advantages. First, it is easier to implement into a computer code than a line DD model. In particular, the complex procedures for making topological changes (Section 10.4) are no longer necessary. Second, the implementation of PFM can take advantage of well-developed and efficient numerical methods for solving partial differential equations (PDEs). Another important merit of PFM is its applicability in a wide range of seemingly different situations. For example, it is possible to simulate the interaction and co-evolution of several types of material microstructures, such as dislocations and alloying impurities, within a unified model. PFM has become popular among physicists and materials scientists over the last 20 years, but as a numerical method it is not new. After all, it is all about solving PDEs on a grid. Numerical integration of PDEs is a vast and mature area of computational mathematics. A number of efficient methods have already been developed, such as the finite difference method [121], the finite element method [122], and spectral methods [123], all of which have been used in PFM simulations. The relatively new aspects of PFM are associated with the method’s formulation and applications, which are partly driven by the growing interest in understanding material microstructures. In Section 11.1, we begin with the general aspects of PFM demonstrated by two simple applications of the method not related to dislocations. Section 11.2 describes the elements required to adapt PFM to dislocation simulations. There we will briefly venture into the field of micromechanics and consider the concept of eigenstrain. The elastic energy of an arbitrary eigenstrain field is derived in Section 11.3. Section 11.4 discusses an example in which the PFM equations for dislocations are solved using the fast Fourier transform method.
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Xie, Guizhong, Hangqi Jia, Liangwen Wang, Wenliao Du, Yunqiao Dong, Yudong Zhong, Chongmao Zhao, Beibei Fu, and Shuaiqiang Xu. "Prediction of Remaining Life of Structure Based on Phase-Field Method." In Advances in Transdisciplinary Engineering. IOS Press, 2023. http://dx.doi.org/10.3233/atde230143.
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In this work, a new approach for forecasting the remaining useful lifespan (RUL) of mechanical structure is described, which combines phase-field method (PFM) technology and the neural network (NN) technology. Firstly, the brittle fracture damage model is established according to the PFM. And the sample data, which are strain value and lifespan value at the observation locations of the damage model, are obtained by numerical simulation. Then, the obtained sample set is input into the NN as a training sample. And a mathematical model, which can forecast the structure’s RUL, is obtained by training. Finally, we assess the rationality of the proposed standpoint by means of a numerical simulation of a cracked plate. It is demonstrated that the presented approach for forecasting the remaining useful lifespan of the mechanical structure, which combines the PFM and NN technology, has a high performance.
Conference papers on the topic "Phase-Field Models (PFM)"
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Kawaguchi, Munemichi. "Phase-Field Model for Recrystallization of Impurities in Sodium Coolant." In 2021 28th International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2021. http://dx.doi.org/10.1115/icone28-65721.
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Abstract In researches and developments (R&Ds) on sodium (Na) management technology, the experimental data related to a cold trap and a plugging meter have been accumulated in each country because the impurities such as sodium oxide (Na2O), sodium hydride (NaH) and/or sodium hydroxide (NaOH) in Na coolant accelerate the corrosion on the stainless-steel surface. The cold trap has stainless-steel wire mesh and wall where the saturated impurities are recrystallized to remove the impurity in the Na coolant. Similarly, the plugging meter has stainless-steel orifice where the saturated impurities are recrystallized to measure the saturation concentration (plug temperature). The recrystallization is common physical chemistry phenomena, in which is dominated by the temperature and the concentration. To date, a phase-field model (PFM) has been developed extensively as a powerful tool to predict microstructure evolution of micro–meso scale. Especially, the PFM has some simulation merits: it can calculate movement of interface without explicit trace of the interface (calculate robustly the large deformation), and this simulation results are known to be consistent with the thermodynamics data. In this study, we developed the simulation models for complex recrystallization of one impurity in Na coolant using the PFM, and confirmed that the simulation results are reasonable for the experimental data with the operating experience. In the simulation results for the one impurity of Na2O or NaH, we concluded that the kinetics of recrystallization was determined by the solubility and/or diffusion behavior in liquid Na.
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Dibua, Obehi G., Anil Yuksel, Nilabh K. Roy, Chee S. Foong, and Michael Cullinan. "Nanoparticle Sintering Model, Simulation and Calibration Against Experimental Data." In ASME 2018 13th International Manufacturing Science and Engineering Conference. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/msec2018-6383.
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One of the limitations of commercially available metal Additive Manufacturing (AM) processes is the minimum feature size most processes can achieve. A proposed solution to bridge this gap is microscale selective laser sintering (μ-SLS). The advent of this process creates a need for models which are able to predict the structural properties of sintered parts. While there are currently a number of good SLS models, the majority of these models predict sintering as a melting process, which is accurate for microparticles. However, when particles tend to the nanoscale, sintering becomes a diffusion process dominated by grain boundary and surface diffusion between particles. As such, this paper presents an approach to model sintering by tracking the diffusion between nanoparticles on a bed scale. Phase Field Modeling (PFM) is used in this study to track the evolution of particles undergoing sintering. Part properties such as relative density, porosity, and shrinkage are then calculated from the results of the PFM simulations. These results are compared to experimental data gotten from a Thermogravimetric Analysis done on dried copper nanoparticle inks, and the simulation constants are calibrated to match physical properties.
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Grose, Joshua, Obehi G. Dibua, Dipankar Behera, Chee S. Foong, and Michael Cullinan. "Simulation and Characterization of Nanoparticle Thermal Conductivity for a Microscale Selective Laser Sintering System." In ASME 2021 16th International Manufacturing Science and Engineering Conference. American Society of Mechanical Engineers, 2021. http://dx.doi.org/10.1115/msec2021-64048.
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Abstract Additive Manufacturing (AM) technologies are often restricted by the minimum feature size of parts they can repeatably build. The microscale selective laser sintering (μ-SLS) process, which is capable of producing single micron resolution parts, addresses this issue directly. However, the unwanted dissipation of heat within the powder bed of a μ-SLS device during laser sintering is a primary source of error that limits the minimum feature size of the producible parts. A particle scale thermal model is needed to characterize the thermal properties of the nanoparticles undergoing sintering and allow for the prediction of heat affected zones (HAZ) and the improvement of final part quality. Thus, this paper presents a method for the determination of the effective thermal conductivity of metal nanoparticle beds in a microscale selective laser sintering process using finite element simulations in ANSYS. CAD models of nanoparticle groups at various timesteps during sintering are developed from Phase Field Modeling (PFM) output data, and steady state thermal simulations are performed on each group. The complete simulation framework developed in this work is adaptable to particle groups of variable sizes and geometric arrangements. Results from the thermal models are used to estimate the thermal conductivity of the copper nanoparticles as a function of sintering duration.
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Takada, Naoki, Masaki Misawa, and Akio Tomiyama. "A Phase-Field Method for Interface-Tracking Simulation of Two-Phase Flows." In ASME 2005 Fluids Engineering Division Summer Meeting. ASMEDC, 2005. http://dx.doi.org/10.1115/fedsm2005-77367.
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For interface-tracking simulation of two-phase flows, we propose a new computational method, NS-PFM, combining Navier-Stokes (NS) equations with phase-field model (PFM). Based on the free energy theory, PFM describes an interface as a volumetric zone across which physical properties vary continuously. Surface tension is defined as an excessive free energy per unit area induced by density gradient. Consequently, PFM simplifies the interface-tracking procedure by use of a standard technique. The proposed NS-PFM was applied to several problems of incompressible, isothermal two-phase flow with the same density ratio as that of an air-water system. In this method, the Cahn-Hilliard (CH) equation was used for predicting interface configuration. It was confirmed through numerical simulations that (1) the flux driven by chemical potential gradient in the CH equation plays an important role in interfacial advection and reconstruction, (2) the NS-PFM gives good predictions for pressure increase inside a bubble caused by the surface tension, (3) coalescence of liquid film and single drop falling through a stagnant gas was well simulated, and (4) collapse of liquid column under gravity was predicted in good agreement with other available data. Then, another version of NS-PFM was proposed and applied to a direct simulation of bubble nucleation of a non-ideal fluid in the vicinity of the critical point, which demonstrated the capability of NS-PFM to capture liquid-vapor interface motion in boiling and condensation.
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Takada, Naoki, and Akio Tomiyama. "Interface-Tracking Simulation of Two-Phase Flows by Phase-Field Method." In ASME 2006 2nd Joint U.S.-European Fluids Engineering Summer Meeting Collocated With the 14th International Conference on Nuclear Engineering. ASMEDC, 2006. http://dx.doi.org/10.1115/fedsm2006-98536.
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The purpose of this study is to examine multi-physics computational fluid dynamics method, NS-PFM, which is a combination of Navier-Stokes (NS) equations with phase-field model (PFM) based on the free-energy theory, for interface-capturing/tracking simulation of two-phase flows. First, a new NS-PFM which we have proposed was applied to immiscible, incompressible, isothermal two-phase flow problems with a high density ratio equivalent to that of an air-water system. In this method, a Cahn-Hilliard equation was used for prediction of diffusive interface configuration. The numerical simulations demonstrated that (1) predicted collapse of two-dimensional liquid column in a gas under gravity agreed well with available data at aspect ratios of column = 1 and 2, and (2) coalescence of free-fall drops into a liquid film was successfully simulated in three dimensions. Second, we took heat transfer into account in another NS-PFM which solves a full set of NS equations and the van-der-Waals equation of state. Through a numerical simulation of a non-ideal fluid flow in the vicinity of the critical point, it was confirmed that the NS-PFM is applicable to thermal liquid-vapor flow problems with phase change.
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MIN, Kyung Mun. "Computational thermo-mechanical process design by integrating crystal plasticity and phase field model." In Material Forming. Materials Research Forum LLC, 2024. http://dx.doi.org/10.21741/9781644903131-242.
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Abstract. An integrated model, merging the crystal plasticity finite element model (CPFEM) and the phase field model (PFM), is introduced for simulating the thermo-mechanical processing of ultra-low carbon steels. CPFEM serves as the mechanical simulation tool, forecasting deformation inconsistencies such as local stress concentration, inhomogeneous dislocation distribution, and shear bands. Meanwhile, PFM is utilized for predicting microstructural evolution, particularly nucleation and growth during heat treatments. To seamlessly integrate CPFEM and PFM, which are based on the finite element and finite difference methods respectively, an optimized coupling algorithm is utilized to avoid excessive computational cost. Importantly, a generalized strain energy release maximization model is integrated into the PFM, which leverages the analytical outcomes of CPFEM to predict the recrystallization texture of steels, factoring in multiple slip activities under mechanical loading conditions. The proposed model is applied to evaluate the anisotropy and formability of the thermo-mechanically processed ultra-low carbon steel through virtual mechanical experiments.
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Takada, Naoki. "Application of Interface-Tracking Method Based on Phase-Field Model to Numerical Analysis of Isothermal and Thermal Two-Phase Flows." In ASME/JSME 2007 5th Joint Fluids Engineering Conference. ASMEDC, 2007. http://dx.doi.org/10.1115/fedsm2007-37567.
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For interface-tracking simulation of two-phase flows in various micro-fluidics devices, the applicability of two versions of Navier-Stokes phase-field method (NS-PFM) was examined, combining NS equations for a continuous fluid with a diffuse-interface model based on the van der Waals-Cahn-Hilliard free-energy theory. Through the numerical simulations, the following major findings were obtained: (1) The first version of NS-PFM gives good predictions of interfacial shapes and motions in an incompressible, isothermal two-phase fluid with high density ratio on solid surface with heterogeneous wettability. (2) The second version successfully captures liquid-vapor motions with heat and mass transfer across interfaces in phase change of a non-ideal fluid around the critical point.
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Toloui, Morteza, and Matthias Militzer. "Phase Field Modelling of Microstructure Evolution in the HAZ of X80 Linepipe Steel." In 2012 9th International Pipeline Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/ipc2012-90378.
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The heat affected zone (HAZ) during welding experiences a very steep temperature gradient which results in significant microstructure gradients. Thus, model approaches on the length scale of the microstructure, i.e. the so-called mesoscale, are useful to accurately simulate microstructure evolution in the HAZ. In this study, a phase field model (PFM) is employed to simulate austenite grain growth and austenite decomposition in the HAZ of an X80 linepipe steel microalloyed with Nb and Ti. The interfacial mobilities and nucleation conditions are obtained by benchmarking the PFM with experimental data from austenite grain growth and continuous cooling transformation tests. An effective grain boundary mobility is introduced for austenite grain growth to implicitly account for dissolution of NbC. Subsequently, austenite decomposition into polygonal ferrite and bainite is considered. For this purpose the PFM is coupled with a carbon diffusion model. Ferrite nuclei are introduced at austenite grain boundaries and suitable interfacial mobilities are selected to reproduce experimental ferrite formation kinetics. Bainite nucleation occurs for a sufficiently high undercooling at available interface sites (i.e. austenite grain boundaries and/or austenite-ferrite interfaces). For simplicity, the formation of carbide-free bainite is considered and a suitable anisotropy approach is proposed for the austenite-bainite interface mobility. The model is then used to predict austenite grain growth and phase transformation in the HAZ.
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Abubakar, Abba A., Khaled S. Al-Athel, and Syed S. Akhtar. "Computational Modeling of Extreme Particles Deformation and Grain Refinement During Cold Spray Deposition." In ASME 2023 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2023. http://dx.doi.org/10.1115/imece2023-112993.
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Abstract When deposition parameters are carefully set, cold spraying can successfully deposit composite coatings with customized characteristics. To avoid conducting repeated experimental trials, numerical simulations are critically needed to optimize the cold spray deposition parameters. During cold spraying of the composite layer, extreme particle deformation and temperature rise occur due to the complex interactions among dissimilar particles; hence, the coating layer properties vary across the thickness. In the cold spray literature, particle grain refinement is not considered in numerical simulation studies. The present study uses a physics-based hybrid computational technique to simulate multi-material particle deformation during the cold spray deposition of Ni-Al2O3 coating utilized for wear applications. The hybrid approach effectively combines point cloud and finite element models to simulate particle deformation and interactions during the cold spray process. An attempt to predict the grain refinement due to extreme deformation and dynamic recrystallization of deformed particles is made for the first time using the phase field method (PFM). The strain field and temperature distribution are used to predict the grain size evolution in the deformed particles. The numerical simulation results are validated by comparing them with those of experiments. The results show that the softer Ni (matrix) particles undergo higher deformation, and their deformation pattern is strongly affected by the presence of neighboring Al2O3 particles. Due to higher plastic strain and strain rate, the particle’s deformation affects the grain size evolution, mainly in the Ni matrix material. The extremely deformed regions, such as Ni particle interfaces and edges, demonstrate the possibility for grain refinement according to simulation data on strain rate, temperature, and deformation among dissimilar particles. The current study aims to establish a reliable numerical methodology for the optimization and prediction of properties of composite made from cold spraying.
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Sahoo, Seshadev, and Kevin Chou. "Review on Phase-Field Modeling of Microstructure Evolutions: Application to Electron Beam Additive Manufacturing." In ASME 2014 International Manufacturing Science and Engineering Conference collocated with the JSME 2014 International Conference on Materials and Processing and the 42nd North American Manufacturing Research Conference. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/msec2014-3901.
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Powder-bed electron beam additive manufacturing (EBAM) is a relatively new technology to produce metallic parts in a layer by layer fashion by melting and fusing metallic powders. EBAM is a rapid solidification process and the properties of the parts depend on the solidification behavior as well as the microstructure of the build material. Thus, the prediction of part microstructures during the process may be an important factor for process optimization. Nowadays, the increase in computational power allows for direct simulations of microstructures during materials processing for specific manufacturing conditions. Among different methods, phase-field modeling (PFM) has recently emerged as a powerful computational technique for simulating microstructure evolutions at the mesoscale during a rapid solidification process. PFM describes microstructures using a set of conserved and non-conserved field variables and the evolution of the field variables are governed by Cahn-Hilliard and Allen-Cahn equations. By using the thermodynamics and kinetic parameters as input parameters in the model, PFM is able to simulate the evolution of complex microstructures during materials processing. The objective of this study is to achieve a thorough review of PFM techniques used in various processes, attempted for an application to microstructure evolutions during EBAM. The concept of diffuse interfaces, phase field variables, thermodynamic driving forces for microstructure evolutions and the kinetic phase-field equations are described in this paper.
Reports on the topic "Phase-Field Models (PFM)"
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Allen, Jeffrey, Robert Moser, Zackery McClelland, Md Mohaiminul Islam, and Ling Liu. Phase-field modeling of nonequilibrium solidification processes in additive manufacturing. Engineer Research and Development Center (U.S.), December 2021. http://dx.doi.org/10.21079/11681/42605.
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This project models dendrite growth during nonequilibrium solidification of binary alloys using the phase-field method (PFM). Understanding the dendrite formation processes is important because the microstructural features directly influence mechanical properties of the produced parts. An improved understanding of dendrite formation may inform design protocols to achieve optimized process parameters for controlled microstructures and enhanced properties of materials. To this end, this work implements a phase-field model to simulate directional solidification of binary alloys. For applications involving strong nonequilibrium effects, a modified antitrapping current model is incorporated to help eject solute into the liquid phase based on experimentally calibrated, velocity-dependent partitioning coefficient. Investigated allow systems include SCN, Si-As, and Ni-Nb. The SCN alloy is chosen to verify the computational method, and the other two are selected for a parametric study due to their different diffusion properties. The modified antitrapping current model is compared with the classical model in terms of predicted dendrite profiles, tip undercooling, and tip velocity. Solidification parameters—the cooling rate and the strength of anisotropy—are studied to reveal their influences on dendrite growth. Computational results demonstrate effectiveness of the PFM and the modified antitrapping current model in simulating rapid solidification with strong nonequilibrium at the interface.