Multigrain phase-field simulation in ferroelectrics with phase coexistences: An improved phase-field model

2022 ◽  
Vol 203 ◽  
pp. 111056
Author(s):  
Ling Fan ◽  
Walter Werner ◽  
Swen Subotić ◽  
Daniel Schneider ◽  
Manuel Hinterstein ◽  
...  
Keyword(s):  
Phase Field ◽  
Field Model ◽  
Phase Field Model ◽  
Phase Field Simulation ◽  
Field Simulation

Phase Field Modeling of Solute Trapping in a Al-Sn Alloy during Rapid Solidification

2014 ◽  
Vol 794-796 ◽  
pp. 740-745 ◽  
Author(s):  
Xiong Yang ◽  
Li Jun Zhang ◽  
Yong Du
Keyword(s):  
Rapid Solidification ◽  
Phase Field ◽  
Field Model ◽  
Kinetic Equations ◽  
Phase Field Model ◽  
Interface Velocity ◽  
Interface Energy ◽  
Phase Field Simulation ◽  
Solute Trapping ◽  
Field Simulation

During rapid solidification, interfaces are often driven far from equilibrium and the "solute trapping" phenomenon is usually observed. Very recently, a phase field model with finite interface dissipation, in which separate kinetic equations are assigned to each phase concentration instead of an equilibrium partitioning condition, has been newly developed. By introducing the so-called interface permeability, the phase field model with finite interface dissipation can nicely describe solute trapping during solidification in the length scale of micrometer. This model was then applied to perform a phase field simulation in a Al-Sn alloy (Al-0.2 at.% Sn) during rapid solidification. A simplified linear phase diagram was constructed for providing the reliable driving force and potential information. The other thermophysical parameters, such as interface energy and diffusivities, were directly taken from the literature. As for the interface mobility, it was estimated via a kinetic relationship in the present work. According to the present phase field simulation, the interface velocity increases as temperature decreases, resulting in the enhancement of solute trapping. Moreover, the simulated solute segregation coefficients in Al-0.2 at.% Sn can nicely reproduce the experimental data.

scholarly journals Comparative analysis of different numerical schemes in solute trapping simulations by using the phase-field model with finite interface dissipation

2016 ◽  
Vol 52 (1) ◽  
pp. 77-85 ◽  
Author(s):  
X. Yang ◽  
Y. Tang ◽  
D. Cai ◽  
L. Zhang ◽  
Y. Du ◽  
...  
Keyword(s):  
Comparative Analysis ◽  
Phase Field ◽  
Field Model ◽  
Phase Field Model ◽  
Explicit Scheme ◽  
Numerical Schemes ◽  
Phase Field Simulation ◽  
Solute Trapping ◽  
Field Simulation ◽  
Relaxation Scheme

Two different numerical schemes, the standard explicit scheme and the time-elimination relaxation one, in the framework of phase-field model with finite interface dissipation were employed to investigate the solute trapping effect in a Si-4.5 at.% As alloy during rapid solidification. With the equivalent input, a unique solute distribution under the steady state can be obtained by using the two schemes without restriction to numerical length scale and interface velocity. By adjusting interface width and interface permeability, the experimental solute segregation coefficients can be well reproduced. The comparative analysis of advantages and disadvantages in the two numerical schemes indicates that the time-elimination relaxation scheme is preferable in one-dimensional phase-field simulation, while the standard explicit scheme seems to be the only choice for two- or three dimensional phase-field simulation. Furthermore, the kinetic phase diagrams in the Si-As system were predicted by using the phase-field simulation with the time-elimination relaxation scheme.

Phase-Field Simulation of Three-Dimensional Dendritic Growth

2010 ◽  
Vol 97-101 ◽  
pp. 3769-3772 ◽  
Author(s):  
Chang Sheng Zhu ◽  
Jun Wei Wang
Keyword(s):  
Computational Methods ◽  
Phase Field ◽  
Interfacial Energy ◽  
Dendritic Growth ◽  
Field Model ◽  
Three Dimensional ◽  
Phase Field Model ◽  
Computational Time ◽  
Field Simulation ◽  
Undercooled Melt

Based on a thin interface limit 3D phase-field model by coupled the anisotropy of interfacial energy and self-designed AADCR to improve on the computational methods for solving phase-field, 3D dendritic growth in pure undercooled melt is implemented successfully. The simulation authentically recreated the 3D dendritic morphological fromation, and receives the dendritic growth rule being consistent with crystallization mechanism. An example indicates that AADCR can decreased 70% computational time compared with not using algorithms for a 3D domain of size 300×300×300 grids, at the same time, the accelerated algorithms’ computed precision is higher and the redundancy is small, therefore, the accelerated method is really an effective method.

Phase-Field Simulation of Interface Effect during Grain Nucleation

2012 ◽  
Vol 490-495 ◽  
pp. 3339-3343
Author(s):  
Fei Huo ◽  
Ji Wei Zhao
Keyword(s):  
Grain Growth ◽  
Phase Field ◽  
Field Model ◽  
Landau Theory ◽  
Phase Field Model ◽  
Ginzburg Landau ◽  
Euler Formula ◽  
Topological Theory ◽  
Field Simulation ◽  
Simulation Results

In this paper, a phase field model based on Ginzburg-Landau theory is used to analyze the topological phenomena during grain growth. The simulation results show that two topological transformations exist during the grain growth—Neighbor Switching and Grain Annihilation; and we have found different kinds of topological events during the disappearance of a grain: direct vanishing of trilateral grain and pentagonal grain, as well as neighbor switching，which are right with classical topological theory and Euler formula. The simulation results are similar with experiments.

Phase-Field Modeling and Simulation of Nucleation and Growth of Recrystallized Grains

2007 ◽  
Vol 558-559 ◽  
pp. 1195-1200 ◽  
Author(s):  
Tomohiro Takaki ◽  
A. Yamanaka ◽  
Yoshihiro Tomita
Keyword(s):  
Dislocation Density ◽  
Crystal Plasticity ◽  
Phase Field ◽  
Subgrain Size ◽  
Boundary Migration ◽  
Phase Field Model ◽  
Phase Field Simulation ◽  
Spontaneous Nucleation ◽  
Field Simulation ◽  
Subgrain Rotation

The novel coupling recrystallization model is proposed in this study. First, the deformation microstructure was simulated by the finite element method based on the strain gradient crystal plasticity theory. The calculated dislocation density and crystal orientation were transferred to the recrystallization phase-field simulation. The initial subgrain structures used in phase-field simulation were determined by a relationship between dislocation density and subgrain size with the dislocation density distribution calculated by crystal plasticity simulation. The so-called KWC phase-field model, which can introduce both subgrain rotation and grain boundary migration, was employed, and spontaneous nucleation and grain growth were simulated simultaneously.

Phase Field Simulation of Solidified Multiple Grains

2012 ◽  
Vol 602-604 ◽  
pp. 1874-1877
Author(s):  
Hong Min Guo ◽  
Tao Wei ◽  
Xiang Jie Yang
Keyword(s):  
Latent Heat ◽  
Phase Field ◽  
Field Model ◽  
Phase Field Model ◽  
Dendrite Growth ◽  
Competitive Growth ◽  
Equiaxed Dendrite ◽  
Isothermal Conditions ◽  
Cu Alloy ◽  
Field Simulation

A phase-field model based on the Ginzburg-Landan theory and KKS model is used to simulate the dendrite growth of multiple grains for Al-Cu alloy. The influence of solidification latent heat and undercooling on the growth of equiaxed dendrite, solute distribution and temperature distribution were studied. The results show that the dendrite has well-developed and the competitive growth between grains more intense with the increasing of undercooling. The release of solidification latent heat restrain dendrite growth to a certain extent, which led to the less developed growth of dendrite solidified in non-isothermal conditions than that in isothermal conditions.

Phase-Field Simulation for Effect of Annealing Temperature on Oxygen Clusters’ Evolution in Silicon Wafer

2015 ◽  
Vol 1120-1121 ◽  
pp. 473-477
Author(s):  
Ji Xiang ◽  
Xiao Jun Guan ◽  
Jin Wang
Keyword(s):  
Low Temperature ◽  
Silicon Wafer ◽  
Phase Field ◽  
Annealing Temperature ◽  
Field Model ◽  
Phase Field Model ◽  
Experimental Basis ◽  
Low Temperature Annealing ◽  
Field Simulation ◽  
Average Size

In order to investigate the effect of annealing temperature on oxygen clusters’ evolution in silicon wafer during low temperature annealing, a phase-field model and it’s algorithm were established, and the changes of the oxygen clusters’ structure, amount (concentration) and sizes were simulated at different annealing temperature. The results show that when the temperature varies from 923 to 1023K, the oxygen clusters with reasonable amount and average size can be gained; when the temperature is too higher or lower, the suitable oxygen clusters cannot be found; it is verified that the established model and its algorithm have credible thermodynamics and experimental basis.

Phase-Field Simulation of Domain Structure Evolution in Ferroelectric Thin Films

2000 ◽  
Vol 652 ◽  
Author(s):  
Y. L. Li ◽  
S. Y. Hu ◽  
Z. K. Liu ◽  
L. Q. Chen
Keyword(s):  
Thin Films ◽  
Phase Transition ◽  
Domain Wall ◽  
Domain Structure ◽  
Phase Field ◽  
Field Model ◽  
Phase Field Model ◽  
Ferroelectric Thin Films ◽  
Structure Evolution ◽  
Field Simulation

ABSTRACTA phase-field model for predicting the domain structure evolution in constrained ferroelectric thin films is developed. It employs an analytical elastic solution derived for a constrained film with arbitrary eigenstrain distributions. In particular, the model is applied to the domain structure evolution during a cubic→tetragonal proper ferro- electric phase transition. The effect of substrate constraint on the volume fractions of domain variants, domain-wall orientations, and domain shapes is studied. It is shown that the predicted results agree very well with existing experimental observations in ferroelectric thin films.

scholarly journals Viscoplastic Phase Field Simulation of Microstructural Evolutions under Complex Loadings in Ni-Base Superalloys

2011 ◽  
Vol 278 ◽  
pp. 216-221
Author(s):  
Anaïs Gaubert ◽  
Yann Le Bouar ◽  
Alphonse Finel
Keyword(s):  
Phase Field ◽  
Field Model ◽  
Elastic Anisotropy ◽  
Phase Field Model ◽  
Coupled Model ◽  
Fatigue Loading ◽  
Long Range Order ◽  
Field Simulation ◽  
Superalloy Single Crystal ◽  
Base Superalloy

An elasto-viscoplastic phase field model is proposed to study the microstructural evolutions under mechanical loadings in a Ni-base superalloy single crystal. Elastic anisotropy and inhomogeneity, as well as the description of the long range order in the γ’ phase are included in the model. Plastic activity is introduced using a continuum crystal plasticity framework. The coupled model is used to study microstructural evolutions in superalloys under creep at high temperature. Two loading orientations are investigated, [001] and [011]. Moreover simulations under alternate fatigue loading in the [001] orientation are performed. The viscoplasticity simulations are compared to purely elastic phase field simulations and experiments in order to show the influence of plastic activity on microstructural evolutions.

Phase-Field Simulation during Spherulite Formation of Polymer

2007 ◽  
Vol 345-346 ◽  
pp. 939-942 ◽  
Author(s):  
Tomohiro Takaki ◽  
M. Asanishi ◽  
A. Yamanaka ◽  
Yoshihiro Tomita
Keyword(s):  
Numerical Model ◽  
Mechanical Behavior ◽  
Numerical Simulations ◽  
Phase Field ◽  
Field Model ◽  
Phase Field Model ◽  
Interface Energy ◽  
Field Simulation ◽  
Coupled Numerical Model ◽  
Spherulite Formation

The establishment of the coupled numerical model which enable to simulate the spherulite formation and its mechanical behavior continuously is our final goal. In this paper, we have developed Phase-field model for spherulte growth of polymer by generalizing the model proposed by Granasy et. al.. The numerical simulations for single spherulite and multi-sperulites have been performed with isotropic interface energy.

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