A accelerated arithmetic algorithm of the dynamic computing regions was designed,and 3-dimensional numerical simulation of isothermal solidification for a binary alloy was implemented.The dendritic growth and the reca...A accelerated arithmetic algorithm of the dynamic computing regions was designed,and 3-dimensional numerical simulation of isothermal solidification for a binary alloy was implemented.The dendritic growth and the recalescence of Ni-Cu binary alloy during the solidification at different cooling rates were investigated.The effects of cooling rate on dendritic patterns and microsegregation patterns were studied.The computed results indicate that,with the increment of the cooling rate,the dendritic growth velocity increases,both the main branch and side-branches become slender,the secondary dendrite arm spacing becomes smaller,the inadequate solute diffusion in solid aggravates,and the severity of microsegregation ahead of interface aggravates.At a higher cooling rate,the binary alloy presents recalescence;while the cooling rate is small,no recalescence occurs.展开更多
Phase-field modeling approach has been used to study the oxidation behavior of pure Ni when considering heat conduction. In this calculation, the dependence of the coefficient of the Cahn–Hilliard equation Lc on the ...Phase-field modeling approach has been used to study the oxidation behavior of pure Ni when considering heat conduction. In this calculation, the dependence of the coefficient of the Cahn–Hilliard equation Lc on the temperature T was considered. To this end, high-temperature oxidation experiments and phase-field modeling for pure Ni were performed in air under atmospheric pressure at 600,700, and 800？C. The oxidation rate was measured by thermogravimetry and Lc at these temperatures was determined via interactive algorithm. With the Lc-T relationship constructed, oxidation behavior of Ni when considering heat conduction was investigated. The influence of temperature boundaries on the oxidation degree, oxide film thickness, and specific weight gain were discussed. The phase-field modeling approach proposed in this study will give some highlights of the oxidation resistance analysis and cooling measures design of thermal protection materials.展开更多
This paper presents a high order time discretization method by combining the semi-implicit spectral deferred correction method with energy stable linear schemes to simulate a series of phase field problems.We start wi...This paper presents a high order time discretization method by combining the semi-implicit spectral deferred correction method with energy stable linear schemes to simulate a series of phase field problems.We start with the linear scheme,which is based on the invariant energy quadratization approach and is proved to be linear unconditionally energy stable.The scheme also takes advantage of avoiding nonlinear iteration and the restriction of time step to guarantee the nonlinear system uniquely solvable.Moreover,the scheme leads to linear algebraic system to solve at each iteration,and we employ the multigrid solver to solve it efficiently.Numerical re-sults are given to illustrate that the combination of local discontinuous Galerkin(LDG)spatial discretization and the high order temporal scheme is a practical,accurate and efficient simulation tool when solving phase field problems.Namely,we can obtain high order accuracy in both time and space by solving some simple linear algebraic equations.展开更多
The influence of various material and computational parameters such as interface kinetic coefficient(β), surface energy(σ), anisotropy parameter(γ) and the noise amplitude(α) upon microsegregation patterns during ...The influence of various material and computational parameters such as interface kinetic coefficient(β), surface energy(σ), anisotropy parameter(γ) and the noise amplitude(α) upon microsegregation patterns during the crystal growth was investigated by using the phase-field model which incorporated the concentration field equations. The computed results indicate that, when the appropriate value is assigned to α, the fluctuant scope of solute composition in the solid is steady, and the influence of α on microsegregation is small; the larger the interface kinetic coefficient β, the more acutely the solute composition in the solid fluctuates, but the severity of microsegregation in the front interface reduces; with the increment of anisotropy parameter γ, the fluctuation of solute composition in the solid becomes more acutely, and the severity of microsegregation in the front interface aggravates; the larger surface energy σ, the smaller the fluctuant scope of solute composition in the solid is, and the smaller the degree of microsegregation is.展开更多
The explicit expression of Helmholtz free energy has been obtained from the equation of state from effiective field approach.From the Helmholtz free energy,four characteristic temperatures describing a first-order fer...The explicit expression of Helmholtz free energy has been obtained from the equation of state from effiective field approach.From the Helmholtz free energy,four characteristic temperatures describing a first-order ferroelectric phase transitions have been determined.The physical meaning of coe±cients in Landau-type free energy has been revealed by comparison with the expanding Helmholtz function.Temperature dependence of polarization under different bias,and hysteresis loops at different temperatures are presented and discussed.These results provide the basic understandings of the static properties of first-order ferroelectric phase transitions.展开更多
In this paper,based on the Lagrange Multiplier approach in time and the Fourierspectral scheme for space,we propose efficient numerical algorithms to solve the phase field crystal equation.The numerical schemes are u...In this paper,based on the Lagrange Multiplier approach in time and the Fourierspectral scheme for space,we propose efficient numerical algorithms to solve the phase field crystal equation.The numerical schemes are unconditionally energy stable based on the original energy and do not need the lower bound hypothesis of the nonlinear free energy potential.The unconditional energy stability of the three semi-discrete schemes is proven.Several numerical simulations in 2D and 3D are demonstrated to verify the accuracy and efficiency of our proposed schemes.展开更多
Phase field description of fracture is a very promising approach for simulating crack initiation, propagation, merging and branching. This method greatly reduces the implementation complexity, compared with discrete d...Phase field description of fracture is a very promising approach for simulating crack initiation, propagation, merging and branching. This method greatly reduces the implementation complexity, compared with discrete descriptions of cracks. In this work, we provide an overview of phase field models for quasistatic and dynamic cases. Afterward, we present useful vectors and matrices for the implementation of this method in two and three dimensions.展开更多
The thermodynamic properties of the ε phase of solid oxygen are studied by using the analytic mean field approach （AMFP）. Analytic expressions for the Helmholtz free energy, internal energy and equation of state of...The thermodynamic properties of the ε phase of solid oxygen are studied by using the analytic mean field approach （AMFP）. Analytic expressions for the Helmholtz free energy, internal energy and equation of state of solid oxygen have been derived based on the multi-exponential potential. The formulism for the case of double-exponential （DE） model is applied to the ε phase of solid oxygen. Its four potential parameters are determined through fitting the experimental compression data of the ε phase of solid oxygen. Numerical results of the pressure dependence of the volume calculated by using the AMFP are in good agreement with the original experimental data. This suggests that the AMFP is a useful approach to study the thermodynamic properties of the ε phase of solid oxygen. Furthermore, we predict the variation of the volume, lattice parameters and intermolecular distances with pressure, and some thermodynamic quantities versus volume, at several higher temperatures.展开更多
基金Project(10964004)supported by the National Natural Science Foundation of ChinaProject(20070231001)supported by Research Fund for the Doctoral Program of Higher Education of China+1 种基金Project(096RJZA104)supported by the Natural Science Foundation of Gansu Province,ChinaProject(SB14200801)supported by the Doctoral Fund of Lanzhou University of Technology
文摘A accelerated arithmetic algorithm of the dynamic computing regions was designed,and 3-dimensional numerical simulation of isothermal solidification for a binary alloy was implemented.The dendritic growth and the recalescence of Ni-Cu binary alloy during the solidification at different cooling rates were investigated.The effects of cooling rate on dendritic patterns and microsegregation patterns were studied.The computed results indicate that,with the increment of the cooling rate,the dendritic growth velocity increases,both the main branch and side-branches become slender,the secondary dendrite arm spacing becomes smaller,the inadequate solute diffusion in solid aggravates,and the severity of microsegregation ahead of interface aggravates.At a higher cooling rate,the binary alloy presents recalescence;while the cooling rate is small,no recalescence occurs.
基金supported by the Beijing Jiaotong University (Grant C15JB00080)
文摘Phase-field modeling approach has been used to study the oxidation behavior of pure Ni when considering heat conduction. In this calculation, the dependence of the coefficient of the Cahn–Hilliard equation Lc on the temperature T was considered. To this end, high-temperature oxidation experiments and phase-field modeling for pure Ni were performed in air under atmospheric pressure at 600,700, and 800？C. The oxidation rate was measured by thermogravimetry and Lc at these temperatures was determined via interactive algorithm. With the Lc-T relationship constructed, oxidation behavior of Ni when considering heat conduction was investigated. The influence of temperature boundaries on the oxidation degree, oxide film thickness, and specific weight gain were discussed. The phase-field modeling approach proposed in this study will give some highlights of the oxidation resistance analysis and cooling measures design of thermal protection materials.
基金Research of R.Guo is supported by NSFC grant No.11601490Research of Y.Xu is supported by NSFC grant No.11722112,91630207.
文摘This paper presents a high order time discretization method by combining the semi-implicit spectral deferred correction method with energy stable linear schemes to simulate a series of phase field problems.We start with the linear scheme,which is based on the invariant energy quadratization approach and is proved to be linear unconditionally energy stable.The scheme also takes advantage of avoiding nonlinear iteration and the restriction of time step to guarantee the nonlinear system uniquely solvable.Moreover,the scheme leads to linear algebraic system to solve at each iteration,and we employ the multigrid solver to solve it efficiently.Numerical re-sults are given to illustrate that the combination of local discontinuous Galerkin(LDG)spatial discretization and the high order temporal scheme is a practical,accurate and efficient simulation tool when solving phase field problems.Namely,we can obtain high order accuracy in both time and space by solving some simple linear algebraic equations.
基金Project(50005011) supported by the National Natural Science Foundation of China Project(2003AA4Z1070) supported by the National High-Tech Research and Development Program of China
文摘The influence of various material and computational parameters such as interface kinetic coefficient(β), surface energy(σ), anisotropy parameter(γ) and the noise amplitude(α) upon microsegregation patterns during the crystal growth was investigated by using the phase-field model which incorporated the concentration field equations. The computed results indicate that, when the appropriate value is assigned to α, the fluctuant scope of solute composition in the solid is steady, and the influence of α on microsegregation is small; the larger the interface kinetic coefficient β, the more acutely the solute composition in the solid fluctuates, but the severity of microsegregation in the front interface reduces; with the increment of anisotropy parameter γ, the fluctuation of solute composition in the solid becomes more acutely, and the severity of microsegregation in the front interface aggravates; the larger surface energy σ, the smaller the fluctuant scope of solute composition in the solid is, and the smaller the degree of microsegregation is.
基金The authors gratefully acknowledge to MICINN of Spain for supporting the project FIS2008-00715National Natural Science Foundation of China under Grant Nos.51172129,51172128 and 51102153.
文摘The explicit expression of Helmholtz free energy has been obtained from the equation of state from effiective field approach.From the Helmholtz free energy,four characteristic temperatures describing a first-order ferroelectric phase transitions have been determined.The physical meaning of coe±cients in Landau-type free energy has been revealed by comparison with the expanding Helmholtz function.Temperature dependence of polarization under different bias,and hysteresis loops at different temperatures are presented and discussed.These results provide the basic understandings of the static properties of first-order ferroelectric phase transitions.
基金The work of Q.Zhuang is supported by the National Natural Science Foundation of China(No.11771083)The research of S.Zhai is supported in part by the Natural Science Foundation of China(No.11701196)+3 种基金the Natural Science Foundation of Fujian Province(No.2020J01074)The work of Z.Weng is supported in part by the Natural Science Foundation of China(No.11701197)Supported by the Fundamental Research Funds for the Central Universities(No.ZQN-702)the Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education(Xiangtan University)(No.2020ICIP03).
文摘In this paper,based on the Lagrange Multiplier approach in time and the Fourierspectral scheme for space,we propose efficient numerical algorithms to solve the phase field crystal equation.The numerical schemes are unconditionally energy stable based on the original energy and do not need the lower bound hypothesis of the nonlinear free energy potential.The unconditional energy stability of the three semi-discrete schemes is proven.Several numerical simulations in 2D and 3D are demonstrated to verify the accuracy and efficiency of our proposed schemes.
基金the National Natural Science Foundation of China(No.11402146)the Young 1000 Talent Program of China
文摘Phase field description of fracture is a very promising approach for simulating crack initiation, propagation, merging and branching. This method greatly reduces the implementation complexity, compared with discrete descriptions of cracks. In this work, we provide an overview of phase field models for quasistatic and dynamic cases. Afterward, we present useful vectors and matrices for the implementation of this method in two and three dimensions.
基金supported by the Joint Foundation of National Natural Science Foundation of China and China Academy of Engineering Physics (Grant No 10476007)the Program for New Century Excellent Talents in University (Grant No NCET-05-0799)the Program for Excellent Talents of University of Electronic Science and Technology (Grant No 23601008)
文摘The thermodynamic properties of the ε phase of solid oxygen are studied by using the analytic mean field approach （AMFP）. Analytic expressions for the Helmholtz free energy, internal energy and equation of state of solid oxygen have been derived based on the multi-exponential potential. The formulism for the case of double-exponential （DE） model is applied to the ε phase of solid oxygen. Its four potential parameters are determined through fitting the experimental compression data of the ε phase of solid oxygen. Numerical results of the pressure dependence of the volume calculated by using the AMFP are in good agreement with the original experimental data. This suggests that the AMFP is a useful approach to study the thermodynamic properties of the ε phase of solid oxygen. Furthermore, we predict the variation of the volume, lattice parameters and intermolecular distances with pressure, and some thermodynamic quantities versus volume, at several higher temperatures.
