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材料结合热力学动力学耦合模拟平台开发

发表时间:2012-05-15  浏览量:1251  下载量:630
全部作者: 熊桦,黄智恒,伍智勇
作者单位: 中山大学物理科学与工程技术学院
摘 要: 拓展热力学计算软件MTDATA的计算编程接口使用方法,在C,Fortran,Python,Java和Matlab这5种程序语言中调用热力学计算软件Thermo-Calc和MTDATA的动态链接库,并同时调用COMSOL Multiphysics软件进行动力学模拟,组建一个集成材料模拟平台。该平台可以实现材料热力学、材料动力学、结合材料热力学-动力学耦合及基于材料微结构的多物理场耦合模拟。由于平台利用有限元法求解动力学控制方程,因此在处理复杂几何形状、一般边界条件及材料非线性问题等方面占有优势。展示了在该平台中典型合金热力学数据的利用、凝固过程的相场法模拟及相场晶体法模拟等应用实例。
关 键 词: 材料热力学与动力学;微结构模拟平台;相场法;相场晶体法
Title: Development of a thermodynamic and kinetic combined material modeling platform
Author: XIONG Hua, HUANG Zhiheng, WU Zhiyong
Organization: School of Physics and Engineering, Sun Yat-sen University
Abstract: The computational interface for thermodynamic calculations software MTDATA has been extended. Based on it, an integrated platform for materials modeling is developed for five programming languages including C, Fortran, Python, Java and Matlab, by calling the dynamic-link libraries of thermodynamic calculations software packages Thermo-Calc and MTDATA, and incorporating COMSOL Multiphysics for kinetic modeling. Thermodynamic modeling, kinetic modeling, combined thermodynamic and kinetic modeling, and microstructure-based multiphysics modeling can be conducted within the platform. The platform solves the governing equations of kinetic processes based on the finite element method, and therefore has advantages on handling complicated geometries, general boundary conditions and nonlinear material properties. Several application examples are presented, including the utilization of the thermodynamic data of typical alloys, and modeling of solidification using both a phase field model and a phase field crystal model.
Key words: thermodynamics and kinetics of materials; microstructure modeling platform; phase field; phase field crystal
发表期数: 2012年5月第9期
引用格式: 熊桦,黄智恒,伍智勇. 材料结合热力学动力学耦合模拟平台开发[J]. 中国科技论文在线精品论文,2012,5(9):865-871.
 
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