A calibrated Monte Carlo approach to quantify the impacts of misorientation and different driving forces on texture development
A calibrated Monte Carlo approach to quantify the impacts of misorientation and different driving forces on texture development
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DOI：
10.1016/j.actamat.2011.10.057
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发表时间：
2012-02
期刊：
影响因子：
9.4
通讯作者：
Liangzhe Zhang;A. Rollett;T. Bartel;Di Wu;M. Lusk
中科院分区：
文献类型：
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作者：
Liangzhe Zhang;A. Rollett;T. Bartel;Di Wu;M. Lusk
提出了一种校准蒙特卡罗 (cMC) 方法，该方法可量化一般设置内的晶界动力学。通过在自旋翻转概率方程中添加缩放系数来捕获错误取向的影响，同时使用配分函数对不同驱动力的贡献进行加权。校准过程依赖于蒙特卡罗 (MC) 和锐界面模型之间已建立的参数链接。 cMC 算法量化了复杂热机械环境下的微观结构演化，并解决了与传统 MC 模型相关的一些困难。经过验证后，cMC 方法可用于量化多晶材料的织构发展，以及跨晶界的定向错误和不均匀体能的影响。结果与理论和实验吻合良好。
A calibrated Monte Carlo (cMC) approach, which quantifies grain boundary kinetics within a generic setting, is presented. The influence of misorientation is captured by adding a scaling coefficient in the spin flipping probability equation, while the contribution of different driving forces is weighted using a partition function. The calibration process relies on the established parametric links between Monte Carlo (MC) and sharp-interface models. The cMC algorithm quantifies microstructural evolution under complex thermomechanical environments and remedies some of the difficulties associated with conventional MC models. After validation, the cMC approach is applied to quantify the texture development of polycrystalline materials with influences of misorientation and inhomogeneous bulk energy across grain boundaries. The results are in good agreement with theory and experiments.