一种考虑晶界能各向异性模拟晶粒长大的Monte Carlo方法

A Monte Carlo Simulation of Grain Growth with Grain Boundary Energy Anisotropy Considered

一般的Monte Carlo模型都没有考虑晶界能的差异。奉研究根据晶界两侧晶粒的取向差及其与重合晶界的关系提出了晶界能分布的连续函数表达式,并且将其应用于Monte Carlo模型模拟晶粒长大过程。引入了该能量函数的Monte Carlo模型模拟的结果显示,随着晶粒长大的进行,具有低能量的重合晶界百分数增大,同时该模型模拟的重合晶界百分数明显地强于未引入该能量函数的Monte Carlo模型模拟的结果。并且采用该模型模拟的微观组织更加接近于实际观察到的平衡组织。

Grain boundary energy anisotropy is usually ignored in Monte Carlo (MC) simulation of grain growth. An energy spectrum function based on the relation between disorientation and Coincidence Site Lattice (CSL) is proposed in the present paper,which is incorporated in a MC model to simulate grain growth.The simulation results demonstrate that the frequency of CSL boundary increases with the grain growth and the frequency of CSL boundary is greater than that in traditional MC models. And with the MC model in the present paper, a more balanced microstructure can be obtained.