Monte Carlo模拟
(中南大学 粉末冶金国家重点实验室，长沙 410083)
摘 要: 在采用改进的Monte Carlo方法模拟正常晶粒的长大过程时，考虑到实际晶粒长大过程中物质状态跃迁需克服一定能垒，把跃迁能垒引入到状态跃迁概率计算中，使模拟过程所含物理意义更为明确。模拟结果表明：在各种模拟条件下得到的模拟晶粒长大指数为0.472~0.493，接近理论的晶粒长大指数(0.5)。改变模拟温度和能垒等模拟条件后，得到的晶粒形貌演变过程、晶界分布拓扑特征以及晶粒长大速率等模拟结果也均与晶粒长大动力学相关理论和实际晶粒长大规律相吻合。
关键字: Monte Carlo方法；晶粒长大模拟；晶粒长大指数；跃迁概率；物质跃迁能垒
（State Key laboratory of Powder Metallurgy, Central South University, Changsha 410083, China）
Abstract:Considering that an energy barrier should be conquered to realize the mass transition during the real grain growth process, the Monte Carlo method was modified by introducing the energy barrier for mass status transition into the evaluation of mass fransition probability to simulate the normal grain growth. The aim of modification was to improve the physical significance of simulation. The simulation results show that the simulated grain growth exponent is 0.472−0.493, which is close to the theoretical value of 0.5. With the variation of simulation temperature and energy barrier, the simulation results about the grain morphology development, the topological characteristic of grain boundary and the variation of grain growth rate are all in accordance with the theories and real rules of normal grain growth kinetics.
Key words: Monte Carlo method; simulation of grain growth; grain growth exponent; transition probability; energy barrier for mass transition
