Monte Carlo模擬
(中南大學(xué) 粉末冶金國家重點(diǎn)實(shí)驗(yàn)室，長沙 410083)
摘 要: 在采用改進(jìn)的Monte Carlo方法模擬正常晶粒的長大過程時(shí)，考慮到實(shí)際晶粒長大過程中物質(zhì)狀態(tài)躍遷需克服一定能壘，把躍遷能壘引入到狀態(tài)躍遷概率計(jì)算中，使模擬過程所含物理意義更為明確。模擬結(jié)果表明：在各種模擬條件下得到的模擬晶粒長大指數(shù)為0.472~0.493，接近理論的晶粒長大指數(shù)(0.5)。改變模擬溫度和能壘等模擬條件后，得到的晶粒形貌演變過程、晶界分布拓?fù)涮卣饕约熬ЯｉL大速率等模擬結(jié)果也均與晶粒長大動(dòng)力學(xué)相關(guān)理論和實(shí)際晶粒長大規(guī)律相吻合。
關(guān)鍵字: Monte Carlo方法；晶粒長大模擬；晶粒長大指數(shù)；躍遷概率；物質(zhì)躍遷能壘
（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
