焙烧过程晶粒生长的Monte Carlo模拟.pdf

第 17 卷第 6 期 中国有色金属学报 2007 年 6 月 Vol.17 No.6 The Chinese Journal of Nonferrous Metals Jun. 2007 文章编号：1004-0609(2007)06-0990-07 焙烧过程晶粒生长的Monte Carlo 模拟 王海东，张 海，李海亮，汤育才 ( 中南大学 资源加工与生物工程学院无机材料研究所，长沙 410083) 摘 要：基于 Monte Carlo(MC)方法，根据晶粒生长机理建立改进的转换概率模型，在不同焙烧温度、焙烧时间 和激活能条件下可实现晶粒生长过程结构演化的计算机模拟，对模拟和实验数据进行分析，结果表明：当晶粒生 长指数为 2.17 时，模拟与实验具有较好的一致性，从而得出焙烧过程晶粒的生长动力学模型；该模型能够较好地 解释焙烧过程晶粒的生长过程，对晶粒生长动力学研究等具有一定的指导意义。 关键词：晶粒生长；焙烧；Monte Carlo 模拟 中图分类号：TB 383 文献标识码：A Monte Carlo simulation of grain growth in calcination process WANG Hai-dong, ZHANG Hai, LI Hai-liang ，TANG Yu-cai (Institute of Inorganic Materials, School of Resources Processing and Bioengineering, Central South University, Changsha 410083, China) Abstract: A new Monte Carlo model was presented according to the grain growth theory. Using this model the computer simulation of microstructure evolution of grain growth was carried out under the condition of different calcinating temperatures, calcinating time and activation energies, and the dynamic model of grain growth in calcination process was obtained. The statistical analysis reveals that the simulated results are in good agreement with the experiment ones when the grain growth exponent is 2.17. It indicates that the grain growth in calcinations progress can be well explained using this model, so the model is valuable to the experiment about grain growth kinetics. Key words: grain growth; calcinations; Monte Carlo simulation 通常认为多晶材料的晶粒生长是由于系统能量降 明系统能量降低时晶粒生长必然发生，即只要符合热 低而引起表面扩散或晶界迁移的结果，但是由于在晶 力学条件，晶粒就可生长。但是实际晶粒生长的物理 粒生长过程中拓扑结构的复