晶体生长机制和生长动力学的蒙特卡罗模拟研究  

Monte Carlo Simulation Study on Crystal Growth Mechanism and Kinetics

作　　者：朱阁[1] 卢贵武[2] 李英峰[1] 蓝建慧[1] 张军[1] 郑庆彬[1] 黄乔松[1] 孙洵[3] 夏海瑞[4] 

机构地区：[1]中国石油大学物理科学与技术学院,东营257061 [2]中国石油大学数理系,北京102249 [3]山东大学晶体材料国家重点实验室,济南250100 [4]山东大学物理与微电子学院,济南250100

出　　处：《人工晶体学报》2006年第1期24-31,共8页Journal of Synthetic Crystals

基　　金：国家自然科学基金(No.10274043);山东省自然科学基金(No.Y2003A01)

摘　　要：采用动力学蒙特卡罗方法,对在完整光滑界面上低过饱和度溶液中的晶体生长机制和动态过程进行计算机模拟,得到了晶体生长速率与溶液过饱和度之间的关系以及晶体生长的表面形态。对以二维成核为主要生长机制的动力学生长规律进行分析,发现了二维成核生长的生长死区以及单核生长转变为多核生长时的过饱和度临界值,讨论了热粗糙度、表面扩散、台阶平均高度以及表面尺寸对晶体平均生长速率的影响。An improved kinetic Monte Carlo method was adopted to simulate the dynamic process of crystal growth on the perfect and smooth surface in order to penetrate the microcosmic growth process of crystal, especially the crystal growth mechanism in the low supersaturated solution. As a result, the relationship between the crystal growth rate and the supersaturation of the solution was given, as well as the surface morphology of crystal growth. The kinetic law of crystal growth was analyzed, which indicated the two-dimensional nucleation being the main growth mechanism. The growth dead zone of twodimensional nucleation growth and a critical point transforming the mononuelear growth into a multiple nucleation growth were discovered. Thermal roughness, surface diffusion, average height of the steps and the impact of the surface size on the average growth rate of the crystal are also discussed in this paper.

关 键 词：蒙特卡罗模拟 生长机制 晶体表面形态 晶体生长动力学 

分 类 号：O361[理学—流体力学]