简立方晶体(001)晶面生长的蒙特卡罗模拟  

Monte Carlo simulation of growth of the(001) face for a simple cubic crystal

作　　者：李明伟[1] 程旻[1] 付东[1] 李哲[1] 朱廷霞[1] 

机构地区：[1]重庆大学动力工程学院,重庆400030

出　　处：《功能材料》2008年第9期1584-1588,共5页Journal of Functional Materials

基　　金：国家自然科学基金资助项目(50676113);教育部新世纪优秀人才支持计划资助项目(NCET-05-0761)

摘　　要：通过对简立方晶体(001)晶面生长的蒙特卡罗模拟,获得了不同晶体表面热粗糙度,不同过饱和度,不同平均扩散距离以及不同表面尺寸下晶体生长速率;同时,应用合维数法,计算了表面分形维数;并对表面形貌及描述表面特性的相关参量作了分析。结果表明,法向生长模式和二维核生长模式,包括单核和多核生长模式,都可能出现,其主要取决于热粗糙度和过饱和度的大小。晶体生长速率与表面的微观特性紧密相关,如扭折、台阶、台面和吸附基元的百分比。The dimensionless growth rates on （001） face of simple cubic crystal are obtained by using the Monte Cado simulation under the conditions of different thermal roughness, different supersaturation, different mean diffuzion diztance and different surface size. Meanwhile, the fractal dimensions are computed by fractional boxcounting method. The analysis of the surface morphology and related parameters describing the surface features is performed. The results show that the crystal growth mainly operated by the mechanism of normal growth and two-dimension nucleation mode, including mononuclear and multi-nuclear mode, depending upon the thermal roughness and supersaturation. The growth rate is associated closely with the microscopic features of the growth surface, such as the fractions of kinds, steps, terraces and adatoms.

关 键 词：晶体生长 蒙特卡罗模拟 表面形貌 分形维数 

分 类 号：O361[理学—流体力学]