一种晶体表面水平纳米线生长机理的蒙特卡罗模拟研究

A Monte Carlo simulation study on growth mechanism of horizontal nanowires on crystal surface

采用动力学蒙特卡罗方法模拟,发现在较低过饱和度流体中对称性破缺的简单立方晶体光滑(001)表面上基于晶核的水平纳米线的生长机理.在此基础上,进一步研究了各向异性的表面上经向和纬向热粗糙度对纳米线形貌的影响,分析了纳米线的生长随时间的变化,并系统讨论了纳米线生长速率与表面经向和纬向热粗糙度、过饱和度、晶面尺寸以及表面扩散作用的依赖关系.

With the kinetic Monte Carlo simulation of smooth （001） surface of symmetry-broken simple cubic crystal in fluid with low supersatuaration rate, the mechanism of nanowire growth based on crystal nuclei on the surface is discovered and the morphology of nanowire is obtained. The dependences of nanowire morphology on thermal roughness in the longitudinal and latitudinal direction and growth time on the anisotropic surface of the crystal are further discussed. The relations of nanowire growth rate with thermal roughness, supersaturation rate, surface size and diffusion rate on the surface are then systematically studied.