【摘要】 分别采用Stillinger Weber(S-W)势和Tersoff势来描述硅锗原子间相互作用,运用分子动力学方法对比模拟研究了硅锗合金熔体的快速凝固过程.通过对径向分布函数、静态结构因子、键角分布函数、配位数、Voronoi多面体以及宏观密度的研究,综合对比发现,Tersoff势和S-W势相比更适合描述硅锗合金的快速凝固过程.更多还原

【Abstract】 Molecular dynamic simulations of rapid solidification process of SiGe alloy melt are carried out.The atomic interactions in SiGe alloy are calculated by using Stillinger-Weber(S-W) potential and Tersoff potential respectively.According to the investigations of structural characterization methods with the Genernal rules of density and volume changes during the solidification of SiGe alloy.It is found that Tersoff potential is more appropriate to describe the rapid quenching process of SiGe alloy melt compared with S-W potential.更多还原