摘要
本文采用Johoson的四参数势和固定体积的假定,应用分子动力学方法对零温下α铁的两种晶界弛豫结构进行了模拟。计算结果表明,整个结构图形在平行晶界面的两个方向仍然显示出周期性,在垂直晶界面的方向仍然显示出镜面对称分布。本文计算结果与vitek的静力学方法的结果相当一致。
Molecular dynamics simulations on the 0°K relaxed structures of ∑= 5 (310) and ∑ = 9 (114) grain boundaries in a iron were carried out by using Johnson's four-parameter potential and constant volume assumption.The results showed that the atomic distribution in two directions parallel to the grain boundary kept periodic and that in the direction perpendicular to the grain boundary was still mirror-symmetrical. The results agreed with those from Vitek''s molecular statics method.
出处
《力学学报》
EI
CSCD
北大核心
1989年第4期505-508,共4页
Chinese Journal of Theoretical and Applied Mechanics
基金
中国科学院重大科研项目
