摘要
采用反映原子多体相互作用的FS势模型 ,通过分子动力学方法研究了贵金属Au、Ag在温度 2 0 0 0～ 30 0K之间的冷却过程 ,考察其结构变化特点 ,给出了冷却过程微观结构转变的重要信息 .
Based on many body potential model,the crystallizing processes of Au and Ag are investigated by means of molecular dynamics simulation technique.The pairs analysis method is applied to compare the difference of the local symmetry of molecular cluster between both atoms.In the process of crystallization, the rebuild of the local cluster and the transformation of pairs is found to be from 1661、1441 to 1421、1422.The other important information given is about the microstructure of Au,Ag.
出处
《计算物理》
CSCD
北大核心
2001年第4期356-359,共4页
Chinese Journal of Computational Physics
