Energetics and self-diffusion behavior o
Energetics and self-diffusion behavior of Zr atomic clusters on a Zr(0 0 0 1) surface
โ
Fusheng Liu; Wangyu Hu; Huiqiu Deng; Wenhua Luo; Shifang Xiao; Jianyu Yang
๐
Article
๐
2009
๐
Elsevier Science
๐
English
โ 272 KB
Using a molecular dynamics method and a modified analytic embedded atom potential, the energetic and the self-diffusion dynamics of Zr atomic clusters up to eight atoms on a-Zr(0 0 0 1) surface have been studied. The simulation temperature ranges from 300 to 1100 K and the simulation time varies fro