Molecular Dynamics Investigation of Differences in Melting Behaviors of Cu57 and Cu58 Clusters  

作　　者：Lin Zhang Hai-xia Sun 

机构地区：[1]Institute of Materials Physics and Chemistry, College of Science, Northeastern University, Shenyang 110004, China

出　　处：《Chinese Journal of Chemical Physics》2009年第1期69-74,共6页化学物理学报（英文）

摘　　要：Within the framework of the embedded-atom method, we performed molecular-dynamics calculations to investigate the structural transformation during melting of two copper clus- ters containing 57 and 58 atoms. The simulation results reveal how their different structural changes can strongly influence internal energy and radial distribution functions. The local structural patterns of different regions during the temperature increase, determined by atom density profiles, are identified for the melting of each cluster. The simulations show sensi- tivities of the structural changes for these two small size clusters with different structures.

关 键 词：Molecular dynamics CLUSTER SURFACE MELTING 

分 类 号：TG111.2[金属学及工艺—物理冶金]