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

被引：8
|
作者：
Zhang, Lin [1 ]
Sun, Hai-xia [1 ]
机构：
[1] Northeastern Univ, Coll Sci, Inst Mat Phys & Chem, Shenyang 110004, Peoples R China
来源：
CHINESE JOURNAL OF CHEMICAL PHYSICS | 2009年 / 22卷 / 01期
关键词：
Molecular dynamics; Cluster; Surface; Melting; LOCAL-STRUCTURE CHANGES; CU; DIFFUSION;
D O I：
10.1088/1674-0068/22/01/69-74
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
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 clusters 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 sensitivities of the structural changes for these two small size clusters with different structures.
引用
收藏
页码：69 / 74
页数：6
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