引用本文:
【打印本页】   【HTML】   【下载PDF全文】   View/Add Comment  【EndNote】   【RefMan】   【BibTex】
←前一篇|后一篇→ 过刊浏览    高级检索
本文已被:浏览 1845次   下载 1435 本文二维码信息
码上扫一扫!
分享到: 微信 更多
Molecular Dynamics Investigation of Differences in Melting Behaviors of Cu57 and Cu58 Clusters
Lin Zhang *,Hai-xia Sun
Author NameAffiliationE-mail
Lin Zhang * Institute of Materials Physics and Chemistry, College of Science, Northeastern University, Shenyang 110004, China zhanglin@imp.neu.edu.cn 
Hai-xia Sun Institute of Materials Physics and Chemistry, College of Science, Northeastern University, Shenyang 110004, China  
Abstract:
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 di?erent structures.
Key words:  Molecular dynamics, Cluster, Surface, Melting
FundProject:
Molecular Dynamics Investigation of Differences in Melting Behaviors of Cu57 and Cu58 Clusters
张林 *,孙海霞
摘要:
应用基于嵌入原子方法的分子动力学计算研究了Cu57和Cu58团簇在升温过程中变为熔体的结构演化过程.两个团簇在熔化时表现出不同的结构变化行为,进而影响到它们能量变化的差异.在升温时,团簇不同区域的原子局域结构变化由原子密度分布函数确定.模拟表明,即使对于这两个仅相差一个原子的小尺寸团簇,结构变化也敏感于团簇的尺寸.
关键词:  分子动力学,团簇,表面,熔化
DOI:10.1088/1674-0068/22/01/69-74
分类号: