Shell-resolved melting kinetics of an icosahedral cluster
首发时间:2007-10-15
Abstract:Molecular dynamics calculations of the fluctuation of bond vibration revealed the shell-resolved kinetics of surface melting of closed-shelled cluster containing 147atoms with Lennard-Jones type interaction. It is found that the surface melting is imitated by the migrating of the vertex atoms and the melting process can be divided into three major stages, i.e., vertex migrating, surface melting, and general melting. Although the melting process of the LJ147 cluster could be divided into discrete stages of shell-by-shell surface melting, in general, there is still a continuous process of melting from the surface to the core interior.
keywords: nanostructures liquid-solid phase transition molecular dynamics
点击查看论文中文信息
Shell-resolved melting kinetics of an icosahedral cluster
摘要:Molecular dynamics calculations of the fluctuation of bond vibration revealed the shell-resolved kinetics of surface melting of closed-shelled cluster containing 147atoms with Lennard-Jones type interaction. It is found that the surface melting is imitated by the migrating of the vertex atoms and the melting process can be divided into three major stages, i.e., vertex migrating, surface melting, and general melting. Although the melting process of the LJ147 cluster could be divided into discrete stages of shell-by-shell surface melting, in general, there is still a continuous process of melting from the surface to the core interior.
关键词: nanostructures; liquid-solid phase transition; molecular dynamics
基金:
论文图表:
引用
No.1566521376119243****
同行评议
勘误表
Shell-resolved melting kinetics of an icosahedral cluster
评论
全部评论0/1000