物理学报2012，Vol.61Issue(14)：308-314,7.
纳米Cu颗粒等温晶化过程的分子动力学模拟研究
Molecular dynamics simulation of isothermal crystallization dynamics in Cu nanocluster
摘要
Abstract
We investigate the structural and dynamic properties of isothermal crystallization of Cu nanocluster which contains 500 Cu atoms （Cu_（500））,according to the embedded atom model,using molecular dynamics simulations.We calculate the Honeycutt-Anderson bondtype index,the inherent structure（IS） and the revisionary mean-square displacement of Cu nanocluster in crystallization process.All analyses suggest that the crystallization time of Cu_（500） is dependent on temperature.At high temperature,the crystallization time is well represented by a Gaussian distribution,which is not observed at low temperature.Cu_（500） displays multi-step crystallization at low temperature.On the other hand,we note that the influence of initial configuration on isothermal crystallization is significant.For the same thermodynamic state,especially at low temperature,the lower the IS of initial configuration,the longer the crystallization time is.关键词
分子动力学模拟/纳米Cu/等温晶化Key words
molecular dynamics simulation/Cu nanocluster/isothermal crystallization分类
数理科学引用本文复制引用
陈青,王淑英,孙民华..纳米Cu颗粒等温晶化过程的分子动力学模拟研究[J].物理学报,2012,61(14):308-314,7.基金项目
国家自然科学基金 （）
黑龙江省自然科学基金 （）
黑龙江省教育厅科研项目（批准号：11541087）资助的课题~~ （）
