原子与分子物理学报2011，Vol.28Issue(2)：251-257,7.DOI:10.3969/j.issn.1000-0364.2011.02.011
支撑Co团簇熔化行为的分子动力学模拟
Molecular dynamics simulation of melting behaviours of supported cobalt cluster
摘要
Abstract
The molecular dynamics simulation combined with the simulated annealing method are used to study the melting behaviors of free cobalt clusters and two kinds of supported cobalt clusters with cluster size ranging from 400 to 20000 atoms. Gupta potential is used for the cobalt - cobalt interactions in Co clusters. Influences on the melting properties are discussed with two kinds of supported potentials:the Lennard-Jones potential and the Morse potential. Our results reveal that with the same number of cobalt atoms and the same cobalt-substrate interation stength, the melting points and pre-melting intervals of the two kinds of supported Co clusters are all in reasonable agreement with each other. With increasing the depth of supported potential, the melting points increase for the supported cluster. Similar to the case of free clusters, the linear relation between the melting point and the inverse of cluster's size cube root is also found for the two kinds of supported clusters.关键词
Co团簇/分子动力学/衬底势/熔化Key words
cobalt clusters/ molecular dynamics/ supported potential/ melting分类
数理科学引用本文复制引用
冯艳,段海明..支撑Co团簇熔化行为的分子动力学模拟[J].原子与分子物理学报,2011,28(2):251-257,7.基金项目
国家自然科学基金(10864005) （10864005）
教育部留学回国人员科研启动基金资助项目 （）
