原子与分子物理学报2016，Vol.33Issue(2)：263-267,5.DOI:103969/j.issn.1000-0364.2016.04.013
分子动力学模拟组分对Co1415-x Alx团簇结构特征的影响
Composition dependence of the structure characteristics in Co1415-x Alx clusters from molecular dynamics simulations
摘要
Abstract
In this paper, the influence of Co concentration on the frozen structure of the ( CoAl) 1415 cluster was studied by using molecular dynamics simulations with embedded atom method. This work gives the structural properties about radial distribution function, Honeycutt-Andersen ( HA) index and bond order parameter W6 . The results indicate that the frozen structures of the ( CoAl) 1415 clusters are strongly related to Co concentration. Hcp-Bcc-icosahedron structural transformation in the frozen ( CoAl) 1415 cluster can be induced by changing Co concentration.关键词
(CoAl)1415/镶嵌原子势/分子动力学/结构特征Key words
( CoAl) 1415/Embedded atom method/Molecular dynamics simulations/Structure characteristics分类
数理科学引用本文复制引用
龙林,夏继宏,程正富,肖绪洋..分子动力学模拟组分对Co1415-x Alx团簇结构特征的影响[J].原子与分子物理学报,2016,33(2):263-267,5.基金项目
重庆市博士后基金(Xm201410, Rc201447) （Xm201410, Rc201447）
重庆市教委自然科学基金(KJ121218) （KJ121218）
