原子与分子物理学报2016，Vol.33Issue(5)：807-812,6.DOI:10.3969/j.issn.1000-0364.2016.10.009
Morse团簇Mn（n=2-100）基态结构特性的模拟淬火算法研究
Study of the ground-state structural properties of Morse clusters Mn (n=2-100) by the simulated quenching algorithm
摘要
Abstract
The ground-state geometries and energies of the Morse clusters Mn(n=2-100)are systematically studied by the micro-canonic molecular dynamics simulated quenching method based on the Morse-type two-body inter-atomic potential. The calculated results reproduce precisely all the lowest energies of the Mn ( n=2-80)clusters listed in the Cambridge Cluster Database, suggesting the efficiency of the micro-canonic molecu-lar dynamics simulated quenching method in searching the ground-state geometries of clusters. Through analy-zing the average binding energies, the second- and first-order energy differences, the average nearest-neigh-bor distances and the average coordination numbers, the magic-number sequences of Mn(n=2-100)clusters are obtained as n=13 , 19 , 23 , 26 , 39 , 46 , 55 and 71. As compared with the influence of the average coordi-nation number on the stabilities of the ground-state geometries, the influence of the average nearest-neighbor distance can be neglected.关键词
团簇/Morse势/基态/能量Key words
Cluster/Morse potential/Ground-state/Energy分类
数理科学引用本文复制引用
方萌,伊力亚尔·海米提,段海明..Morse团簇Mn（n=2-100）基态结构特性的模拟淬火算法研究[J].原子与分子物理学报,2016,33(5):807-812,6.基金项目
国家自然科学基金(10864005,11164029) （10864005,11164029）
新疆维吾尔自治区自然科学基金(2011211A008) （2011211A008）
