Lower energy icosahedral atomic clusters with incomplete core

被引:17
作者
Barron, C
Gomez, S
Romero, D
机构
[1] Univ Nacl Autonoma Mexico, IIMAS, MEXICO CITY 01000, DF, MEXICO
[2] Univ Nacl Autonoma Mexico, IIMAS, CUERNAVACA 62330, MORELOS, MEXICO
关键词
atomic cluster; icosahedral structures; Lennard-Jones potential; global optimization;
D O I
10.1016/S0893-9659(97)00078-5
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
We propose structures for clusters of 69, 78, 88, 98, 107, 113, and 115 atoms that, although icosahedral in character, do not follow the so-called magic numbers sequence. More important, these structures yield lower Lennard-Jones potential energy than the minimum reported in the literature. Our findings arose by linking a very simple heuristic with a local search algorithm.
引用
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页码:25 / 28
页数:4
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