Mapping the magic numbers in binary Lennard-Jones clusters
材料科学
2007-05-23 v2 原子与分子团簇
摘要
Using a global optimization approach that directly searches for the composition of greatest stability, we have been able to find the particularly stable structures for binary Lennard-Jones clusters with up to 100 atoms for a range of Lennard-Jones parameters. In particular, we have shown that just having atoms of different size leads to a remarkable stabilization of polytetrahedral structures, including both polyicosahedral clusters and at larger sizes structures with disclination lines.
关键词
引用
@article{arxiv.cond-mat/0504726,
title = {Mapping the magic numbers in binary Lennard-Jones clusters},
author = {Jonathan P. K. Doye and Lars Meyer},
journal= {arXiv preprint arXiv:cond-mat/0504726},
year = {2007}
}
备注
5 pages, 5 figures