Mapping the magic numbers in binary Lennard-Jones clusters
Materials Science
2007-05-23 v2 Atomic and Molecular Clusters
Abstract
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.
Keywords
Cite
@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}
}
Comments
5 pages, 5 figures