Mapping the magic numbers in binary Lennard-Jones clusters

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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.
5 pages, 5 figures

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Materials Science, Atomic and Molecular Clusters

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http://salesiana.dossiersoluciones.com/handle/123456789/26283

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0504726
 http://arxiv.org/abs/cond-mat/0504726
 Phys. Rev. Lett. 95, 063401 (2005)
 doi:10.1103/PhysRevLett.95.063401

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