Mapping the magic numbers in binary Lennard-Jones 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.

5 pages, 5 figures

References in corpus (5)

• Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
• Polytetrahedral Clusters
• Composition-induced structural transitions in mixed rare-gas clusters
• Global Optimization and the Energy Landscapes of Dzugutov Clusters
• Taming the rugged landscape: production, reordering, and stabilization of selected cluster inherent structures in the X_(13-n)Y_n system

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