Lowest-energy structures of 13-atom binary clusters: Do icosahedral clusters exist in binary liquid alloys?

Details Lowest-energy structures of 13-atom binary clusters: Do icosahedral clusters exist in binary liquid alloys? Lowest-energy structures of 13-atom binary clusters: Do icosahedral clusters exist in binary liquid alloys?

2007-05-31

arxiv.org/abs/0705.4555v1

Physics

Condensed Matter

Materials Science

10 pages, 3 figure (conference paper of LAM12) to be published in J. Non-Crystalline Solids

Scientific paper

10.1016/j.jnoncrysol.2007.05.134

Although the existence of 13-atom icosahedral clusters in one-component close-packed undercooled liquids was predicted more than half a century ago by Frank, the existence of such icosahedral clusters is less clear in liquid alloys. We study the lowest-energy structures of 13-atom AxB13-x Lennard-Jones binary clusters using the modified space-fixed genetic algorithm and the artificial Lennard-Jones potential designed by Kob and Andersen. Curiously, the lowest-energy structures are non-icosahedral for almost all compositions. The role played by the icosahedral cluster in a binary glass is questionable.

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