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

M. Iwamatsu, S. K. Lai

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)3698-3703
Number of pages6
JournalJournal of Non-Crystalline Solids
Volume353
Issue number32-40
DOIs
StatePublished - 15 Oct 2007

Keywords

  • Amorphous metals
  • Glass formation
  • Liquid alloys and liquid metals
  • metallic glasses
  • Modeling and simulation
  • Short-range order
  • Structure

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