Effects of atomic size difference and heat of mixing parameters on the local structure of a model metallic glass system

Y. S. Yun, H. S. Nam, P. R. Cha, W. T. Kim, D. H. Kim

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Atomic size differences between constituting elements and the heat of mixing are key factors in designing a metallic glass system. In this study, the effects of atomic size differences and the heat of mixing on the glass-forming ability and the local structure of metallic glasses were studied via molecular dynamic simulations of an ideal system known as the Lennard-Jones embedded-atom method model. The atomic size difference and the heat of mixing of the system were varied by means of the Lennard-Jones parameters. The glass transition behavior was characterized based on the chemical short-range order and by a Voronoi analysis. Our simulations lead to optimized windows of atomic size differences and heat of mixing parameters for metallic glass-forming of the model system. Both a greater negative heat of mixing and a larger atomic size difference are necessary for the enhancement of the glass-forming ability.

Original languageEnglish
Pages (from-to)105-111
Number of pages7
JournalMetals and Materials International
Issue number1
Publication statusPublished - 2014 Jan 1


All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Mechanics of Materials
  • Metals and Alloys
  • Materials Chemistry

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