Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals: Cu-ag and cu-ni

  • Yue Qi
  • , Tahir Çağın
  • , Yoshitaka Kimura
  • , William A. Goddard

Research output: Contribution to journalArticlepeer-review

Abstract

We used molecular dynamics (MD) to obtain an atomistic description of the melting, glass formation, and crystallization processes in metal alloys. These studies use the quantum Sutton-Chen many-body potentials for Cu, Ni, and Ag to examine the (Formula presented) and CuNi alloys. Using cooling rates in the range of (Formula presented) to (Formula presented) we find that CuNi and pure Cu always form a face-centered-cubic (fcc) crystal while (Formula presented) always forms a glass (with (Formula presented) decreasing as the quench rate increases). The crystal formers have radius ratios of 1.025 (CuNi) and 1.00 (Cu) while the glass former (CuAg) has a ratio of 1.13, confirming the role of size mismatch in biasing toward glass formation.

Original languageEnglish
Pages (from-to)3527-3533
Number of pages7
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume59
Issue number5
DOIs
Publication statusPublished - 1 Jan 1999
Externally publishedYes

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