Appearance of metastable B2 phase during solidification of Ni50Zr50 alloy: Electrostatic levitation and molecular dynamics simulation studies

D. G. Quirinale, G. E. Rustan, S. R. Wilson, M. J. Kramer, A. I. Goldman, M. I. Mendelev

Research output: Contribution to journalArticlepeer-review

21 Scopus citations

Abstract

High-energy x-ray diffraction measurements of undercooled, electrostatically levitated Ni50Zr50 liquid droplets were performed. The observed solidification pathway proceeded through the nucleation and growth of the metastable B2 phase, which persisted for several seconds before the rapid appearance of the stable B33 phase. This sequence is shown to be consistent with predictions from classical nucleation theory using data obtained from molecular dynamics (MD) simulations. A plausible mechanism for the B2-B33 transformation is proposed and investigated through further MD simulations.

Original languageEnglish
Article number085004
JournalJournal of Physics Condensed Matter
Volume27
Issue number8
DOIs
StatePublished - Mar 4 2015
Externally publishedYes

Keywords

  • molecular dynamics simulation
  • solidification
  • x-ray diffraction

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