Critically percolated states in high-entropy alloys with exact equi-atomicity

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Abstract

The formation of site-percolated states of exact equiatomic high-entropy alloys (HEAs) with body-centered-cubic (bcc) and face-centered-cubic (fcc) structures was investigated where their critical concentrations (p c site ) are given as 0.245 and 0.198, respectively, from conventional percolation theory. Molecular dynamics simulations were performed for WNbMoTa and WNbMoTaV HEAs with a bcc structure and AuCuNiPt and AuCuNiPdPt HEAs with an fcc structure. The simulation conditions included a generalized embedded atom method potential under NTp ensemble where the number of elements (N), absolute temperature (T), and pressure (p) were maintained constant. N-element alloys (N = 4 and 5) with a fraction of constituent elements (x = 1/N) were initially prepared in 10

Original languageEnglish
Pages (from-to)330-337
Number of pages8
JournalMaterials Transactions
Volume60
Issue number2
DOIs
Publication statusPublished - 2019 Jan 1

Keywords

  • Alloy design
  • High-entropy alloys
  • Phase stability
  • Prediction

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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