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 language | English |
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Pages (from-to) | 330-337 |
Number of pages | 8 |
Journal | Materials Transactions |
Volume | 60 |
Issue number | 2 |
DOIs | |
Publication status | Published - 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