Sublattice formation in CoCrFeNi high-entropy alloy

E. A. Meshkov, I. I. Novoselov, A. V. Shapeev, A. V. Yanilkin

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

In this work, we investigated short-range ordering in the equiatomic CoCrFeNi high-entropy alloy by means of a machine-learning interatomic potential. The potential was represented as a low-rank tensor. The tensor coefficients were determined in order to reproduce the results of DFT calculations. This potential was used in an on-lattice Metropolis Monte-Carlo algorithm. We established, for the first time, that iron and chromium atoms form sublattices at the temperatures below 600°C and 1230°C, respectively.

Original languageEnglish
Article number106542
JournalIntermetallics
Volume112
DOIs
Publication statusPublished - Sep 2019

Keywords

  • Ab-initio calculations
  • High-entropy alloys
  • Monte carlo simulation
  • Multiscale
  • Order/disorder transformation

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