First-principles calculation of lattice distortions in four single phase high entropy alloys with experimental validation
Abstract
Exceptional properties of high entropy alloys (HEAs) are attributed to the disordered random solid solution of multiple alloying elements. Despite numerous studies, the fundamental understanding at the electronic and atomic levels is still missing. We report a comparative study of four fcc HEAs of NiFeCoCr and NiFeCoCrX (X = Mn, Cu, or Pd) based on ab initio calculations using large supercells with 500 atoms in equal composition. After fully...
Paper Details
Title
First-principles calculation of lattice distortions in four single phase high entropy alloys with experimental validation
Published Date
Nov 1, 2021
Journal
Volume
209
Pages
110071 - 110071
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