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Title: Local electronic effects and irradiation resistance in high-entropy alloys

High-entropy alloys are multicomponent solid solutions in which various elements with different chemistries and sizes occupy the same crystallographic lattice sites. Thus, none of the atoms perfectly fit the lattice site, giving rise to considerable local lattice distortions and atomic-level stresses. These characteristics can be beneficial for performance under both radiation and in a high-temperature environment, making them attractive candidates as nuclear materials. We discuss electronic origin of the atomic-level stresses based upon first-principles calculations using a density functional theory approach.
Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [3]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Univ. of North Carolina, Asheville, NC (United States)
  3. Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
OSTI Identifier:
1222560
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Journal of The Minerals, Metals & Materials Society
Additional Journal Information:
Journal Volume: 67; Journal Issue: 10; Journal ID: ISSN 1047-4838
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE