Defect energetics for diffusion in CrMnFeCoNi high-entropy alloy from first-principles calculations
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DOI: 10.1016/j.commatsci.2019.109163
Abstract: Abstract We investigated the bulk properties and formation, in addition to the migration energies of vacancies in CrMnFeCoNi using first-principles calculations based on the special quasi-random structure (SQS) approach. The ferromagnetic state of this material… read more here.
Keywords: principles calculations; defect energetics; first principles; energy ... See more keywords