Enhancement of vacancy diffusion by C and N interstitials in the equiatomic FeMnNiCoCr high entropy alloy

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Lu , E , Zhao , J , Makkonen , I , Mizohata , K , Li , Z , Hua , M , Djurabekova , F & Tuomisto , F 2021 , ' Enhancement of vacancy diffusion by C and N interstitials in the equiatomic FeMnNiCoCr high entropy alloy ' , Acta Materialia , vol. 215 , 117093 . https://doi.org/10.1016/j.actamat.2021.117093

Title: Enhancement of vacancy diffusion by C and N interstitials in the equiatomic FeMnNiCoCr high entropy alloy
Author: Lu, Eryang; Zhao, Junlei; Makkonen, Ilja; Mizohata, Kenichiro; Li, Zhiming; Hua, Mengyuan; Djurabekova, Flyura; Tuomisto, Filip
Contributor organization: Department of Physics
Helsinki Institute of Physics
Date: 2021-08-15
Language: eng
Number of pages: 12
Belongs to series: Acta Materialia
ISSN: 1359-6454
DOI: https://doi.org/10.1016/j.actamat.2021.117093
URI: http://hdl.handle.net/10138/334317
Abstract: We present evidence of homogenization of atomic diffusion properties caused by C and N interstitials in an equiatomic single-phase high entropy alloy (FeMnNiCoCr). This phenomenon is manifested by an unexpected interstitial-induced reduction and narrowing of the directly experimentally determined migration barrier distribution of mono-vacancy defects introduced by particle irradiation. Our observation by positron annihilation spectroscopy is explained by state-of-the-art theoretical calculations that predict preferential localization of C/N interstitials in regions rich in Mn and Cr, leading to a narrowing and reduction of the mono-vacancy size distribution in the random alloy. This phenomenon is likely to have a significant impact on the mechanical behavior under irradiation, as the local variations in elemental motion have a profound effect on the solute strengthening in high entropy alloys. (C) 2021 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc.
Subject: Density functional theory calculations
FORMATION ENTHALPY
High entropy alloys
INITIO MOLECULAR-DYNAMICS
IRRADIATION
Interstitials
POSITRON-ANNIHILATION
Positron annihilation
RADIATION-DAMAGE
SEMICONDUCTORS
SLUGGISH DIFFUSION
STRENGTH
TOTAL-ENERGY CALCULATIONS
TRACER DIFFUSION
Vacancy
114 Physical sciences
Peer reviewed: Yes
Rights: cc_by
Usage restriction: openAccess
Self-archived version: publishedVersion


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