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

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http://hdl.handle.net/10138/334317

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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: University of Helsinki, Department of Physics
University of Helsinki, Helsinki Institute of Physics
University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
Date: 2021-08-15
Language: eng
Number of pages: 12
Belongs to series: Acta Materialia
ISSN: 1359-6454
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
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