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Experimental and theoretical study of tracer diffusion in a series of (CoCrFeMn)100−xNi alloys

Kottke, Josua and Utt, Daniel and Laurent-Brocq, Mathilde and Fareed, Adnan and Gaertner, Daniel and Perrière, Loïc and Rogal, Łukasz and Stukowski, Alexander and Albe, Karsten and Divinski, Sergiy V. and Wilde, Gerhard (2020):
Experimental and theoretical study of tracer diffusion in a series of (CoCrFeMn)100−xNi alloys.
In: Acta Materialia, 194, pp. 236-248. Elsevier, ISSN 13596454,
DOI: 10.1016/j.actamat.2020.05.037,
[Article]

Abstract

Tracer diffusion of all constituting elements is studied at various temperatures in a series of (CoCrFeMn)_100−x Ni_x alloys with compositions ranging from pure Ni to the equiatomic CoCrFeMnNi high-entropy alloy. At a given homologous temperature, the measured tracer diffusion coefficients change non-monotonically along the transition from pure Ni to the concentrated alloys and finally to the equiatomic CoCrFeMnNi alloy. This is explained by atomistic Monte-Carlo simulations based on a modified embedded-atom potentials, which reveal that local heterogeneities of the atomic configurations around a vacancy cause correlation effects and induce significant deviations from predictions of the random alloy model.

Item Type: Article
Erschienen: 2020
Creators: Kottke, Josua and Utt, Daniel and Laurent-Brocq, Mathilde and Fareed, Adnan and Gaertner, Daniel and Perrière, Loïc and Rogal, Łukasz and Stukowski, Alexander and Albe, Karsten and Divinski, Sergiy V. and Wilde, Gerhard
Title: Experimental and theoretical study of tracer diffusion in a series of (CoCrFeMn)100−xNi alloys
Language: English
Abstract:

Tracer diffusion of all constituting elements is studied at various temperatures in a series of (CoCrFeMn)_100−x Ni_x alloys with compositions ranging from pure Ni to the equiatomic CoCrFeMnNi high-entropy alloy. At a given homologous temperature, the measured tracer diffusion coefficients change non-monotonically along the transition from pure Ni to the concentrated alloys and finally to the equiatomic CoCrFeMnNi alloy. This is explained by atomistic Monte-Carlo simulations based on a modified embedded-atom potentials, which reveal that local heterogeneities of the atomic configurations around a vacancy cause correlation effects and induce significant deviations from predictions of the random alloy model.

Journal or Publication Title: Acta Materialia
Journal volume: 194
Publisher: Elsevier
Uncontrolled Keywords: High entropy alloy, Diffusion, Bulk diffusion, KMC: Random alloy model, Tracer diffusion measurement
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Zentrale Einrichtungen
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ)
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ) > Hochleistungsrechner
Date Deposited: 23 Jun 2020 05:41
DOI: 10.1016/j.actamat.2020.05.037
Official URL: https://doi.org/10.1016/j.actamat.2020.05.037
Projects: STU 611/2-1, SPP2006
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