Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni–Fe alloys

Yuri Osetsky; Alexander V. Barashev; Yanwen Zhang

doi:10.1016/j.cossms.2021.100961

Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni–Fe alloys

Yuri Osetsky, Alexander V. Barashev, Yanwen Zhang

Microstructural Evolution Modeling

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Abstract

In this article, we report the results of extended atomistic modeling of intrinsic mobility of point defects and associated atomic transport in Ni–Fe model binary alloys. We consider the effects of composition and temperature and present evidence of the sluggish and chemically biased diffusion, and percolation effects occurring in atomic transport via the vacancy and interstitial migration mechanisms. The results are analyzed and discussed in the light of previous studies and some experimental observations. It is demonstrated that the sluggish diffusion, the chemically biased diffusion, and the percolation are interlinked phenomena that are defined by the chemical complexity of particular alloys. Methods for predicting these phenomena in multicomponent alloys are discussed. We report a fundamental understanding of sluggish diffusion, chemically-biased diffusion, as well as percolation phenomena, in Ni–Fe random alloys for vacancy and interstitial atom migration mechanisms.

Original language	English
Article number	100961
Journal	Current Opinion in Solid State and Materials Science
Volume	25
Issue number	6
DOIs	https://doi.org/10.1016/j.cossms.2021.100961
State	Published - Dec 2021

Bibliographical note

Publisher Copyright:
© 2021 Elsevier Ltd

Funding

This work was supported as part of the Energy Dissipation to Defect Evolution (EDDE), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under contract number DE-AC05-00OR22725. This manuscript has been co-authored by UT–Battelle, LLC under Contract No. DE–AC05–00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan.

Funders	Funder number
U.S. Department of Energy
Battelle	DE–AC05–00OR22725
Office of Science
Basic Energy Sciences	DE-AC05-00OR22725

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title = "Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni–Fe alloys",

abstract = "In this article, we report the results of extended atomistic modeling of intrinsic mobility of point defects and associated atomic transport in Ni–Fe model binary alloys. We consider the effects of composition and temperature and present evidence of the sluggish and chemically biased diffusion, and percolation effects occurring in atomic transport via the vacancy and interstitial migration mechanisms. The results are analyzed and discussed in the light of previous studies and some experimental observations. It is demonstrated that the sluggish diffusion, the chemically biased diffusion, and the percolation are interlinked phenomena that are defined by the chemical complexity of particular alloys. Methods for predicting these phenomena in multicomponent alloys are discussed. We report a fundamental understanding of sluggish diffusion, chemically-biased diffusion, as well as percolation phenomena, in Ni–Fe random alloys for vacancy and interstitial atom migration mechanisms.",

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AU - Osetsky, Yuri

AU - Barashev, Alexander V.

AU - Zhang, Yanwen

PY - 2021/12

Y1 - 2021/12

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AB - In this article, we report the results of extended atomistic modeling of intrinsic mobility of point defects and associated atomic transport in Ni–Fe model binary alloys. We consider the effects of composition and temperature and present evidence of the sluggish and chemically biased diffusion, and percolation effects occurring in atomic transport via the vacancy and interstitial migration mechanisms. The results are analyzed and discussed in the light of previous studies and some experimental observations. It is demonstrated that the sluggish diffusion, the chemically biased diffusion, and the percolation are interlinked phenomena that are defined by the chemical complexity of particular alloys. Methods for predicting these phenomena in multicomponent alloys are discussed. We report a fundamental understanding of sluggish diffusion, chemically-biased diffusion, as well as percolation phenomena, in Ni–Fe random alloys for vacancy and interstitial atom migration mechanisms.

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Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni–Fe alloys

Abstract

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