TY - JOUR
T1 - Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni–Fe alloys
AU - Osetsky, Yuri
AU - Barashev, Alexander V.
AU - Zhang, Yanwen
N1 - Funding Information:
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.
Funding Information:
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.
Publisher Copyright:
© 2021 Elsevier Ltd
PY - 2021/12
Y1 - 2021/12
N2 - 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.
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.
UR - https://www.scopus.com/pages/publications/85116037956
UR - https://www.mendeley.com/catalogue/1f244c32-e508-351a-b88a-cd7b06c9f382/
U2 - 10.1016/j.cossms.2021.100961
DO - 10.1016/j.cossms.2021.100961
M3 - Article
AN - SCOPUS:85116037956
SN - 1359-0286
VL - 25
JO - Current Opinion in Solid State and Materials Science
JF - Current Opinion in Solid State and Materials Science
IS - 6
M1 - 100961
ER -