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Title: Effect of nickel on point defects diffusion in Fe – Ni alloys

Abstract

Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the effect of Ni content to radiation defects evolution is essential for developing predictive models of radiation. Recently an atomic-scale modelling study has revealed one particular mechanism of Ni effect related to the reduced mobility of clusters of interstitial atoms in Fe-Ni alloys. In this paper we present results of the microsecond-scale molecular dynamics study of point defects, i.e. vacancies and self-interstitial atoms, diffusion in Fe-Ni alloys. It is found that the addition of Ni atoms affects diffusion processes: diffusion of vacancies is enhanced in the presence of Ni, whereas diffusion of interstitials is reduced and these effects increase at high Ni concentration and low temperature. As a result, the role of Ni solutes in radiation damage evolution in Fe-Ni alloys is discussed.

Authors:
 [1];  [1];  [2]
  1. Univ. Politecnica de Catalunya. Barcelona-Tech, Barcelona (Spain)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1357978
Grant/Contract Number:
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 132; Journal Issue: C; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; diffusion; Fe-Ni alloy; radiation effects; molecular dynamics

Citation Formats

Anento, Napoleon, Serra, Anna, and Osetsky, Yury N. Effect of nickel on point defects diffusion in Fe – Ni alloys. United States: N. p., 2017. Web. doi:10.1016/j.actamat.2017.05.010.
Anento, Napoleon, Serra, Anna, & Osetsky, Yury N. Effect of nickel on point defects diffusion in Fe – Ni alloys. United States. doi:10.1016/j.actamat.2017.05.010.
Anento, Napoleon, Serra, Anna, and Osetsky, Yury N. Fri . "Effect of nickel on point defects diffusion in Fe – Ni alloys". United States. doi:10.1016/j.actamat.2017.05.010. https://www.osti.gov/servlets/purl/1357978.
@article{osti_1357978,
title = {Effect of nickel on point defects diffusion in Fe – Ni alloys},
author = {Anento, Napoleon and Serra, Anna and Osetsky, Yury N.},
abstractNote = {Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the effect of Ni content to radiation defects evolution is essential for developing predictive models of radiation. Recently an atomic-scale modelling study has revealed one particular mechanism of Ni effect related to the reduced mobility of clusters of interstitial atoms in Fe-Ni alloys. In this paper we present results of the microsecond-scale molecular dynamics study of point defects, i.e. vacancies and self-interstitial atoms, diffusion in Fe-Ni alloys. It is found that the addition of Ni atoms affects diffusion processes: diffusion of vacancies is enhanced in the presence of Ni, whereas diffusion of interstitials is reduced and these effects increase at high Ni concentration and low temperature. As a result, the role of Ni solutes in radiation damage evolution in Fe-Ni alloys is discussed.},
doi = {10.1016/j.actamat.2017.05.010},
journal = {Acta Materialia},
number = C,
volume = 132,
place = {United States},
year = {Fri May 05 00:00:00 EDT 2017},
month = {Fri May 05 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
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