skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1357978
Alternate Identifier(s):
OSTI ID: 1550536
Grant/Contract Number:  
AC05-00OR22725; 661913
Resource Type:
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. https://doi.org/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. https://doi.org/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. https://doi.org/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 = {2017},
month = {5}
}

Journal Article:

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Aspects of microstructure evolution under cascade damage conditions
journal, November 1997


Void swelling and defect cluster formation in reactor-irradiated copper
journal, December 1989


Multiscale modelling of defect kinetics in irradiated iron
journal, December 2004

  • Fu, Chu-Chun; Torre, Jacques Dalla; Willaime, François
  • Nature Materials, Vol. 4, Issue 1
  • DOI: 10.1038/nmat1286

Stability and mobility of defect clusters and dislocation loops in metals
journal, January 2000


On the structure and mobility of point defect clusters in alpha-zirconium: a comparison for two interatomic potential models
journal, March 2011

  • de Diego, N.; Serra, A.; Bacon, D. J.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 19, Issue 3
  • DOI: 10.1088/0965-0393/19/3/035003

Vacancy interaction with glissile interstitial clusters in bcc metals
journal, December 2001


Interactions between vacancy and glissile interstitial clusters in iron and copper
journal, January 2004

  • Puigvi, M. A.; Osetsky, Yu. N.; Serra, A.
  • Materials Science and Engineering: A, Vol. 365, Issue 1-2
  • DOI: 10.1016/j.msea.2003.09.013

On the interaction between a vacancy and self-interstitial atom clusters in metals
journal, August 2007


Interaction of a single interstitial atom with small clusters of self interstitials in α-Fe
journal, January 2008


One-dimensional atomic transport by clusters of self-interstitial atoms in iron and copper
journal, January 2003


Atomistic study of multimechanism diffusion by self-interstitial defects in α-Fe
journal, January 2010

  • Anento, N.; Serra, A.; Osetsky, Yu N.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 2
  • DOI: 10.1088/0965-0393/18/2/025008

Dimensionality of interstitial cluster motion in bcc-Fe
journal, March 2007


Effects of impurities on one-dimensional migration of interstitial clusters in iron under electron irradiation
journal, March 2008


Obstacles for one-dimensional migration of interstitial clusters in iron
journal, June 2009


Radiation-induced precipitation in a ferritic model alloy: An experimental and theoretical study
journal, September 2013


Atom probe tomography characterizations of high nickel, low copper surveillance RPV welds irradiated to high fluences
journal, June 2013


Effect of Copper and Nickel on the Neutron Irradiation Damage in Iron Alloys
journal, January 1994


Transmission electron microscopy study on neutron irradiated pure iron and RPV model alloys
journal, April 2010


The role of nickel in radiation damage of ferritic alloys
journal, February 2015


Fully dynamic computer simulation of self-interstitial diffusion in tungsten
journal, January 1977


Fe–Ni many-body potential for metallurgical applications
journal, January 2009

  • Bonny, G.; Pasianot, R. C.; Malerba, L.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 2
  • DOI: 10.1088/0965-0393/17/2/025010

Ab initio calculations of vacancy interactions with solute atoms in bcc Fe
journal, January 2005

  • Vincent, E.; Becquart, C. S.; Domain, C.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 228, Issue 1-4
  • DOI: 10.1016/j.nimb.2004.10.035

Development of new interatomic potentials appropriate for crystalline and liquid iron
journal, December 2003


Exact ab initio transport coefficients in bcc Fe X ( X = Cr , Cu , Mn , Ni , P , Si ) dilute alloys
journal, September 2014


Interstitial migration in irradiated iron and iron-based dilute alloys. II. Interstitial migration and solute transport in FeNi, FeMn and FeCu dilute alloys
journal, November 1990


Post-irradiation annealing of Ni–Mn–Si-enriched clusters in a neutron-irradiated RPV steel weld using Atom Probe Tomography
journal, April 2015


Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model
journal, February 2017

  • Chiapetto, M.; Messina, L.; Becquart, C. S.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 393
  • DOI: 10.1016/j.nimb.2016.09.025

    Works referencing / citing this record:

    Vacancy and interstitial atom evolution with the separation of the nanoscale phase in Fe–Cr alloys: phase-field simulations
    journal, January 2020

    • Yan, Zhengwei; Shi, Shujing; Li, Yongsheng
    • Physical Chemistry Chemical Physics, Vol. 22, Issue 6
    • DOI: 10.1039/c9cp06247e