Fe-Cu-Ni many-body potential consistent with thermodynamics

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Abstract

The Fe-Cu-Ni ternary alloy is of interest for nuclear applications because Cu and Ni are considered to have major effects on the embrittlement under irradiation of reactor pressure vessel steels. In this work a ternary Fe-Cu-Ni many-body potential consistent with thermodynamics is developed for the first time. Thermal ageing of an Fe-Cu-Ni alloy is simulated using atomistic kinetic Monte Carlo as a validation of the potential.

Details

Original languageEnglish
Title of host publicationTackling Materials Complexities via Computational Science
Place of PublicationTallahassee, FL, United States
Pages619-622
Publication statusPublished - 27 Oct 2008
EventFourth International Conference on Multiscale Materials Modeling - The Department of Scientific Computing, Florida State University, Tallahassee, Florida, United States
Duration: 27 Oct 200831 Oct 2008

Conference

ConferenceFourth International Conference on Multiscale Materials Modeling
CountryUnited States
CityTallahassee, Florida
Period2008-10-272008-10-31

Keywords

  • Interatomic potential, RPV steels, kinetic Monte Carlo

ID: 373481