Effective Atomic Displacements in Fe-9at.%Cr Alloy

Abstract:

A computer simulation of atomic displacement cascades in Fe-9at.%Cr binary alloy has been performed by molecular dynamics method for temperature of 300 K and cascade energies from 100 eV to 20 keV. The average number of Frenkel pairs produced in cascade has been calculated. The data on point defect clusterization have been obtained. Obtained evaluations of effective fraction of surviving defects are well approximated by the sum of power and linear functions of cascade energy. Increased chromium fraction in the self-interstitial (SIA) configurations has been observed and has been explained by combination of two factors: positive binding energy of Cr atom with SIAs and mobility of SIA configuration. The diffusion coefficient of single SIA configuration in the matrix of pure bcc Fe has been evaluated for the temperature range of 300 – 1000 K. We have prepared 100 group neutron cross-sections of effective displacement generation in Fe-9at.%Cr binary alloy. It has been shown that effective dpa generation rate can be 2-3 times lower than corresponding rates of conventional dpa generation rate.

• Periodical: Defect and Diffusion Forum (Volume 375)
• Pages: 139-149
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.375.139
• Online since: May 2017
• Authors: Viacheslav Svetukhin, Mikhail Tikhonchev*
• Keywords: Atomic Displacement Cascade, Diffusion, Effective Atomic Displacements, Fe-Cr Alloy, Frenkel Pair, Molecular Dynamics, Neutron Cross-Sections, Self-Interstitial Configuration, Vacancy

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