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• W1992955402 abstract "Extensive theoretical and experimental studies of vacancies and interstitials in f.c.c. metals have been carried out at the University of Illinois since 1950. In the present work, the studies of molecular dynamics are carried out by computer simulation in order to explore the detailed atomistic process of dynamical movement of point defects of vacancies and interstitials, and their clustering in f.c.c. metals. An isotropic EAM potential due to Daw and Baskes ([itPhys. Rev. B, 29 (1984) 6443) was utilized to calculate the force which acts on atoms in a crystal. Calculations were carried out for Cu, Ag, Au, Ni and Al. The first part of the results of this paper describes the vacancies and their clusters. The importance of the migration of small vacancy clusters is emphasized. The atomistic growth step of vacancy clusters is also described. In the second part, the results of interstitials and their clusters are summarized. The small interstitial clusters relax to a bundle of parallel 〈110〉 crowdions which moves with the very small migration energy of 0.001 eV. The simulation of the movement of interstitials in Au at very low temperature was carried out. The movement of interstitial clusters is sensitively responsive on the strain field." @default.
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• W1992955402 date "1997-09-01" @default.
• W1992955402 modified "2023-09-23" @default.
• W1992955402 title "Point defects and their clusters in f.c.c. metals studied by computer simulations" @default.
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• W1992955402 doi "https://doi.org/10.1016/s0254-0584(97)80251-9" @default.
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