Affiliation:
1. Kyoto University, Department of Materials Science and Engineering , Kyoto , Japan
Abstract
Abstract
The formation volume of an atomic vacancy has been calculated by molecular statics simulation by the method originally proposed by Johnson and Brown (1962) for some transition metals of the body-centred cubic structure using several interatomic potentials. The values obtained are in satisfactory agreement with the analytic approximations proposed by Maysenhölder (1986). The formation volume is found to be correlated with Poisson’s ratio of the host crystal.
Subject
Materials Chemistry,Metals and Alloys,Physical and Theoretical Chemistry,Condensed Matter Physics
Cited by
1 articles.
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