Determination of the vacancy migration energy in FCC metals with allowance for the relaxation of the nearest atoms

被引：6
作者：
Iskakov B.M. [1 ]
Baigisova K.B. [1 ]
Bondarenko G.G. [2 ]
机构：
[1] Kazakh State Technical University, Almaty
[2] National Research University Higher School of Economics, Moscow
来源：
Russ. Metall. (Metally) | / 5卷 / 400-406期
关键词：
FCC metals - Modified embedded atom methods - Sublimation energy - Vacancy migration;
D O I：
10.1134/S0036029515050080
中图分类号：
学科分类号：
摘要：
The vacancy migration energy in fcc metals is calculated using a modified embedded-atom method and with allowance for the relaxation of the atoms nearest to a vacancy. The calculated energies are close to the experimentally determined vacancy migration energies. Taking into account the relaxation of the atoms nearest to a vacancy makes it possible to find a relation between the sublimation energy of a metal and the calculated vacancy migration energy. This relation is shown to correlate satisfactorily with the experimental relation between these parameters. © 2015, Pleiades Publishing, Ltd.
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页码：400 / 406
页数：6
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