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Статья

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

Russian Metallurgy (Metally). 2015. No. 5. P. 400-406.
Iskakov B. M., Baigisova K. B., Bondarenko G.

The vacancy migration energy in fcc metals is calculated using a modified embeddedatom 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.