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Nanosystems: Physics, Chemistry, Mathematics, 2012 Volume 3, Issue 6, Pages 64–69 (Mi nano717)

PHYSICS

Interatomic interaction in BBC metals

V. E. Zalizniak

Siberian Federal University, Krasnoyarsk

Abstract: Parameters of interatomic potential for 10 bcc metals are presented in this paper. The potential is based on the embedded atom method (V.E. Zalizniak, O.A. Zolotov. Universal interatomic potential for pure metals. Nanosystems: Physics, Chemistry, Mathematics 2012, v. 3(1), p.76). Parameters are determined empirically by fitting to the equilibrium lattice constant, sublimation energy, vacancy formation energy and elastic constants.

Keywords: interatomic potential, embedded atom method.

UDC: 539.186.3

PACS: 34.20.Cf



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