Molecular Dynamics Study of the Point Defect Migration in the Ordered CuPt Alloy during Deformation


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Abstract—The migration energies of a vacancy and an interstitial atom in the ordered CuPt alloy are calculated using molecular dynamics simulation. A high interstitial atom migration anisotropy is detected: as a rule, an interstitial atom migrates along the (111) planes containing copper atoms. A similar anisotropy is also observed for the vacancy migration during elastic tensions along these planes.

作者简介

G. Poletaev

Polzunov Altai State Technical University

编辑信件的主要联系方式.
Email: gmpoletaev@mail.ru
俄罗斯联邦, Barnaul, 656038

M. Starostenkov

Polzunov Altai State Technical University

Email: gmpoletaev@mail.ru
俄罗斯联邦, Barnaul, 656038

I. Zorya

Siberian State Industrial University

Email: gmpoletaev@mail.ru
俄罗斯联邦, Novokuznetsk, 654006

M. Il’ina

Barnaul Branch, Financial University under the Government of the Russian Federation

Email: gmpoletaev@mail.ru
俄罗斯联邦, Barnaul, 656036


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