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


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Abstract

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.

About the authors

G. M. Poletaev

Polzunov Altai State Technical University

Author for correspondence.
Email: gmpoletaev@mail.ru
Russian Federation, Barnaul, 656038

M. D. Starostenkov

Polzunov Altai State Technical University

Email: gmpoletaev@mail.ru
Russian Federation, Barnaul, 656038

I. V. Zorya

Siberian State Industrial University

Email: gmpoletaev@mail.ru
Russian Federation, Novokuznetsk, 654006

M. A. Il’ina

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

Email: gmpoletaev@mail.ru
Russian Federation, Barnaul, 656036

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