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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.

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Authors and Affiliations

  1. Polzunov Altai State Technical University, 656038, Barnaul, Russia

    G. M. Poletaev & M. D. Starostenkov

  2. Siberian State Industrial University, 654006, Novokuznetsk, Russia

    I. V. Zorya

  3. Barnaul Branch, Financial University under the Government of the Russian Federation, 656036, Barnaul, Russia

    M. A. Il’ina

Authors
  1. G. M. Poletaev
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  2. M. D. Starostenkov
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  3. I. V. Zorya
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  4. M. A. Il’ina
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Correspondence to G. M. Poletaev.

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Translated by K. Shakhlevich

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Poletaev, G.M., Starostenkov, M.D., Zorya, I.V. et al. Molecular Dynamics Study of the Point Defect Migration in the Ordered CuPt Alloy during Deformation. Russ. Metall. 2019, 927–931 (2019). https://doi.org/10.1134/S0036029519100227

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  • DOI: https://doi.org/10.1134/S0036029519100227

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