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Molecular Dynamics Investigation of Interaction of Hydrogen Impurity with Twist Boundaries in Ni and Pd

  • CONDENSED-STATE PHYSICS
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Russian Physics Journal Aims and scope

Using MD computer simulations, the interaction of hydrogen impurity with the (100) and (111) twist boundaries in Ni and Pd is investigated. It is shown that twist boundaries can act as hydrogen traps, though less efficient compared to vacancies and edge dislocations. According to the data obtained, the energy of hydrogen bonding with the twist boundaries is not higher than 0.1 eV for both metals under study.

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Authors and Affiliations

  1. I. I. Polzunov Altai State University, Barnaul, Russia

    G. M. Poletaev, E. S. Medvedeva, D. V. Novoselova & M. D. Starostenkov

  2. Siberian State Industrial University, Novokuznetsk, Russia

    I. V. Zorya

Authors
  1. G. M. Poletaev
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  2. E. S. Medvedeva
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  3. I. V. Zorya
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  4. D. V. Novoselova
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  5. M. D. Starostenkov
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Corresponding author

Correspondence to G. M. Poletaev.

Additional information

Translated from IzvestiyaVysshikhUchebnykhZavedenii, Fizika, No. 2, pp. 3–7, February, 2017.

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Poletaev, G.M., Medvedeva, E.S., Zorya, I.V. et al. Molecular Dynamics Investigation of Interaction of Hydrogen Impurity with Twist Boundaries in Ni and Pd. Russ Phys J 60, 201–205 (2017). https://doi.org/10.1007/s11182-017-1062-2

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  • DOI: https://doi.org/10.1007/s11182-017-1062-2

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