Email this article Molecular Dynamics Investigation of Interaction of Hydrogen Impurity with Twist Boundaries in Ni and Pd
- Authors: Poletaev G.M.1, Medvedeva E.S.1, Zorya I.V.2, Novoselova D.V.1, Starostenkov M.D.1
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Affiliations:
- I. I. Polzunov Altai State University
- Siberian State Industrial University
- Issue: Vol 60, No 2 (2017)
- Pages: 201-205
- Section: Condensed-State Physics
- URL: https://bakhtiniada.ru/1064-8887/article/view/237931
- DOI: https://doi.org/10.1007/s11182-017-1062-2
- ID: 237931
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Abstract
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.
About the authors
G. M. Poletaev
I. I. Polzunov Altai State University
Author for correspondence.
Email: gmpoletaev@mail.ru
Russian Federation, Barnaul
E. S. Medvedeva
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Russian Federation, Barnaul
I. V. Zorya
Siberian State Industrial University
Email: gmpoletaev@mail.ru
Russian Federation, Novokuznetsk
D. V. Novoselova
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Russian Federation, Barnaul
M. D. Starostenkov
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Russian Federation, Barnaul
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