Molecular Dynamics Investigation of Interaction of Hydrogen Impurity with Twist Boundaries in Ni and Pd
- Авторы: Poletaev G.M.1, Medvedeva E.S.1, Zorya I.V.2, Novoselova D.V.1, Starostenkov M.D.1
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Учреждения:
- I. I. Polzunov Altai State University
- Siberian State Industrial University
- Выпуск: Том 60, № 2 (2017)
- Страницы: 201-205
- Раздел: 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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Аннотация
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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Об авторах
G. Poletaev
I. I. Polzunov Altai State University
Автор, ответственный за переписку.
Email: gmpoletaev@mail.ru
Россия, Barnaul
E. Medvedeva
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Россия, Barnaul
I. Zorya
Siberian State Industrial University
Email: gmpoletaev@mail.ru
Россия, Novokuznetsk
D. Novoselova
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Россия, Barnaul
M. Starostenkov
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Россия, Barnaul
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