Enviar artigo por via de e-mail Molecular Dynamics Investigation of Interaction of Hydrogen Impurity with Twist Boundaries in Ni and Pd
- Autores: Poletaev G.M.1, Medvedeva E.S.1, Zorya I.V.2, Novoselova D.V.1, Starostenkov M.D.1
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Afiliações:
- I. I. Polzunov Altai State University
- Siberian State Industrial University
- Edição: Volume 60, Nº 2 (2017)
- Páginas: 201-205
- Seção: 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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Resumo
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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Sobre autores
G. Poletaev
I. I. Polzunov Altai State University
Autor responsável pela correspondência
Email: gmpoletaev@mail.ru
Rússia, Barnaul
E. Medvedeva
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Rússia, Barnaul
I. Zorya
Siberian State Industrial University
Email: gmpoletaev@mail.ru
Rússia, Novokuznetsk
D. Novoselova
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Rússia, Barnaul
M. Starostenkov
I. I. Polzunov Altai State University
Email: gmpoletaev@mail.ru
Rússia, Barnaul
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