Atomistic Simulation of Symmetric and Asymmetric Tilt Grain Boundaries 5 <001> in Niobium: Structure, Energy, Point Defects, Grain Boundary Self-Diffusion
- Авторлар: Stupak M.1, Uгazaliev M.1, Popov V.1
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Мекемелер:
- Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences
- Шығарылым: Том 124, № 8 (2023)
- Беттер: 732-738
- Бөлім: СТРУКТУРА, ФАЗОВЫЕ ПРЕВРАЩЕНИЯ И ДИФФУЗИЯ
- URL: https://journals.rcsi.science/0015-3230/article/view/139490
- DOI: https://doi.org/10.31857/S0015323023600879
- EDN: https://elibrary.ru/PIKNUR
- ID: 139490
Дәйексөз келтіру
Аннотация
Symmetric and three asymmetric tilt grain boundaries Ʃ 5 in niobium have been studied by computer simulation methods. The structure and energies of the boundaries under consideration, as well as the energies of the formation of point defects in them, are calculated by the method of molecular-static modeling. The dependences of the formation energies of point defects on the distance from the plane of the grain boundary are analyzed. Using the method of molecular dynamics, the coefficients of grain-boundary self-diffusion for the considered boundaries are calculated.
Негізгі сөздер
Авторлар туралы
M. Stupak
Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences
Email: vpopov@imp.uran.ru
Ekaterinburg, 620108 Russia
M. Uгazaliev
Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences
Email: vpopov@imp.uran.ru
Ekaterinburg, 620108 Russia
V. Popov
Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences
Хат алмасуға жауапты Автор.
Email: vpopov@imp.uran.ru
Ekaterinburg, 620108 Russia
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