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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2011, Issue 4, Pages 114–119
(Mi vyurm231)
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This article is cited in 1 scientific paper (total in 1 paper)
Physics
Ab initio modeling of vacancy-point defects interaction in BCC iron
A. V. Ursaeva, M. S. Rakitin, G. E. Ruzanova, A. A. Mirzoev South Ural State University
Abstract:
Ab initio modeling of the hydrogen and vacancy-solute atom complex interaction in BCC iron are carried out. The equilibrium position and hydrogen energy trap are obtained. It was shown, that a hydrogen bond with the vacancy-solute atom complex is mainly determined by the hydrogen-vacancy interaction.
Keywords:
ab initio, BCC iron, hydrogen, point defects.
Received: 31.01.2011
Citation:
A. V. Ursaeva, M. S. Rakitin, G. E. Ruzanova, A. A. Mirzoev, “Ab initio modeling of vacancy-point defects interaction in BCC iron”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 2011, no. 4, 114–119
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https://www.mathnet.ru/eng/vyurm231 https://www.mathnet.ru/eng/vyurm/y2011/i4/p114
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Abstract page: | 155 | Full-text PDF : | 75 | References: | 33 |
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