Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika"
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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2011, Issue 4, Pages 114–119 (Mi vyurm231)  
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
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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
Document Type: Article
UDC: 538.915
Language: Russian
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
Citation in format AMSBIB
\Bibitem{UrsRakRuz11}
\by A.~V.~Ursaeva, M.~S.~Rakitin, G.~E.~Ruzanova, A.~A.~Mirzoev
\paper \emph{Ab initio} modeling of vacancy-point defects interaction in BCC iron
\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.
\yr 2011
\issue 4
\pages 114--119
\mathnet{http://mi.mathnet.ru/vyurm231}
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    • This publication is cited in the following 1 articles:
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