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Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 2012, Issue 6, Pages 97–104 (Mi vyurm113)  

Physics

On equilibrium vacancy concentration in iron-hydrogen alloys

D. A. Mirzaev, A. A. Mirzoev, K. Yu. Okishev, A. D. Shaburov, G. E. Ruzanova, A. V. Ursaeva

South Ural State University

Abstract: The authors developed a statistic theory of solid iron-hydrogen alloys considering interaction of hydrogen with the vacancies for improving A. A. Smirnov’s theory. The authors estimated the energy of formation of the complexes with different number of hydrogen atoms “from the first principles”. They gave the quantitative evaluation of concentration of such complexes depending on the temperature and influence of mutual interaction of the vacancies with hydrogen on their equilibrium concentration.

Keywords: iron, hydrogen, vacancy, first principle calculations, vacancy concentration.

Full text: PDF file (300 kB)
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UDC: 669.112.228:669.788
Received: 15.02.2012

Citation: D. A. Mirzaev, A. A. Mirzoev, K. Yu. Okishev, A. D. Shaburov, G. E. Ruzanova, A. V. Ursaeva, “On equilibrium vacancy concentration in iron-hydrogen alloys”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 2012, no. 6, 97–104

Citation in format AMSBIB
\Bibitem{MirMirOki12}
\by D.~A.~Mirzaev, A.~A.~Mirzoev, K.~Yu.~Okishev, A.~D.~Shaburov, G.~E.~Ruzanova, A.~V.~Ursaeva
\paper On equilibrium vacancy concentration in iron-hydrogen alloys
\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.
\yr 2012
\issue 6
\pages 97--104
\mathnet{http://mi.mathnet.ru/vyurm113}


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