Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika"
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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2014, Volume 6, Issue 3, Pages 86–91 (Mi vyurm39)  
This article is cited in 2 scientific papers (total in 2 papers)

Physics

Ab-initio simulation of dissoilution energy of carbon atom in the paramagnetic state of FCC-iron

Ya. M. Ridnyi, A. A. Mirzoev, D. A. Mirzaev

South Ural State University
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Abstract: Ab-initio simulation of an equilibrium structure and FCC-iron characteristics was carried out using the WIEN2k software package. The dissolution energy of a carbon atom in the paramagnetic states of FCC-iron was calculated according to statistical methods, obtaining the result of $0,25\pm0,09$ eV.
Keywords: FCC-iron; first principle simulation; carbon impurities; WIEN2k; LAPW method.
Received: 19.05.2014
Document Type: Article
UDC: 669.112.227.1:538.915
Language: Russian
Citation: Ya. M. Ridnyi, A. A. Mirzoev, D. A. Mirzaev, “Ab-initio simulation of dissoilution energy of carbon atom in the paramagnetic state of FCC-iron”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 6:3 (2014), 86–91
Citation in format AMSBIB
\Bibitem{RidMirMir14}
\by Ya.~M.~Ridnyi, A.~A.~Mirzoev, D.~A.~Mirzaev
\paper Ab-initio simulation of dissoilution energy of carbon atom in the paramagnetic state of FCC-iron
\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.
\yr 2014
\vol 6
\issue 3
\pages 86--91
\mathnet{http://mi.mathnet.ru/vyurm39}
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