Ya. M. Ridnyi, A. A. Mirzoev, D. A. Mirzaev, “Ab-initio simulation of influence of short-range ordering carbon impurities on the energy of their dissolution in the FCC-iron”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 5:2 (2013), 108

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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2013, Volume 5, Issue 2, Pages 108–116 (Mi vyurm83)

This article is cited in 4 scientific papers (total in 4 papers)

Physics

Ab-initio simulation of influence of short-range ordering carbon impurities on the energy of their dissolution in the FCC-iron

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

South Ural State University

Full-text PDF (9390 kB) Citations (4)

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Abstract: The first principle simulation of equilibrium structure and FCC-iron characteristics was carried out by the software package WIEN2k. The optimal parameters which allow building the most accurate model were generated. Energies of dissolution of carbon atoms, their relative positions and the contribution of the elastic effects to the energy of system were calculated for non-magnetic (NM) and double-layer antiferromagnetic states (AFMD) of FCC-iron.

Keywords: irst principle simulation; FCC-iron; carbon impurity; WIEN2k.

Received: 11.06.2013

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 influence of short-range ordering carbon impurities on the energy of their dissolution in the FCC-iron”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 5:2 (2013), 108–116

Citation in format AMSBIB

\Bibitem{RidMirMir13}

\by Ya.~M.~Ridnyi, A.~A.~Mirzoev, D.~A.~Mirzaev

\paper Ab-initio simulation of influence of short-range ordering carbon impurities on the energy of their dissolution in the FCC-iron

\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.

\yr 2013

\vol 5

\issue 2

\pages 108--116

\mathnet{http://mi.mathnet.ru/vyurm83}

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https://www.mathnet.ru/eng/vyurm83

https://www.mathnet.ru/eng/vyurm/v5/i2/p108

This publication is cited in the following 4 articles:

Ya. M. Ridnyi, A. A. Mirzoev, D. A. Mirzaev, “Opredelenie optimalnykh parametrov modelirovaniya dlya maksimalno tochnykh raschetov energii v OTsK-zheleze”, Vestn. Yuzhno-Ur. un-ta. Ser. Matem. Mekh. Fiz., 8:4 (2016), 63–69
Ya. M. Ridnyi, A. A. Mirzoev, D. A. Mirzaev, “Primesi ugleroda v paramagnitnom GTsK-zheleze: ab initio modelirovanie energeticheskikh parametrov”, Vestn. Yuzhno-Ur. un-ta. Ser. Matem. Mekh. Fiz., 7:2 (2015), 56–63
Ya. M. Ridnyi, A. A. Mirzoev, D. A. Mirzaev, “Ab-initio modelirovanie energii rastvoreniya atoma ugleroda v paramagnitnom GTsK-zheleze”, Vestn. Yuzhno-Ur. un-ta. Ser. Matem. Mekh. Fiz., 6:3 (2014), 86–91
Ya. M. Ridnyi, A. A. Mirzoev, D. A. Mirzaev, “Raschet iz pervykh printsipov energii vzaimodeistviya mezhdu atomami ugleroda v antiferromagnitnom dvukhsloinom sostoyanii GTsK-zheleza”, Vestn. Yuzhno-Ur. un-ta. Ser. Matem. Mekh. Fiz., 6:4 (2014), 53–58

Citing articles in Google Scholar: Russian citations, English citations
Related articles in Google Scholar: Russian articles, English articles

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