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Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 2013, Volume 5, Issue 1, Pages 76–81 (Mi vyurm52)  

This article is cited in 1 scientific paper (total in 1 paper)

Physics

Ab initio modeling of the grain boundary formation energy in BCC iron

A. V. Verkhovykh, A. A. Mirzoev

South Ural State University

Abstract: First-principles modeling of the grain boundary $\Sigma5$ BCC iron are carried out by WIEN2k code. Optimal parameters and the grain boundary formation energy for the two tilt angles are calculated.

Keywords: first-principles modeling, BCC iron, grain boundary.

Full text: PDF file (595 kB)
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UDC: 538.915
Received: 11.01.2013

Citation: A. V. Verkhovykh, A. A. Mirzoev, “Ab initio modeling of the grain boundary formation energy in BCC iron”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 5:1 (2013), 76–81

Citation in format AMSBIB
\Bibitem{VerMir13}
\by A.~V.~Verkhovykh, A.~A.~Mirzoev
\paper Ab initio modeling of the grain boundary formation energy in BCC iron
\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.
\yr 2013
\vol 5
\issue 1
\pages 76--81
\mathnet{http://mi.mathnet.ru/vyurm52}


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    This publication is cited in the following articles:
    1. V. G. Zavodinskii, Yu. G. Kabaldin, “Kvantovo-mekhanicheskoe issledovanie vliyaniya primesei ($\mathrm{C}$ i $\mathrm{P}$) na prochnostnye kharakteristiki ferrita ($\alpha-\mathrm{Fe}$)”, Comp. nanotechnol., 2017, no. 1, 36–38  mathnet  elib
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