Geodesic
Ab initio modeling of the grain boundary formation energy in BCC iron
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 5 (2013) no. 1, pp. 76-81

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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, grain boundary.
Mots-clés : BCC iron 
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     author = {A. V. Verkhovykh and A. A. Mirzoev},
     title = {Ab initio modeling of the grain boundary formation energy in {BCC} iron},
     journal = {Vestnik \^U\v{z}no-Uralʹskogo gosudarstvennogo universiteta. Seri\^a, Matematika, mehanika, fizika},
     pages = {76--81},
     publisher = {mathdoc},
     volume = {5},
     number = {1},
     year = {2013},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VYURM_2013_5_1_a11/}
}
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A. V. Verkhovykh; A. A. Mirzoev. Ab initio modeling of the grain boundary formation energy in BCC iron. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 5 (2013) no. 1, pp. 76-81. http://geodesic.mathdoc.fr/item/VYURM_2013_5_1_a11/