Geodesic
The comparative results of the thermodynamic and first-principle modeling of disordered solutions of the Fe–V system
Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 15 (2023) no. 4, pp. 68-76

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This paper considers the concentration dependences of the average magnetic moment of the Fe–V system and solution enthalpy as a function of the vanadium concentration from 1 to 10 at% for a disordered Fe–V solid solution in an orderly magnetic state using first-principle calculations of the electronic structure in the WIEN2k software package. The results are compared with data obtained using CALPHAD-models in previous studies. A conclusion about the prospects of finding a possible inversion of the short-range order in Fe–V alloys similar to the inversion in Fe–Cr systems has been made on this basis.
Keywords: ab initio modeling, magnetic moments
Mots-clés : Fe–V solid solutions, solution enthalpy. 
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     title = {The comparative results of the thermodynamic and first-principle modeling of disordered solutions of the {Fe{\textendash}V} system},
     journal = {Vestnik \^U\v{z}no-Uralʹskogo gosudarstvennogo universiteta. Seri\^a, Matematika, mehanika, fizika},
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     year = {2023},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VYURM_2023_15_4_a7/}
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A. A. Mirzoev; A. V. Verkhovykh. The comparative results of the thermodynamic and first-principle modeling of disordered solutions of the Fe–V system. Vestnik Ûžno-Uralʹskogo gosudarstvennogo universiteta. Seriâ, Matematika, mehanika, fizika, Tome 15 (2023) no. 4, pp. 68-76. http://geodesic.mathdoc.fr/item/VYURM_2023_15_4_a7/