Ab initio simulation of the energy of nitrogen dissolution in the FCC lattice of iron
Автор: Ridnyy Ya.M., Mirzoev A.A., Mirzaev D.A.
Журнал: Вестник Южно-Уральского государственного университета. Серия: Металлургия @vestnik-susu-metallurgy
Статья в выпуске: 2 т.14, 2014 года.
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The ab initio simulation of equilibrium structure and characteristics of solid solution of nitrogen in fcc iron was carried out with the WIEN2k software package. Energies of nitrogen atom dissolution were calculated for both non-magnetic and double-layer antiferromagnetic states of fcc iron.
Nitrogen impurity, wien2k, ab initio simulation, fcc iron
Короткий адрес: https://sciup.org/147156871
IDR: 147156871
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