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- W2397281290 abstract "The three- sub-lattice model (3SLM) for description of atom's distribution of two components with different coordination numbers (12, 14 and 15), into σ-phase structure depended on composition and temperature is depictured in this paper. Energetic parameters of 3SLM were calculated by fitting procedure fixed to results obtained by ab-initio calculations conducted for paramagnetic states of differently ordered complexes stayed at the sigma- phase's crystal structure for Fe-Cr system at 0 K. Respective algorithm and computer program have allowed to calculate an atom distribution of components upon the sub-lattices of σ-phase at 300 - 1100 K. The temperature dependences of filling atoms on the model three sub-lattices for alloys compositions 40, 50 and 60 at. % Fe was calculated. There is satisfactory agreement between calculated results and the experimental data obtained by neutron and structural research methods. The equilibrium between BCC solutions and σ- phase of Fe-Cr system was calculated. The satisfactory consent of results of calculation with experimental data for education temperature σ- phases from BCC- solution and some divergences with experiments is received at 800 K." @default.
- W2397281290 created "2016-06-24" @default.
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- W2397281290 date "2016-04-01" @default.
- W2397281290 modified "2023-09-27" @default.
- W2397281290 title "The comparison of different approaches to the modeling of the structural properties σ-phase of Fe-Cr system" @default.
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- W2397281290 doi "https://doi.org/10.1088/1757-899x/130/1/012064" @default.
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