Magnetics Influence for Calculating the Structural and Thermodynamic Properties of σ-phase in the Fe-V System for Three-sub-lattice Model

Abstract

The three-sub-lattice approximation model calculations of the energies and magnetic parameters (Curie temperature and mean magnetic moment) were used. The distributions of atomic species between different model sub-lattices and the thermodynamic properties depending on the Fe-V alloy compositions at T = 0K were evaluated by solving the set of equations at T = 0K obtained by minimizing the functional ΔG with respect to the independent configuration degrees of freedom.The comparison of the calculated data on the structural properties of -phases in Fe-(Cr, V) systems depending on composition and temperature was conducted.The consistency of the input data and the calculation results for the thermodynamic properties is obtained, namely, the dependence of the enthalpy of mixing of the -phase of the Fe-V system on the composition relatively of the BCC phases of pure Fe and V. The input data was used to find the initial values of the model parameters.The consistency of these data proves the correctness of the found energy parameters of the model.