The comparative results of the thermodynamic and first-principle modeling of disordered solutions of the Fe-V system

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.