Application of physical–empirical models to calculate a fragment of the phase diagram and the physical properties of bcc Fe–Cr alloys: II. Calculation of phase boundaries, spinodal, and the temperature dependence of the heat capacity of an alloy

Аннотация

The contributions at a temperature of 500 and 600 K of the chemical, elastic, vibrational, magnetic, electronic, and configurational energies to the Gibbs energy of mixing of bcc alloys without regard for the contribution of a short-range order are calculated as functions of composition and temperature using physical–empirical models. The temperature dependences of the heat capacity of an alloy in both one- and twophase states are calculated. The heat capacity jumps calculated for alloys of various compositions can be used to estimate the equilibrium solubility boundaries of Fe–Cr alloys, which can hardly be found from experimental data because of the slow diffusion processes that occur when an equilibrium state is reached. The calculated solubility boundary of bcc solid solutions and the spinodal and the heat capacity of Fe–Cr alloys are compared with the experimental data and the calculation results obtained in other works. The agreement and discrepancy between these data are discussed.