Modeling heats of solution for CuNixM(1−x): M = Rh, Sr, and Ir alloys

Abstract

So far, many research works have been carried out on the heats of solutions for binary alloy systems, but research studies on ternary heats of solutions are still scarce. The thermodynamic properties of the ternary CuNixM(1−x) system, where M = Rh, Sr, and Ir, were predicted using the concept of the thermodynamic properties of binary systems for the ternary system. The idea of predicting CuNixM(1−x) values was regarded as the calculation of the values of heats of solutions and Gibbs free energy for the ternary alloys. The embedded atom method formalism was used to calculate the parameters for the heats of solutions of binary alloys in reasonable compliance with the available experiment and was extended to the prediction of the thermodynamic properties of ternary alloys. The calculated heats of solutions of the ternary systems Cu–Ni–Rh, Cu–Ni–Sr, and Cu–Ni–Ir are −0.814, 16.840, and −1.504 eV, respectively. It was observed that the heat of solution decreases as the value of x increases with Rh and Sr, while the heat of solution increases as x increases for Ir. The stability order is Cu–Ni–Ir, Cu–Ni–Rh, and Cu–Ni–Sr. The liquidus temperature TL at various values of x = 0.00, 0.25, 0.50, 0.75, and 1.00 for the ternary alloys is presented.