Calculation of ordering energies by the model potential method taking into account the linear size effect in the Ni-14at.%Pt alloy

Abstract

For disordered binary solid solutions, a new method is proposed for calculating the ordering energies in an arbitrary coordination sphere, taking into account the linear size effect. Using the model potential of transition metals, the Animalu calculated the ordering energies of the Ni-14at.% Pt solid solution in twelve coordination spheres. The temperature of the order-disorder phase transition was estimated for the Ni-14at.%Pt alloy. Satisfactory agreement with the experimental data is obtained.

Calculation of Pairwise Effective Potentials in the Disordered Ni-22.5at.%Fe Alloy Using Model Potential Method with Account of Size Effect

“…Similarly to [5,6], the changes in the atomic sizes of the components occurring during fusion can be approximately estimated using the relations…”

“…where r AA 0 and r BB 0 are interatomic distances in pure metal, r AA 1 and r BB 1 are interatomic distances in alloy, CA and CB are concentrations of components, KA and KB are fitting coefficients. In contrast to [5,6 ], in this work, the fit was carried out using two fitting coefficients KA and KB.…”

“…This indicates that one of the important factors was not taken into account in the theoretical description of the phenomenon of short-range ordering. According to [5,6], such a factor is taking into account the size effect.…”