New Method for Calculating Pairwise Effective Potential in Binary Solid Solutions

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.…”