Pseudopotential calculation of thermodynamic properties and glass transition temperatures of binary Ni-Al alloys

Abstract

The pseudopotential method and thermodynamic perturbation theory are applied to investigate the thermodynamics of Ni-Al alloys. The Einstein model approximation in the solid phase and the Percus-Yevick hard-sphere approximation in the liquid phase are chosen as reference systems. In all the calculations the local Animalu pseudopotential and the non-local pseudopotential with resonant contribution in the case of a transition metal are used. The static concentration-wave method is applied to investigate the ordering process in the solid phase. Taking charge transfer into consideration within the framework of the non-local resonant potential model, the authors have described the features of the main excess mixing characteristics and the dynamic viscosity in the liquid system studied. It is shown that in Ni50Al50 alloy the Kauzmann reduced temperature is higher than in pure Ni but insufficient for ready glass formation.