Atomic transport properties of AgIn liquid binary alloys

Abstract

The atomic transport properties namely the diffusion coefficient and shear viscosity of less-simple liquid binary alloys, AgIn, are investigated by using the distribution function method. The interionic interaction is modeled by a local pseudopotential. The soft part contribution of the potential to the viscosity involves an integration. The relevant integrand becomes divergent although the derivatives of the potential as well as the pair distribution function individually converge. Thus a truncation of the integrand is required for numerical calculation. The effect of different truncation position on the viscosity is examined thoroughly. An effective truncation procedure is proposed. Results show that the hard part contribution of the potential is dominant for the concerned systems.