The solute triplet partial structure factor in the long-wavelength limit of highly diluted liquid binary alloys-application to liquid mercury alloys with the minimum in the thermoelectric power Q

Abstract

A new solute triplet partial structure factor (STPSF) in the long-wavelength (LWL) limit for highly diluted liquid binary alloys, K111(0,0), is presented on the basis of the formulation of Parrinello and Tosi. This new STPSF in the LWL limit can be evaluated by using classical thermodynamic parameters such as an interaction parameters epsilon 11 and a size factor delta 0. Numerical calculations of this K111(0,0) have been made for liquid mercury alloys with a minimum in the thermodynamic power Q. The degree of the minimum in the thermoelectric power Q increases with the increase of the magnitude of this K111(0,0). This fact also indicates the importance of higher-order correlation effects for the origin of the minimum in the thermoelectric power Q, which has been pointed out in recent studies by Itami and coworkers.