Physics

The influence of effective pair potential hybridization on the liquid iron properties

V. A. Starukhin, A. A. Mirzoev

South Ural State University

Abstract: A set of effective pair potentials for liquid iron at 1923 K was calculated by means of D. K. Belashchenko hybridization method. The present article illustrates the influence of a hybrid potential choice on the model of thermodynamics and structural properties. On the basis of the results obtained a criterion for the most adequate effective pair potential selection from a set of hybrid potentials is proposed.

Keywords: effective pair potential, computer simulation, disordered systems, liquid structure, molecular dynamics.

UDC: 538.911, 538.913

Received: 26.04.2012