Semi-empirical model for prediction of crystal-melt interfacial tension

A simple formula for the crystal-melt interfacial free energy gamma(sl) is derived with the aid of the concept of an inter-planar adhesion potential function. It is found that gamma(sl) scales with the melting point T-m and the atomic volume Omega(sm)(2/3) of the solid at the melting point in conformity with the law of corresponding states and with molecular dynamics simulations. The new expression correctly describes the gamma(sl) data obtained in supercooling experiments and explains the nature of Turnbull's empirical rule. It predicts gamma(sl) for a wide variety of elements including metals and semimetals, and of organic and inorganic substances, in excellent agreement with available experimental data. (C) 2004 Elsevier B.V. All rights reserved.