Universal equation of state of solid bodies and interatomic potentials

V.Ogorodnikov
 

I. M. Frantsevich Institute for Problems of Materials Science of the NAS of Ukraine, Krzhizhanovsky str., 3, Kyiv, 03142, Ukraine
Mathematical Models and Computing Experiment in Material Science - Kiev: Frantsevich Institute for Problems of Materials Science NASU, 2010, #12
http://www.materials.kiev.ua/article/452

Abstract

Universal empirical equations of E(V) and P(V) states of solids are derived analytically from the standard interatomic potentials. A circumstantiation of these equations is given with a help of introducing additional parameters that take into account such properties of solids as Gruneisen parameter, baric coefficient and volume derivatives of energy up to fourth order. The universal pair potential is derived and a method of its parameter determination is given. Parameters of potentials and state equations for 14 BCC metals are calculated


BARIC COEFFICIENT, BCC METALS, GRUNEISEN PARAMETER, INTERATOMIC POTENTIAL, POTENTIAL ENERGY, SOLIDS, STATE EQUATION