Variable-lattice model of multi-component systems. 1. General consideration

TL;DR

This paper develops a variable-lattice model for multi-component systems that accounts for differences in atomic volumes and local environments, providing thermodynamic functions and phase equilibrium equations.

Contribution

It introduces a new variable-lattice model (VLM) that extends the generalized lattice model by including local atomic environment effects.

Findings

Derived thermodynamic functions for homogeneous phases

Established equations of phase equilibrium between gaseous and condensed phases

Accounted for atomic volume differences in multi-component systems

Abstract

The paper contains a development of the previously proposed generalized lattice model (GLM). In contrast to usual lattice models, the difference of the specific atomic volumes of the components is taken in account in GLM. In addition to GLM, the dependence of the specific atomic volumes on local atomic environments taken into account in new variable-lattice model (VLM). Thermodynamic functions of multi-component homogeneous phases in the VLM are obtained. Equations of equilibrium between gaseous and condensed phases are derived. PACS: 05.20.-y, 05.70.-a, 82.65.+r Key Words: Lattice models, Free energy, Phase equilibrium, Long-range and short-range inter-atomic potentials