Equivalent thermo-mechanical parameters for perfect crystals

Abstract

Thermo-elastic behavior of perfect single crystal is considered. The crystal is represented as a set of interacting particles (atoms). The approach for determination of equivalent continuum values for the discrete system is proposed. Averaging of equations of particles' motion and long wave approximation are used in order to make link between the discrete system and equivalent continuum. Basic balance equations for equivalent continuum are derived from microscopic equations. Macroscopic values such as Piola and Cauchy stress tensors and heat flux are represented via microscopic parameters. Connection between the heat flux and temperature is discussed. Equation of state in Mie-Gruneisen form connecting Cauchy stress tensor with deformation gradient and thermal energy is obtained from microscopic considerations.