A thermodynamically consistent approach to describe the effect of thermal vacancy on abnormal thermodynamic behaviors of pure metals: application to body centered cubic W

Abstract

In this paper, we developed a thermodynamically consistent approach to account for the Gibbs energy of pure metallic element with thermal vacancy over wide temperature range. Taking body centered cubic (bcc) W for a demonstration, the strong nonlinear increase for temperature dependence of heat capacities at high temperatures and a nonlinear Arrhenius plots of vacancy concentration in bcc W can be nicely reproduced by the obtained Gibbs energy. The successful description of thermal vacancy on abnormal thermodynamic behaviors in bcc W indicates that the presently proposed thermodynamically consistent approach is a universal one, and applicable to the other metals.