Thermodynamics of Point Defects in Solids and Relation with the Bulk Properties: Recent Results

Abstract

For several decades, the crucial question has arisen as to whether there exists any direct interconnection between the thermodynamic parameters of point defects in solids with the bulk properties of the solid under investigation. To answer this important question, an interrelation of the defect Gibbs energy gi in solids with bulk properties has been proposed almost half a century ago. Considering that gi corresponds to an isobaric and isothermal process, this interrelation states that, for different processes (defect formation, self-diffusion activation, and heterodiffusion), gi is proportional to the isothermal bulk modulus B and the mean volume per atom Ω, termed cBΩ model. Here, we review several challenging applications of this interrelation that appeared during the last decade (2011–2021), including high pressure diamond anvil measurements, high Tc superconductors, nuclear fuels, and materials for micro-electronics devices, applications of usefulness in Geophysics and Seismology, a problem of major technological interest, search for compositions of better target properties in Cu-Co-Si alloys via machine learning as well as two independent studies on the physical origin of this interrelation that has been further strengthened during the last few years.

Keywords

• defects in solids
• thermodynamics
• diffusion