The kinetic and thermodynamic effects of vacancy-interstitial interactions in PdH solutions

Abstract

Statistical mechanical techniques have been used to calculate the effects of interactions between H-atoms and vacancies in Pd. Using a spectrum of H-vacancy binding energies generated by effective medium calculations, it has been shown that the creation of H-induced vacancies can lead to drastic increases in the diffusivity of the lattice atom, but that the effects reflected in the thermodynamic functions of the H-atoms will be less than the experimentally detectable limits.