The thermodynamic properties of Al–H solid solutions containing lattice vacancies were discussed by using an approach in which the grand canonical ensemble was used to elucidate the behavior of an Al–V–H system in Fermi–Dirac statistics. Calculations were compared for specific models in which H atoms acted both as a simple interstitial species and formed either decorated vacancies or substitutional defects. The vacancy concentrations which were concomitant with various levels of hydrogenization were calculated, and approximate penetration curves for the ingress of vacancies from the metal surface were obtained.

The Thermodynamics of Hydrogen–Vacancy Interactions in Aluminum. J.Mao, R.B.McLellan: Journal of Physics and Chemistry of Solids, 2002, 63[11], 2029-36