Diffusion of Hydrogen in the γ Phase of Titanium Hydride

摘要: The diffusion of hydrogen in titanium hydride has been examined terms a simple electrostatic model. energy atom at various positions the lattice calculated from screened Coulombic potentials, neglecting repulsive other origins. This gives Ea, activation for diffusion, as function net electronic charge on atom. Agreement with experimental results Ea is obtained value which consistent evidence. model exhibits distinct preference accommodation tetrahedral rather than octahedral interstices γ phase. It predicts decrease observed hydrides containing less stoichiometric proportion hydrogen. Moreover, provides an explanation tendency phase to distribute itself randomly and uniformly throughout form aggregates.