On the model for the diffusion of hydrogen in titanium hydride

The diffusion parameters of hydrogen in the gamma phase of titanium hydride are discussed in the light of nuclear magnetic resonance measurements and inelastic neutron scattering data. A comparison with a previously proposed electrostatic model for diffusion is made. It is shown that the electrostatic model is not satisfactory in explaining hydrogen diffusion in titanium. An alternate potential well system based on inelastic neutron scattering data is shown to be consistent with nuclear magnetic resonance measurements. The model can in principle be used for estimating the tunneling contribution to diffusion. The potential well shape is consistent with the notion that for hydrogen diffusion in titanium, the activation energy is given by the difference between the ground state and the well height, in contrast to the case of hydrogen diffusion in niobium where the activation energy is less than this value.