Monte Carlo simulations were made of hydrogen diffusion in C15 Laves phase compounds. The incoherent quasi-elastic neutron scattering function, Sinc(Q,ω), was evaluated for the case of non-interacting particles diffusing on g-sites and was compared to the analytical model proposed by Rowe et al. A good level of agreement, at low Q, was obtained when the tracer correlation factor was accounted for. A value of 0.00238Å2 per Monte Carlo cycle was obtained for the tracer diffusion coefficient. A brief discussion of the extension of this simple model to include metal hydrogen interactions was also given.

Monte Carlo Simulation of Hydrogen Diffusion in C15 Laves Phase Intermetallic Compounds. D.J.Bull, D.K.Ross: Journal of Alloys and Compounds, 1999, 293, 296-9