Molecular dynamics simulations of a micro-canonical ensemble were carried out in order to model diffusion in a system in which T release and diffusion depended upon the diffusion of Li. The results were presented in the form of the associated radial distribution functions, diffusion coefficients and activation energies.

J.P.Jacobs, M.A.San Miguel, L.J.Alvarez, P.B.Giral: Journal of Nuclear Materials, 1996, 232[2-3], 131-7