Reactive–diffusive transport of H in the porous 3-dimensional structure of co-deposited films was simulated by using a kinetic Monte Carlo method. The simulations were carried out on samples generated by a film-growth Monte Carlo computer code. It was seen that steric repulsion between the incoming hydrocarbon and the surface atoms was an important parameter which affected the structure and trap concentrations of these soft films. The initial results indicated that H diffusion through pores in the co-deposited films could be a major contributor to the high density of H in co-deposits.

Dynamic Monte Carlo Modeling of Hydrogen Isotope Diffusion in Co-Deposited Layers. A.Rai, P.N.Maya, R.Schneider, S.P.Deshpande, M.Warrier: Journal of Nuclear Materials, 2007, 363-365, 1272-6