The characteristics of over-barrier hydrogen diffusion (specifically, activation energy and pre-exponential factor in the Arrhenius equation) in face-centered cubic-metals Pd, Ag and Al were calculated. It was shown that the prevailing mechanism of the over-barrier hydrogen diffusion in face-centered cubic-metals consisted of successive crossings of octahedral and tetrahedral spheres.

A Molecular Dynamics Study of Hydrogen-Atom Diffusion in FCC-Metals. Kulabukhova, N.A., Poletaev, G.M., Starostenkov, M.D., Kulagina, V.V., Potekaev, A.I.: Russian Physics Journal, 2012, 54[12], 1394-400