Molecular dynamics simulations were made of diffusion, in a  = 5 (310)[001] tilt grain boundary, by using 3 different potentials that were based upon the embedded-atom method. It was found that those potentials which predicted more accurate melting points also yielded activation energies that were in better agreement with experimental data.

C.L.Liu, S.J.Plimpton: Journal of Materials Research, 1995, 10[7], 1589-92