The high temperature (T > 0.5Tm) structure of the previously studied face-centered cubic (310)[001] Σ = 5 grain boundary was reinvestigated in order to determine the nature of the diffusion mechanism. The obtained results confirmed an earlier conclusion that the grain boundary remained crystalline, but highly disordered, up to the melting point. In addition, the diffusion mechanisms in the face-centered cubic (210)[001] Σ = 5 grain boundary was explored. As expected, diffusion occurred mainly via vacancy migration. The jump frequencies determined by the molecular dynamics simulation were used to evaluate the tracer correlation factor and the anisotropy of the intergranular diffusion coefficient by means of a random walk model simulation of the vacancy migration.

Relations between Intergranular Diffusion and Structure: a Molecular Dynamics Study. Guillope, M., Ciccotti, G., Pontikis, V.: Surface Science, 1984, 144[1], 67-76