Computer simulation was used to study the early stages of evolution towards thermal equilibrium of a Σ = 5 (210)[001] tilt axis grain boundary which intersected an initially flat (100) free surface. The calculations were based upon a phenomenological n-body potential which satisfactorily reproduced the static and dynamic properties of Cu. The details of the elementary diffusion mechanisms which operated in the neighbourhood of the grain-boundary/surface intersection were analyzed. In particular, it was noted that atoms which were located close to the intersection between the free surface and the grain boundary exhibited an increased mobility.

Grain Boundary Intersecting a Free Surface - Structural Evolution Towards Equilibrium. C.S.Becquart, V.Pontikis: Materials Science Forum, 1999, 294-296, 625-8