Molecular dynamics simulations showed that the shear deformation of Cu bi-crystals containing a symmetrical high-angle twist (001) grain boundary induced the formation of force chains in which a few atoms were pushed against each other. Short-range and relatively long-ranged atomic displacements occurred in the neighbourhood of a force chain when its size increased and decreased, respectively, promoting the migration of atoms across the grain boundary. The thickness of the layer affected by atomic diffusion processes increased approximately as the square-root of time.

Cooperative Atomic Displacements at Sheared Twist (001) Grain Boundaries. F.Delogu: Journal of Physics - Condensed Matter, 2007, 19[39], 396005 (8pp)