The interaction of lattice dislocations with symmetrical and asymmetrical tilt grain boundaries was simulated, for various grain-boundary misorientation angles, by using the molecular dynamics method and embedded atom method potentials. An edge dislocation was placed equidistantly between a grain boundary and a free surface. Movement of the dislocation occurred during relaxation, in the absence of external stress, and was the result of competitive attractions from the grain boundary and the free surface. The evolution of the dislocation position was analyzed. An attractive force arising from the grain boundary was found. The strongest attraction was found for cases where the glide plane of the dislocation was perpendicular to the grain boundary. Similar effects were found for low and room temperatures.

Atomic-Scale Simulations of the Interaction between Dislocations and Tilt Grain Boundaries in α-Iron. D.Saraev, S.Schmauder: Physica Status Solidi B, 2004, 240[1], 68-74