A model for simulating the dynamic behavior of edge dislocations in metals at the atomic level was presented. The model extends an earlier approach based upon an array of edge dislocations periodic in the Burgers vector direction and allows the external action (either shear strain or resolved shear stress), crystal energy, plastic displacement and dislocation position and velocity to be determined unambiguously. Two versions of the model for either static or dynamic conditions, i.e. zero or non-zero temperature, were described. The model was tested for elastic response of a perfect crystal and the atomic properties of a ½<111> edge dislocation in a model of body-centered cubic Fe. Several examples of dislocation glide behavior and dislocation–obstacle interactions at zero and non-zero temperature were presented.

An Atomic-Level Model for Studying the Dynamics of Edge Dislocations in Metals. Y.N.Osetsky, D.J.Bacon: Modelling and Simulation in Materials Science and Technology, 2003, 11[4], 427-46