The dislocation core misfit potential

The development of a model to extend the range of the embedded atom method (EAM) is presented. The model is founded on the premise that the dislocation core generates a distortion field within the lattice that extends well beyond the range of operation of the embedded atom method. The resulting misfit potential is based on a characteristic function that accounts for long range lattice distortion. The characteristic function was established by the fitting the coefficients to the distortion at given distances from the dislocation core. The misfit potential enabled the determination of long range dislocation interactions and was applied in the simulation of dislocation core stress fields in the body centered cubic Fe lattice. These stress profiles are reported. (C) 2014 Elsevier B.V. All rights reserved.