Dislocation dynamics and crystal plasticity in the phase field crystal model

Abstract: A phase field model of a crystalline material at the mesoscale is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase field free energy and show that it obeys the stress strain relation of linear elasticity. Dislocations in a two dimensional hexagonal lattice are shown to be composite topological defects in the amplitude expansion of the phase field, with topological charges given by the Burgers vector. This allows us to introduce a formal relation between dislocation velocity and the evolution of the coarse grained envelopes of the phase field. Standard dissipative dynamics of the phase field crystal model is shown to determine the velocity of the dislocations. When the amplitude equation is valid, we derive the Peach-Koehler force on a dislocation, and compute the associated defect mobility. A numerical integration of the phase field crystal equations in two dimensions is used to compute the motion of a dislocation dipole, and good agreement is found with the theoretical predictions.