DYNAMICAL COMPUTER-SIMULATION OF THE EVOLUTION OF A ONE-DIMENSIONAL DISLOCATION PILEUP

The dynamical evolution of a one-dimensional dislocation pileup is numerically studied in this paper. By extending particle methods of computational statistical mechanics, criteria for accurate numerical simulation of the pileup evolution are established. A combination of explicit integration of the equations of motion and dislocation freezing after 40 position oscillations gives a maximum error of 5 percent in the trajectory of the leading dislocation. Explicit integration preserves spatially oscillatory behavior and is shown to give accurate results. The evolution of the dislocation distribution function shows small density wave formation during the compression phase of the pileup.