A Monte Carlo method for simulating dislocation microstructures in three dimensions

We present an energy-based Monte Carlo (MC) approach for modeling discrete dislocation microstructures in three dimensions. We discuss the energetics of dislocation interactions and the various discretization procedures for the dislocation loops. The choice of MC trial moves for the dislocation segments is presented and discussed. We show results from some relatively simple trial calculations, showing the convergence of the calculations to known results as well as the flexibility of the MC approach. Comparisons with other types of dislocation simulations are made, indicating the range of suitability for the present method.