Numerical algorithms for discrete dislocation dynamics simulations were investigated for the purpose of permitting strain-hardening simulations of single crystals, using parallel computing. The investigated algorithms included the O(N) calculation of forces, the equations of motion, time integration, adaptive mesh refinement, the treatment of dislocation core reactions and the dynamic distribution of data. A simulation which integrated all of these algorithms by using a parallel dislocation simulator code was performed in order to understand their behaviour in concert and to evaluate the overall numerical performance of dislocation dynamics simulations and their ability to model the accumulation of plastic strain.

Enabling Strain Hardening Simulations with Dislocation Dynamics. A.Arsenlis, W.Cai, M.Tang, M.Rhee, T.Oppelstrup, G.Hommes, T.G.Pierce, V.V.Bulatov: Modelling and Simulation in Materials Science and Engineering, 2007, 15[6], 553-95