Cascade annealing simulations of bcc iron using object kinetic Monte Carlo

► We simulate cascade annealing using OKMC based on an extensive MD database. ► Interstitial cluster diffusion mechanism has the most significant impact on results. ► In-cascade recombination between the vacancy and interstitial defects is predicted. ► The model compares diffusion data obtained from ab initio and empirical potentials. ► The two approaches yield similar evolution with slightly different time constants.