MC simulation of desorption-recombination reaction and grain growth of nano-structured disproportionated NdFeB alloy

► Introducing a MC model based on the mechanism of grain growth during DR process. ► Proposing a novel application in preparing NdFeB magnetic material by newly-proposed mechanically-assisted HDDR technique. ► Elucidating the effect of processing parameters on kinetics of grain growth behavior. ► Evaluation of optimal processing condition by extension treatment.