Defects in magnesium and its alloys by atomistic simulation: Assessment of semi-empirical potentials

Dislocation and grain boundary properties of Mg and its alloys were assessed by atomistic simulations using various semi-empirical potentials. The results were compared with available experimental data and first-principles calculations. The outcomes of this work pave the way for potential selection in future large-scale modeling of small-scale plasticity in Mg and its alloys. Please find the full version of this open-access article under the ScienceDirect link below: