Atomistic simulation of the dislocation interactions with the Al2Ca Laves phase in Mg–Al–Ca alloy

The mechanical properties of Mg–Al–Ca alloys are significantly affected by their Laves phases, including the Al2Ca phase. Laves phases are generally considered to be brittle and have a detrimental effect on the ductility of Mg. Recently, the Al2Ca phase was shown to undergo plastic deformation in a dilute Mg-Al-Ca alloy to increase the ductility and work hardening of the alloy. In the present study, we investigated the extent to which the deformation of Al2Ca is driven by dislocations in the Mg matrix by simulating the interactions between the basal edge dislocations and Al2Ca particles. In particular, the effects of the interparticle spacing, particle orientation, and particle size were considered. Shearing of small particles and dislocation cross-slips near large particles were observed. Both events contribute to strengthening, and accommodate to plasticity. The shear resistance of the dislocation to bypass the particles increased as the particle size increased. The critical resolved shear stress (CRSS) for activating dislocations and stacking faults was easier to reach for small Al2Ca particles owing to the higher local shear stress, which is consistent with the experimental observations. Overall, this work elucidates the driving force for Al2Ca particles in Mg–Al–Ca alloys to undergo plastic deformation.