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Interaction between dislocation and vacancies in magnesium oxide: Insights from atomistic simulations and elasticity theory
2021
PHYSICAL REVIEW MATERIALS
We determine the interaction between an 1 /2 110 { 110} edge dislocation and charged vacancies in MgO, using both molecular static simulations and the elasticity theory developed in the framework of the elastic dipole approach. In this study, the confrontation of these two methods highlights the specific role of the dislocation core structure on the interaction. We thus show that in MgO, the edge dislocation core, within a region across the glide planes that expands over several Burgers vector,
doi:10.1103/physrevmaterials.5.063602
fatcat:y3p5cppwvfb5votaj2fiasd2ru