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Interaction between dislocation and vacancies in magnesium oxide: Insights from atomistic simulations and elasticity theory

Abstract : 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, is strongly attractive for vacancies, especially those of oxygen. However, the resulting pinning force on the dislocation remains weak and should not contribute to a significant hardening.
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https://hal.univ-lille.fr/hal-03255168
Contributeur : Lilloa Université de Lille <>
Soumis le : mercredi 9 juin 2021 - 12:47:20
Dernière modification le : mercredi 7 juillet 2021 - 03:42:04

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Marie Landeiro dos Reis, Philippe Carrez, Patrick Cordier. Interaction between dislocation and vacancies in magnesium oxide: Insights from atomistic simulations and elasticity theory. Physical Review Materials, American Physical Society, 2021, Physical Review Materials, 5 (6), pp.063602. ⟨10.1103/physrevmaterials.5.063602⟩. ⟨hal-03255168⟩

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