Abstract
We determine the interaction between an $1/2\ensuremath{\langle}110\ensuremath{\rangle}{\overline{1}10}$ 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.
Highlights
Plastic properties of crystalline materials depend on the nature of the defects present in the crystal and and more substantially on their mutual interactions [1]
The presence of different type of ions leads to a more complex variety of interactions between dislocations and charged point defects [13,14], a well-known example being the photolytic reaction in AgBr [15,16,17]
We study the interaction between vacancies and a 1/2 110 {1 ̄10} edge dislocation in magnesium oxide
Summary
Plastic properties of crystalline materials depend on the nature of the defects present in the crystal and and more substantially on their mutual interactions [1]. The interactions between point defects and dislocations are well established and known to be responsible of different mechanical behaviors. The presence of different type of ions leads to a more complex variety of interactions between dislocations and charged point defects [13,14], a well-known example being the photolytic reaction in AgBr [15,16,17]. The specificity of ionic crystals is that dislocation cores can be charged or can carry charges [13,14,22] The consequence of this electrically charged core is that an external electric field can influence the dislocation motions and the plastic deformation [23] and can increase the electrical conductivity [24]
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