Defects and dislocations in MgO: atomic scale models of impurity segregation and fast pipe diffusion†
Abstract
Dislocations are known to influence the formation and migration of point defects in crystalline materials. We use a recently developed method for the simulation of the cores of dislocations in ionic materials to study the energy associated with the formation of point defects close to the core of a ½<110>{10} edge dislocation in
- This article is part of the themed collection: Modelling of Materials