Efficiency of the vacancy pipe diffusion along an edge dislocation in MgO

This study focuses on the mechanisms of pipe diffusion and kinetic point defect along dislocation line in MgO. We developed a numerical approach, based atomic scale calculations use elasticity theory, to determine migration energies defects. The is then evaluated according on-lattice atomistic Monte Carlo algorithm informed by simulations. show that edge MgO behaves as strong sink for vacancies which, combined with lower energy at core region, strongly enhances vicinity respect bulk material. At low intermediate temperatures, results an increase diffusivity several order magnitude. Accounting more precisely effect may therefore be key reconcile experimentally measured scattering