Title :

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

Author(s) :

Landeiro Dos Reis, Marie [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Carrez, Philippe [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Cordier, Patrick [Auteur]
Institut universitaire de France [IUF]
Unité Matériaux et Transformations - UMR 8207 [UMET]

Journal title :

Physical Review Materials

Abbreviated title :

Phys. Rev. Materials

Volume number :

5

Pages :

063602

Publisher :

American Physical Society (APS)

Publication date :

2021-06-04

ISSN :

2475-9953

HAL domain(s) :

Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]
Planète et Univers [physics]/Sciences de la Terre

English abstract : [en]

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 ...
Show more >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.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

European Project :

Rheology of Earth materials: closing the gap between TIMEscales in the laboratory and in the MANtle

ANR Project :

ULNE

Administrative institution(s) :

Université de Lille
CNRS
INRA
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Research team(s) :

Plasticité

Submission date :

2021-06-07T16:51:08Z
2021-06-09T10:47:09Z