The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine

Srinivasan Mahendran; Philippe Carrez; Patrick Cordier

doi:10.5802/crphys.27

The core structure of screw dislocations with [001] Burgers vector in Mg

_{2}

SiO

_{4}

olivine
[Structure de coeur de la dislocation vis de vecteur de Burgers [001] dans l’olivine Mg

_{2}

SiO

_{4}

]

Srinivasan Mahendran ^1,² ; Philippe Carrez ¹ ; Patrick Cordier ^1,³

¹ Univ. Lille, CNRS, INRAE, Centrale Lille, UMR 8207 – UMET – Unité Matériaux et Transformations, F-59000 Lille, France
² Department of Physics, Chalmers University of Technology, Gothenburg 412 96, Sweden
³ Institut Universitaire de France, 1 rue Descartes, F-75005 Paris, France

Comptes Rendus. Physique, Volume 22 (2021) no. S3, pp. 7-18.

Résumé
Abstract

Dans cette étude, nous présentons les résultats de calculs atomiques de la structure de coeur de la dislocation vis de vecteur de Burgers [001] dans l’olivine (Mg,Fe) $_{2}$ SiO $_{4}$ . Nos simulations, reposant sur l’utilisation du potentiel semi-empirique THB1, montrent que la configuration stable de la dislocation vis correspond à une structure de coeur dissociée dans les plans ${110}$ . A basse température, le glissement des dislocations de vecteur de Burgers [001] dans les plans ${110}$ de l’olivine est donc favorisé.

In this study, we report atomistic calculations of the core structure of screw dislocations with [001] Burgers vector in Mg $_{2}$ SiO $_{4}$ olivine. Computations based on the THB1 empirical potential set for olivine show that the stable core configurations of the screw dislocations correspond to a dissociation in ${110}$ planes involving collinear partial dislocations. As a consequence, glide appears to be favorable in ${110}$ planes at low temperature. This study also highlights the difference between dislocation glide mechanism in ${110}$ versus $(010)$ or $(100)$ for which glide is expected to occur through a locking–unlocking mechanism.

Première publication : 2021-02-10
Publié le : 2021-12-16

DOI : 10.5802/crphys.27

Keywords: Atomistic simulations, Crystal plasticity, Dislocation glide, Core structure, Olivine
Mot clés : Simulations à l’échelle atomique, Plasticité, Dislocation, Structure de coeur, Glissement, Olivine

Affiliations des auteurs :

Srinivasan Mahendran ^{1, 2} ; Philippe Carrez ¹ ; Patrick Cordier ^{1, 3}

Licence :

CC-BY 4.0

Droits d'auteur : Les auteurs conservent leurs droits

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     author = {Srinivasan Mahendran and Philippe Carrez and Patrick Cordier},
     title = {The core structure of screw dislocations with [001] {Burgers} vector in {Mg}$_2${SiO}$_4$ olivine},
     journal = {Comptes Rendus. Physique},
     pages = {7--18},
     publisher = {Acad\'emie des sciences, Paris},
     volume = {22},
     number = {S3},
     year = {2021},
     doi = {10.5802/crphys.27},
     language = {en},
}

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Srinivasan Mahendran; Philippe Carrez; Patrick Cordier. The core structure of screw dislocations with [001] Burgers vector in Mg$_2$SiO$_4$ olivine. Comptes Rendus. Physique, Volume 22 (2021) no. S3, pp. 7-18. doi : 10.5802/crphys.27. https://comptes-rendus.academie-sciences.fr/physique/articles/10.5802/crphys.27/

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