Comptes Rendus
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.

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.

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.

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Published online:
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

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
License: CC-BY 4.0
Copyrights: The authors retain unrestricted copyrights and publishing rights
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     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},
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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.

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