The core structure of screw dislocations with [001] Burgers vector inMg(2)SiO(4) olivine
Artikel i vetenskaplig tidskrift, 2021

In this study, we report atomistic calculations of the core structure of screw dislocations with [001] Burgers vector in Mg2SiO4 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.

Dislocation glide

Core structure

Crystal plasticity

Atomistic simulations



Srinivasan Mahendran

Chalmers, Fysik, Kondenserad materie- och materialteori

Philippe Carrez

Université de Lille

Patrick Cordier

Université de Lille

Institut Universitaire de France

Comptes Rendus Physique

1631-0705 (ISSN) 18781535 (eISSN)

Vol. 22 7-18


Teoretisk kemi

Kompositmaterial och -teknik

Den kondenserade materiens fysik



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