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Knowledge of the deformation mechanisms of (Mg,Fe)(2)SiO4 olivine is important for the understanding of flow and seismic anisotropy in the Earth's upper mantle. We report here a numerical modelling at the atomic scale of dislocation structures and slip system properties in Mg2SiO4 forsterite. Our study focuses on screw dislocations of [100] and [001] Burgers vectors. Computations are performed using the so-called THB1 empirical potential set for Mg2SiO4. Results of dislocation core structures highlight the primary importance of the (010) plane for [100] slip dislocations. For [001] dislocations, we confirm the occurrence of a stable narrow core that evolves into transient planar configurations to glide in (100) and (010). Such configurations suggest a locking-unlocking mechanism

Dislocation modelling in Mg2SiO4forsterite: an atomic-scale study based on the THB1 potential

Dislocation modelling in Mg₂SiO₄forsterite: an atomic-scale study based on the THB1 potential