Ferroelasticity in MgSiO3 bridgmanite: Assessing the intrinsic structure and motion of ((1)over-bar10) twin walls with atomic-scale simulations

P Hirel and P Carrez and P Cordier, SCRIPTA MATERIALIA, 188, 102-106 (2020).

DOI: 10.1016/j.scriptamat.2020.07.016

Bridgmanite MgSiO3 with perovskite structure exhibits a ferroelastic behaviour via the motion of 110 twin walls. We use atomic-scale simulations to investigate the properties of ((1) over bar 10) twin walls in bridgmanite. We resolve their atomic structure and obtain the minimum energy path for their motion in a wide pressure range relevant to the Earth's lower mantle. (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd.

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