The first numerical modelling of dislocations in MgSiO3 post-perovskite at 120GPa were presented. The dislocation core structures and properties were calculated from the Peierls-Nabarro model by using the generalized stacking fault results as a starting model. The generalized stacking faults were analyzed using first-principles calculations. Dislocation properties such as planar core-spreading and Peierls stresses were determined for the slip systems: [100](010), [100](001), [100](011), [001](010), [001](110), [001](100), [010](100), [010](001), ½[110](001) and ½[110](110). The results confirmed that the MgSiO3 post-perovskite was a very anisotropic phase, with a plasticity that was dominated by dislocation glide in the (010) plane.

Peierls-Nabarro Model for Dislocations in MgSiO3 Post-Perovskite Calculated at 120GPa from First-Principles. P.Carrez, D.Ferré, P.Cordier: Philosophical Magazine, 2007, 87[22], 3229-47