Éditeur(s) : HAL CCSD Elsevier
Résumé : International audience
We use first first-principle methods and the Peierls-Nabarro model to evaluate the resistance to glide, characterized by the Peierls stress, of glide systems for end-member MgSiO3 Perovskite at mantle pressures. [010](100) is the easiest glide system in Mg-Perovskite at all pressures. Peierls stresses increase systematically with pressure for all systems except [001](010), indicating the importance of lattice friction at lower mantle pressures. The ratio of the maximum Peierls stress for each system relative to the [010](100) value defines their critical resolved shear stress (CRSS). These CRSS are used in a visco-plastic self-consistent homogenization model to predict the evolution of crystal preferred orientations (CPO) during deformation of polycrystalline Mg-Perovskite. In axial compression, [100] tends to align with the compression direction, in agreement with in situ observations in axial compression experiments. In simple shear, [010] concentrates near the shear direction and (100), although more dispersed, tends to align near the shear plane, consistent with the dominant activity of the easier [010](100) system. The calculated seismic anisotropy for a 100% Mg-Perovskite aggregate using the CPO in simple shear and the elastic constants Of MgSiO3 perovskite at lower mantle pressures and temperatures is weak (>3% for P-waves with and >2% for S-waves) and decreases with increasing temperature and pressure. P-waves show the fastest propagation parallel to the lineation and S-waves fast polarization is in the foliation at 38 GPa and normal to the lineation at 88 GPa. This weak anisotropy is consistent with global seismological observations of a nearly isotropic lower mantle. There are however two regions where strain-induced Mg-Perovskite CPO could contribute to anisotropy; a) low temperature regions in the uppermost lower mantle, where the predicted S-wave polarization anisotropy may attain 1.6% with a fast polarization parallel to the foliation, b) in high high-temperature domains in the D '' layer, where Mg-Perovskite may be the major stable phase, leading to polarization of fast S-waves normal to the lineation for propagation directions at high angle to the lineation and an apparent isotropy for all other propagation directions.
ISSN: 0012-821X

hal-00411460
https://hal.archives-ouvertes.fr/hal-00411460
DOI : 10.1016/j.epsl.2008.03.058

Éditeur(s) : HAL CCSD Elsevier
Résumé : International audience
In this study, we propose a theoretical approach to test the validity of the isomechanical analogues for post-perovskite structures. Intrinsic plastic properties are evaluated for three materials exhibiting a post-perovskite phase: MgSiO3, MgGeO3 and CaIrO3. Dislocation properties of each structure are determined using the Peierls-Nabarro model based on first-principles calculations of generalised stacking fault and the plastic properties are extended to crystal-preferred orientations using a visco-plastic self-consistent method. This study provides intrinsic parameters of plastic deformation such as dislocation structures and Peierls stresses that can be directly compared between the three materials. It appears that it is very difficult to draw any simple conclusions on polycrystalline deformation simply by comparing single crystal properties. In particular, contrasting single crystal properties of MgSiO3 and CaIrO3 lead to similar crystal-preferred orientation of the polycrystal aggregates.
ISSN: 0031-9201

hal-00420104
https://hal.archives-ouvertes.fr/hal-00420104
DOI : 10.1016/j.pepi.2008.04.003