Deformation, crystal preferred orientations, and seismic anisotropy in the Earth's D layer

We use a forward multiscale model that couples atomistic modeling of intracrystalline plasticity mechanisms (dislocation glide twinning) in MgSiO3 post-perovskite (PPv) and periclase (MgO) at lower mantle pressures and temperatures to polycrystal plasticity simulations to predict crystal preferred orientations (CPO) development and seismic anisotropy in D. We model the CPO evolution in aggregates of 70% PPv and 30% MgO submitted to simple shear, axial shortening, and along corner-flow streamlines, which simulate changes in flow orientation similar to those expected at the transition between a downwelling and flow parallel to the core-mantle boundary (CMB) within D or between CMB-parallel flow and upwelling at the borders of the large low shear wave velocity provinces (LLSVP) in the lowermost mantle. Axial shortening results in alignment of PPv [0101 axes with the shortening direction. Simple shear produces PPv CPO with a monoclinic symmetry that rapidly rotates towards parallelism between the dominant [1001(010) slip system and the macroscopic shear. These predictions differ from MgSiO3 post-perovskite textures formed in diamond-anvil cell experiments, but agree with those obtained in simple shear and compression experiments using CalrO(3) post-perovskite. Development of CPO in PPv and MgO results in seismic anisotropy in D. For shear parallel to the CMB, at low strain, the inclination of ScS, Sdiff, and SKKS fast polarizations and delay times vary depending on the propagation direction. At moderate and high shear strains, all S-waves are polarized nearly horizontally. Downwelling flow produces Sdiff, ScS, and SKKS fast polarization directions and birefringence that vary gradually as a function of the back-azimuth from nearly parallel to inclined by up to 70 degrees to CMB and from null to similar to 5%. Change in the flow to shear parallel to the CMB results in dispersion of the CPO, weakening of the anisotropy, and strong azimuthal variation of the S-wave splitting up to 250 km from the corner. Transition from horizontal shear to upwelling also produces weakening of the CPO and complex seismic anisotropy patterns, with dominantly inclined fast ScS and SKKS polarizations, over most of the upwelling path. Models that take into account twinning in PPv explain most observations of seismic anisotropy in D, but heterogeneity of the flow at scales <1000 km is needed to comply with the seismological evidence for low apparent birefringence in D. (C) 2018 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license.