Ab Initio Mineralogical Model of the Earth's Lower Mantle

Recent progress in theoretical mineral physics based on the ab initio quantum mechanical computation method has been dramatic in conjunction with the rapid advancement of computer technologies. This chapter briefly reviews recent progress in studying high-pressure elasticity of lower mantle minerals including silicates, oxides, and some hydrous phases, and then summarizes current knowledge on the aggregate elasticity of representative lithology closely related to the mantle and slab materials. The analyses presented in the chapter indicate that the pyrolitic composition can describe the Earth's properties quite well in terms of density, P and S wave velocity, and bulk sound velocity. The overall agreements are better than those expected in more silicic compositions. Computations also suggest that cumulated basaltic piles are unsuitable to explain the LLSVP.