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Quantum mechanical simulations of Earth's lower mantle minerals
by Staff Writers
Matsuyama, Japan (SPX) Mar 04, 2020

Crystal structures of major mineral phases composing the Earth's deep mantle, (Mg,Fe)SiO3 bridgmanite (Brg), its high-pressure phase post-perovskite (PPv), CaSiO3 perovskite, and (Mg,Fe)O ferropericlase

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.

It is now possible to predict stability, elasticity, and transport properties of complex minerals quantitatively with uncertainties that are comparable or even smaller than those attached in experimental data.

These calculations under in situ high-pressure (P) and high-temperature (T) conditions are of particular interest, since they allow us to construct a priori mineralogical models of the deep Earth.

In the present article, we briefly review our recent accomplishments in studying high-P phase relations, elasticity, thermal conductivity and rheological properties of major lower mantle silicate and oxide minerals including (Mg,Fe)SiO3 bridgmanite, its high-pressure form post-perovskite, CaSiO3 perovskite, (Mg,Fe)O ferroplericlase, and some hydrous phases (AlOOH, MgSiO4H2, FeOOH).

Our analyses indicate that the pyrolitic composition can be used to describe the Earth's properties quite well in terms all of densities, and P and S wave velocity. Computations also suggest some new hydrous compounds which could persist down to the deepest mantle and that the post-perovskite phase boundary is the boundary not only of the mineralogy but also of the thermal conductivity.

Research paper


Related Links
Ehime University
Tectonic Science and News


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Climate change could trigger more landslides in high mountain Asia
Greenbelt MD (SPX) Feb 17, 2020
More frequent and intense rainfall events due to climate change could cause more landslides in the High Mountain Asia region of China, Tibet and Nepal, according to the first quantitative study of the link between precipitation and landslides in the region. High Mountain Asia stores more fresh water in its snow and glaciers than any place on Earth outside the poles, and more than a billion people rely on it for drinking and irrigation. The study team used satellite estimates and modeled precipitat ... read more

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