JpGU-AGU Joint Meeting 2017

Presentation information

[EE] Oral

S (Solid Earth Sciences) » S-IT Science of the Earth's Interior & Tectonophysics

[S-IT22] [EE] Interaction and Coevolution of the Core and Mantle in the Earth and Planets

Sat. May 20, 2017 10:45 AM - 12:15 PM A05 (Tokyo Bay Makuhari Hall)

convener:Taku Tsuchiya(Geodynamics Research Center, Ehime University), Hidenori Terasaki(Graduate School of Science, Osaka University), Madhusoodhan Satish-Kumar(Department of Geology, Faculty of Science, Niigata University), Tetsuo Irifune(Geodynamics Research Center, Ehime University), John Hernlund(Earth-Life Science Institute, Tokyo Institute of Technology), Eiji Ohtani(Department of Earth and Planetary Materials Science, Graduate School of Science, Tohoku University), Chairperson:Tetsuo Irifune(Geodynamics Research Center, Ehime University)

11:15 AM - 11:30 AM

[SIT22-09] Ab initio anharmonic lattice dynamics calculation for Fe-bearing lower mantle minerals

*Haruhiko Dekura1, Taku Tsuchiya1 (1.Geodynamics Research Center, Ehime University)

Keywords:Lower mantle minerals, Lattice thermal conductivity , Computer simulation , Phonon-phonon interaction , Density-functional theory

Determination of lattice thermal conductivity (κlat) of lower mantle minerals is key to understanding the dynamics of the Earth’s interior. Although it was impractical in the deep Earth pressure (P) and temperature (T) condition for a long time, recent experimental and computational developments have been extending the accessible P and T ranges. We recently succeeded in developing an ab initio technique to calculateκlat at any P and T condition based on the density-functional theory (DFT) combined with anharmonic lattice dynamics theory. The technique was then applied to major end-members of lower mantle minerals, MgSiO3 bridgmanite (Dekura,Tsuchiya,Tsuchiya,2013,PRL) and MgO periclase (Dekura,Tsuchiya,2017,under review). Next we extend our technique to more realistic Fe-bearing minerals in conjunction with the internally consistent LSDA+U technique (Wang,Tsuchiya,Hase,2015,Nature geoscience) to deal with such strongly-correlated systems. In this presentation, we introduce the current situation of our research on κlat .