HR: 11:05h
AN: MR22A-04 INVITED     [Abstracts]
TI: Post-perovskite Investigated by First Principles
AU: * Tsuchiya, T
EM: takut@sci.ehime-u.ac.jp
AF: Geodynamics Research Center, Ehime University, 2-5 Bunkyo-cho, Matsuyama, 790-8577 Japan
AU: Tsuchiya, J
EM: junt@sci.ehime-u.ac.jp
AF: Geodynamics Research Center, Ehime University, 2-5 Bunkyo-cho, Matsuyama, 790-8577 Japan
AU: Wentzcovitch, R M
EM: wentzcov@cems.umn.edu
AF: Department of Chemical Engineering and Materials Science, Minnesota Supercomputing Institute for Digital Technology and Advanced Computations, University of Minnesota, 421 Washington Av SE, Minneapolis, MN 55455 United States
AB: High-pressure phase transition in orthorhombic MgSiO₃ perovskite was discovered and reported in 2003-2004. Several properties suggesting importance of this phase chage in the lowermost mantle such as PT condition of the transition, Clapeyron slope, seismic velocity, etc. have been revealed by density functional investigations. Here, we summarize our theoretical studies on the postperovskite phase transition in MgSiO₃ and other related materials. We present structural, thermodynamic and thermoelastic properties of postperovskite and some recent progresses. Research supported by JSPS, NSF/ITR 0428774, VLab, Ehime U Project Fund
DE: 3620 Mineral and crystal chemistry (1042)
DE: 3900 MINERAL PHYSICS
DE: 3919 Equations of state
DE: 3924 High-pressure behavior
DE: 3939 Physical thermodynamics
SC: Mineral and Rock Physics [MR]
MN: Fall Meeting 2005