Earth and Planetary Materials I

Presentations

• Theoretical and experimental evidence for a post-perovskite phase of MgSiO$_3$ in Earth's D$''$ layer.

  COFFEE_KLATCH · Invited

  March 21, 2005, 5:00 AM – March 21, 2005, 5:36 AM

  Authors

  • Artem R. Oganov

    • 1Laboratory of Crystallography, Department of Materials ETH Hönggerberg, HCI G 515, Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland

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• Vibrational and thermodynamic properties of MgSiO$_3$ post-perovskite

  ORAL

  March 21, 2005, 5:36 AM – March 21, 2005, 5:48 AM

  Authors

  • Jun Tsuchiya

  • Taku Tsuchiya

  • Renata Wentzcovitch

    • Department of Chemical Engineering and Materials Science and Minnesota Supercomputing Institute, Univesity of Minnesota
    • Department of Chemical Engineering and Materials Science and Minnesota Supercomputing Institute, University of Minnesota
    • University of Minnesota

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• MgSiO3 post-perovskite at D'' conditions

  ORAL

  March 21, 2005, 5:48 AM – March 21, 2005, 6:00 AM

  Authors

  • Renata Wentzcovitch

  • Taku Tsuchiya

  • Jun Tsuchiya

    • Chemical Eng and Materials Sci, Minnesota Supercomputing Institute, Univ of Minnesota

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• On the stability of perovskite and post-perovskite polymorphs of MgSiO$_3$

  ORAL

  March 21, 2005, 6:00 AM – March 21, 2005, 6:12 AM

  Authors

  • Jose Martins

    • INESC-MN, Rua Alves Redol 9, 1000-029 Lisboa, Portugal

  • Yaowen Liu

    • INESC-MN, Rua Alves Redol 9, 1000-029 Lisboa, Portugal, *Present address: Department of Physics, Tongji Univ., Shanghai ,Chaina

  • Renata Wentzcovitch

    • Department of Chemical Engineering and Materials Science and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis MN 55455

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• First principles study of liquid MgSiO$_3$ at conditions of the Earth's deep mantle

  ORAL

  March 21, 2005, 6:12 AM – March 21, 2005, 6:24 AM

  Authors

  • Jones Tsz-Kai Wan

    • Princeton University and The Hong Kong University of Science and Technology

  • Roberto Car

    • Princeton Inst. for the Science and Tech. of Materials, Princeton University, Princeton NJ 08544
    • Department of Chemistry, Princeton University
    • Department of Chemistry and Princeton Institute for the Science and Technology of Materials, Princeton University, Princeton, USA
    • Princeton University

  • Sandro Scandolo

    • The Adbus Salam International Centre for Theoretical Physics and INFM/Democritos National Simulation Center

  • Thomas S. Duffy

    • Princeton University

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• {\it Cmcm} post-perovskite: a new alumina polymorph

  ORAL

  March 21, 2005, 6:24 AM – March 21, 2005, 6:36 AM

  Authors

  • Jun Tsuchiya

  • Taku Tsuchiya

  • Renata Wentzcovitch

    • Department of Chemical Engineering and Materials Science and Minnesota Supercomputing Institute, Univesity of Minnesota
    • Department of Chemical Engineering and Materials Science and Minnesota Supercomputing Institute, University of Minnesota
    • University of Minnesota

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• Total energy and linear response computations for perovskite and post-perovskite phases in the MgSiO$_3$-FeSiO$_3$-Al$_2$O$_3$ system

  ORAL

  March 21, 2005, 6:36 AM – March 21, 2005, 6:48 AM

  Authors

  • Razvan Caracas

  • Ronald Cohen

    • Carnegie Institution of Washington
    • Geophysical Laboratory, Carnegie Institution of Washington

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• Sub-lattice melting in hydrogen-rich alloys

  ORAL

  March 21, 2005, 6:48 AM – March 21, 2005, 7:00 AM

  Authors

  • Simon Gravel

    • Cornell University

  • Neil Ashcroft

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• X-ray spectroscopy studies of liquid water

  COFFEE_KLATCH · Invited

  March 21, 2005, 7:00 AM – March 21, 2005, 7:36 AM

  Authors

  • Anders Nilsson

    • Stanford Synchrotron Radiation Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA

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• Pressure-induced Phase Transition of Confined Water from ab initio Molecular Dynamics Simulation

  ORAL

  March 21, 2005, 7:36 AM – March 21, 2005, 7:48 AM

  Authors

  • Sheng Meng

    • Department of Applied Physics, Chalmers University of Technology and Gothenburg University, SE-412 96 Gothenburg, Sweden

  • E.G. Wang

    • Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing, 100080, PR China
    • Institute of Physics, CAS, Beijing 100080, China
    • Institute of Physics, Chinese Academy of Sciences, Beijing 100080, China

  • Shiwu Gao

    • Department of Applied Physics, Chalmers University of Technology and Gothenburg University, SE-412 96 Gothenburg, Sweden

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• First principles investigation of the ice VII-VIII (order-disorder) phase boundary

  ORAL

  March 21, 2005, 7:48 AM – March 21, 2005, 8:00 AM

  Authors

  • Koichiro Umemoto

  • Renata Wentzcovitch

    • Department of Chemical Engineering and Materials Science and Minnesota Supercomputing Institute, Univesity of Minnesota
    • Department of Chemical Engineering and Materials Science and Minnesota Supercomputing Institute, University of Minnesota
    • University of Minnesota

  • Stefano de Gironcoli

  • Stefano Baroni

    • SISSA \& DEMOCRITOS National Simulation Center, Italy

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• Dissociation of planetary ices at high P,T

  ORAL

  March 21, 2005, 8:00 AM – March 21, 2005, 8:12 AM

  Authors

  • Jae-Hyun Klepeis

  • Magnus Lipp

  • Bruce Baer

    • Lawrence Livermore National Lab

  • Choong-Shik Yoo

    • Lawrence Livermore National Laboratory
    • LLNL

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