Focus Session: Materials at High Pressure IV: Geophysical Materials and Magnetic Transitions

Presentations

• Pressure-induced phase transitions in NaMgF3 post-perovskite

  ORAL

  March 23, 2011, 8:00 AM – March 23, 2011, 8:12 AM

  Authors

  • Koichiro Umemoto

    • Department of Geophysics and Geology, University of Minnesota

  • Renata Wentzcovitch

    • MSI and CEMS, University of Minnesota

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• First-principles calculation of thermal conductivity of silicate perovskite at high pressures and high temperatures

  ORAL

  March 23, 2011, 8:12 AM – March 23, 2011, 8:24 AM

  Authors

  • Jianjun Dong

    • Auburn University

  • Xiaoli Tang

    • Department of Material Science and Applied Physics, California Institute of Technology
    • California Institute of Technology

  • Abby Kavner

    • UCLA

  • Moses Ntam

    • Auburn University

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• Identification of post-pyrite transition in SiO2 by a genetic algorithm

  ORAL

  March 23, 2011, 8:24 AM – March 23, 2011, 8:36 AM

  Authors

  • Shunqing Wu

    • Iowa state U and Xiamen U

  • Koichiro Umemoto

    • GEO, U of Minnesota

  • Kai-Ming Ho

  • Min Ji

  • Cai-Zhuang Wang

    • Ames Lab, Iowa state U

  • Renata Wentzcovitch

    • MSI and CEMS, U of Minnesota

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• Spin crossover systems in the deep mantle

  COFFEE_KLATCH · Invited

  March 23, 2011, 8:36 AM – March 23, 2011, 9:12 AM

  Authors

  • Renata Wentzcovitch

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

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• Insulator to Metal and Magnetic Transitions in FeO under High Pressure: DFT-DMFT Computations

  ORAL

  March 23, 2011, 9:12 AM – March 23, 2011, 9:24 AM

  Authors

  • R.E. Cohen

    • Geophysical Laboratory, Carnegie Institution

  • Kristjan Haule

    • Rutgers University
    • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
    • Serin Physics Laboratory, Rutgers University,Piscataway, NJ 08854, USA.
    • Department of Physics, Rutgers University

  • Gabriel Kotliar

    • Rutgers University
    • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
    • Serin Physics Laboratory, Rutgers University,Piscataway, NJ 08854, USA.
    • Department of Physics, Rutgers University

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• First-principles study of spin-state crossovers and hyperfine interactions of ferric iron in magnesium silicate perovskite

  ORAL

  March 23, 2011, 9:24 AM – March 23, 2011, 9:36 AM

  Authors

  • Han Hsu

    • University of Minnesota

  • Peter Blaha

    • TU Wien
    • TU Vienna

  • Matteo Cococcioni

    • CEMS University of Minnesota
    • University of Minnesota

  • Renata Wentzcovitch

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

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• Ab initio melting curve of Fe and Fe-S alloys at extreme pressures: implications for Earth's and exoplanets' cores

  ORAL

  March 23, 2011, 9:36 AM – March 23, 2011, 9:48 AM

  Authors

  • Johann Bouchet

    • CEA

  • Guillaume Morard

    • Institut de Min\'eralogie et de Physique des Milieux Condens\'es

  • Stephane Mazevet

    • CEA

  • Francois Guyot

    • Institut de Min\'eralogie et de Physique des Milieux Condens\'es

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• Elasticity of iron-bearing olivine polymorphs investigated by first principles

  ORAL

  March 23, 2011, 9:48 AM – March 23, 2011, 10:00 AM

  Authors

  • Maribel N\'u\~nez Valdez

    • School of Physics and Astronomy, University of Minnesota

  • Yonggang Yu

    • Virginia Tech
    • Dept. of Chemical Engineering and Material Sciences, University of Minnesota

  • Renata Wentzcovitch

    • Dept. of Chemical Engineering and Material Sciences and Minnesota Supercomputing Institute, University of Minnesota

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• Polymerization of methane in the deep Earth

  ORAL

  March 23, 2011, 10:00 AM – March 23, 2011, 10:12 AM

  Authors

  • Leonardo Spanu

    • Department of Chemistry UC Davis

  • Davide Donadio

    • Max Planck Institute for Polymer Research, Mainz, Germany
    • Max Planck Institute for Polymer Research
    • MPI for Polymer Research; Department of Chemistry UC Davis

  • Detlef Hohl

    • Shell Global Solutions Inc. Houston, TX

  • Eric Schwegler

    • LLNL
    • Lawrence Livermore National Laboratory, Livermore CA
    • Lawrence Livermore National Laboratory

  • Giulia Galli

    • University of California, Davis
    • Department of Chemistry and Department of Physics, University of California at Davis, Davis, California, USA
    • Department of Chemistry \& Department of Physics, Unversity of California, Davis
    • Department of Chemistry and Department of Physics, UC Davis
    • UC Davis
    • University of California-Davis
    • Department of Chemistry and Department of Physics, University of California, Davis
    • Univeristy of California, Davis
    • University of California Davis, Davis, CA95616
    • University of California, Davis, USA

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• Solubility and erosion of icy cores in giant planets

  ORAL

  March 23, 2011, 10:12 AM – March 23, 2011, 10:24 AM

  Authors

  • Hugh Wilson

    • University of California Berkeley
    • University of California, Berkeley

  • Burkhard Militzer

    • University of California Berkeley
    • University of California, Berkeley

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• Post-stishovite transition in AlOOH-incorporated SiO2

  ORAL

  March 23, 2011, 10:24 AM – March 23, 2011, 10:36 AM

  Authors

  • Katsuyuki Kawamura

    • Tokyo Institute of Technology

  • Koichiro Umemoto

  • Renata Wentzcovitch

    • University of Minnesota

  • Kei Hirose

    • Tokyo Institute of Technology

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• Thermodynamic properties of MgSiO$_3$ majorite and phase transitions near 660-km depth in MgSiO$_3$ and Mg$_2$SiO$_4$: a first principles study

  ORAL

  March 23, 2011, 10:36 AM – March 23, 2011, 10:48 AM

  Authors

  • Yonggang Yu

    • Virginia Tech
    • Dept. of Chemical Engineering and Material Sciences, University of Minnesota

  • Renata Wentzcovitch

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

  • Victor Vinograd

    • U. Frankfurt

  • Ross Angel

    • Virginia Tech

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• A first-principles investigation of hydrous defect and IR frequencies in forsterite: The case for Si vacancies

  ORAL

  March 23, 2011, 10:48 AM – March 23, 2011, 11:00 AM

  Authors

  • Marc Hirschmann

  • Koichiro Umemoto

  • Renata Wentzcovitch

  • David Kohlstedt

  • Anthony Withers

    • University of Minnesota

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