Focus Session: Materials in Extremes: High Pressures

Presentations

• Pressure-induced metallization and phase transitions in GeS$_2$

  ORAL

  March 19, 2013, 8:00 AM – March 19, 2013, 8:12 AM

  Authors

  • Ranga Dias

    • Department of Physics, Washington State University and Institute for Shock Physics

  • Choong-Shik Yoo

    • Department of Chemistry, Washington State University and Institute for Shock Physics

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• Density Functional Theory Investigation of Sodium Azide at High Pressure

  ORAL

  March 19, 2013, 8:12 AM – March 19, 2013, 8:24 AM

  Authors

  • Brad Steele

    • University of South Florida

  • Aaron Landerville

    • University of South Florida

  • Ivan Oleynik

    • University of South Florida

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• Simple binary mixtures of hydrogen and ammonia under extreme pressures

  ORAL

  March 19, 2013, 8:24 AM – March 19, 2013, 8:36 AM

  Authors

  • Gustav Borstad

    • Department of Physics, Washington State University and Institute for Shock Physics

  • Choong-Shik Yoo

    • Department of Chemistry, Washington State University and Institute for Shock Physics

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• First-principles simulations on chemical transformation bonding pathways of compressed graphite

  ORAL

  March 19, 2013, 8:36 AM – March 19, 2013, 8:48 AM

  Authors

  • Anguang Hu

    • Defense R\&D Canada-Suffield, Canada, Box 4000, Stn. Main Medicine Hat, Alberta, T1A 8K6 Canada

  • Fan Zhang

    • Defense R\&D Canada-Suffield, Canada, Box 4000, Stn. Main Medicine Hat, Alberta, T1A 8K6 Canada

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• Thermo-Physical Properties of Ammonium Azide under High Pressure from First-Principles

  ORAL

  March 19, 2013, 8:48 AM – March 19, 2013, 9:00 AM

  Authors

  • Aaron Landerville

    • University of South Florida

  • Brad Steele

    • University of South Florida

  • Ivan Oleynik

    • University of South Florida

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• Theory-driven discovery of an exotic CaB$_{6}$ high-pressure crystal structure phase

  ORAL

  March 19, 2013, 9:00 AM – March 19, 2013, 9:12 AM

  Authors

  • Aleksey Kolmogorov

    • Binghamton University - SUNY
    • Binghamton University, SUNY
    • Binghamton University-SUNY

  • Sheena Shah

    • University of Oxford

  • Elena Margine

    • University of Oxford

  • Annette Kleppe

    • Diamond Light Source

  • Andrew Jephcoat

    • University of Oxford

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• Modeling of the amorphous phase of poly-CO

  ORAL

  March 19, 2013, 9:12 AM – March 19, 2013, 9:24 AM

  Authors

  • I.G. Batyrev

    • US Army Research Laboratory

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• The role of anharmonicity in the ab-initio phase diagram of calcium

  ORAL

  March 19, 2013, 9:24 AM – March 19, 2013, 9:36 AM

  Authors

  • Marco Di Gennaro

    • University of Liege

  • Srijan Kumar Saha

    • University of Liege

  • Matthieu Jean Verstraete

    • University of Liege

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• Origin of Metallization of FeO at High Temperatures and Pressures from First-principles DFT-DMFT Computations

  ORAL

  March 19, 2013, 9:36 AM – March 19, 2013, 9:48 AM

  Authors

  • R.E. Cohen

    • Geophysical Lab, Carnegie Institution

  • K. Haule

    • Rutgers, The State University of New Jersey
    • Rutgers University
    • Dept. Physics, Rutgers University
    • Department of Physics and Astronomy, Rutgers University

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• Towards a Predictive First-Principles Description of High Pressure Hydrogen with Density Functional Theory

  ORAL

  March 19, 2013, 9:48 AM – March 19, 2013, 10:00 AM

  Authors

  • Miguel A. Morales

    • Lawrence Livermore National Laboratory
    • LLNL

  • Jeffrey M. McMahon

    • UIUC

  • Carlo Pierleoni

    • Univ. of L`Aquila

  • David M. Ceperley

    • University of Illinois at Urbana-Champaign, IL61801, U.S.A.
    • University of Illinois at Urbana-Champaign
    • UIUC

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• Lattice dynamics beyond the harmonic approximation: a compressive sensing approach

  ORAL

  March 19, 2013, 10:00 AM – March 19, 2013, 10:12 AM

  Authors

  • Fei Zhou

    • Materials Sciences Engineering, UCLA
    • UCLA

  • Weston Nielson

    • UCLA

  • Vidvuds Ozolins

    • Materials Sciences Engineering, UCLA
    • UCLA
    • Department of Materials Science and Engineering, UCLA
    • Department of Materials Science and Engineering, University of California, Los Angeles, California 90095-1595, USA

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• ABSTRACT WITHDRAWN

  March 19, 2013, 10:12 AM – March 19, 2013, 10:24 AM

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• Neon Hydrate at High Pressure: an in-situ Neutron Diffraction Study

  ORAL

  March 19, 2013, 10:24 AM – March 19, 2013, 10:36 AM

  Authors

  • Xiaohui Yu

    • Los Alamos Natioanl Lab

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• Neutron Scattering Study of Hydrogen in Copper

  ORAL

  March 19, 2013, 10:36 AM – March 19, 2013, 10:48 AM

  Authors

  • Alexander I. Kolesnikov

    • Oak Ridge National Laboratory

  • Vladimir E. Antonov

    • Institute of Solid State Physics RAS, Chernogolovka, Russia

  • Garrett E. Granroth

    • Oak Ridge National Laboratory
    • Quantum Condensed Matter Division, Oak Ridge National Laboratory
    • NSSD, Oak Ridge National Laboratory

  • Valery I. Kulakov

    • Institute of Solid State Physics RAS, Chernogolovka, Russia

  • Michail A. Kuzovnikov

    • Institute of Solid State Physics RAS, Chernogolovka, Russia

  • Ken C. Littrell

    • Oak Ridge National Laboratory

  • Eugene Mamontov

    • Oak Ridge National Laboratory

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