Theory and Simulations of Materials at Extreme Conditions

Presentations

• Modeling and experimental studies of neat and metal-doped stishovite, coesite, and quartz under high pressure.

  ORAL

  March 6, 2020, 1:15 PM – March 6, 2020, 1:27 PM

  Presenters

  • Iskander Batyrev

    CCDC Army Research Laboratory

  Authors

  • Iskander Batyrev

    CCDC Army Research Laboratory

  • Michael C Golt

    CCDC Army Research Laboratory

  • Rosario C Sausa

    CCDC Army Research Laboratory

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• Dynamics of the High-Pressure Phase Transition in 2,4,6-triamino-1,3,5-trinitrobenzene (TATB)

  ORAL

  March 6, 2020, 1:27 PM – March 6, 2020, 1:39 PM

  Presenters

  • Brad Steele

    Lawrence Livermore Natl Lab

  Authors

  • Brad Steele

    Lawrence Livermore Natl Lab

  • Matthew Kroonblawd

    Lawrence Livermore Natl Lab

  • I-Feng W Kuo

    Lawrence Livermore Natl Lab, Lawrence Livermore National Laboratory

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• Pseudopotentials for simulations of materials at extreme conditions

  ORAL

  March 6, 2020, 1:39 PM – March 6, 2020, 1:51 PM

  Presenters

  • D Hamann

    Physics and Astronomy, Rutgers University, Piscataway, NJ and Mat-Sin Research LLC, Murray Hill, NJ

  Authors

  • D Hamann

    Physics and Astronomy, Rutgers University, Piscataway, NJ and Mat-Sin Research LLC, Murray Hill, NJ

  • John Pask

    Physics Division, Lawrence Livermore Nat. Lab., Livermore, CA, Lawrence Livermore Natl Lab

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• Chemical Potential of Nitrogen at High Pressure and High Temperature: Application to Phase Diagram Calculations of Nitrogen-Rich Compounds

  ORAL

  March 6, 2020, 1:51 PM – March 6, 2020, 2:03 PM

  Presenters

  • Hanof Alkhaldi

    University of Texas at Arlington

  Authors

  • Hanof Alkhaldi

    University of Texas at Arlington

  • Peter Kroll

    University of Texas at Arlington

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• Finite-Temperature Dynamics of Elemental Electrides Under Extreme Conditions

  ORAL

  March 6, 2020, 2:03 PM – March 6, 2020, 2:15 PM

  Presenters

  • Reetam Paul

    Laboratory for Laser Energetics, University of Rochester, NY

  Authors

  • Reetam Paul

    Laboratory for Laser Energetics, University of Rochester, NY

  • Suxing Hu

    Laboratory for Laser Energetics, University of Rochester, NY, Laboratory for Laser Energetics, University of Rochester

  • Valentin Karasiev

    Laboratory for Laser Energetics, University of Rochester, NY, Laboratory for Laser Energetics, Univ. of Rochester

  • Stanimir Bonev

    Lawrence Livermore National Laboratory, CA, Lawrence Livermore Natl Lab

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• A first-principles study on the phase stability of Mg_1-xFe_xN alloys: the unconventional rock-salt occurrence under high pressure

  ORAL

  March 6, 2020, 2:15 PM – March 6, 2020, 2:27 PM

  Presenters

  • Maribel Nunez Valdez

    Goethe University Frankfurt, Goethe University Frankfurt am Main & Helmholtz-Centre Potsdam (GFZ)

  Authors

  • Maribel Nunez Valdez

    Goethe University Frankfurt, Goethe University Frankfurt am Main & Helmholtz-Centre Potsdam (GFZ)

  • Johannes Wagner

    Helmholtz-Zentrum Potsdam (GFZ), Helmholtz-Centre Potsdam (GFZ)

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• Local Hydrodynamic Pressure for Strongly Inhomogeneous States

  ORAL

  March 6, 2020, 2:27 PM – March 6, 2020, 2:39 PM

  Presenters

  • James Dufty

    Physics, University of Florida

  Authors

  • James Dufty

    Physics, University of Florida

  • Jeffrey Wrighton

    Physics, University of Florida

  • Kai Luo

    Geophysical Laboratory, Carnegie Institution for Science, Geophysical Laboratory, Carnegie Institution of Washington, Geophysical Laboratory, Carnegie Institution of Science

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• 32 Ages of the universe in just 2 weeks: High-speed Shock-waves in DFT

  ORAL

  March 6, 2020, 2:39 PM – March 6, 2020, 2:51 PM

  Presenters

  • Jacob Wilkins

    Oxford e-Research Centre, University of Oxford

  Authors

  • Jacob Wilkins

    Oxford e-Research Centre, University of Oxford

  • Matt I. J. Probert

    Department of Physics, University of York, University of York

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• Study of compaction, preheating and strength in shock compressed porous silica

  ORAL

  March 6, 2020, 2:51 PM – March 6, 2020, 3:03 PM

  Presenters

  • Jason Koski

    Sandia National Laboratories

  Authors

  • Jason Koski

    Sandia National Laboratories

  • Keith A Jones

    Sandia National Laboratories

  • Tracy John Vogler

    Sandia National Laboratories

  • J Matthew D Lane

    Sandia National Laboratories

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• Accelerating the characterization of energy landscapes with swarm intelligence and machine learning

  ORAL

  March 6, 2020, 3:03 PM – March 6, 2020, 3:15 PM

  Presenters

  • Li Zhu

    Carnegie Inst of Washington

  Authors

  • Li Zhu

    Carnegie Inst of Washington

  • Ronald Cohen

    Carnegie Inst of Washington, Geophysical Laboratory, Carnegie Institution of Science

  • Timothy A Strobel

    Carnegie Inst of Washington

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• Anomalies in thermal properties of ferromagnesite (Mg_1−<i>x</i>Fe_<i>x</i>)CO₃ across the spin transition

  ORAL

  March 6, 2020, 3:15 PM – March 6, 2020, 3:27 PM

  Presenters

  • Han Hsu

    National Central University, Taiwan

  Authors

  • Han Hsu

    National Central University, Taiwan

  • Christian Crisostomo

    National Central University, Taiwan

  • Wenzhong Wang

    University of Science and Technology of China

  • Zhongqing Wu

    University of Science and Technology of China

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• Shock compression of dry Air

  ORAL

  March 6, 2020, 3:27 PM – March 6, 2020, 3:39 PM

  Presenters

  • Subhadeep Pal

    Indian Institute of Technology Kharagpur

  Authors

  • Nilanjan Mitra

    Indian Institute of Technology Kharagpur

  • Subhadeep Pal

    Indian Institute of Technology Kharagpur

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