Phase transitions in dense nitrogen and carbon dioxide liquids

ORAL

Abstract

The high-pressure phase diagrams of liquid nitrogen and carbon dioxide have been investigated using first-principles theory. Both liquids undergo rare first-order molecular-polymerization phase transitions at pressures comparable to their solid counterparts. Furthermore, both materials dissociate into metallic atomic fluids at high temperatures. The liquid regimes of their phase diagrams have been divided into several regions based on detailed analyses of changes in both structural and electronic properties for pressures and temperatures up to 200 GPa and 10,000 K, respectively. A comparison of the two liquid phase diagrams will be discussed to illustrate similarities and differences. Calculations of the shock Hugoniot are in excellent agreement with available experimental data.

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Authors

  • Brian Boates

    Lawrence Livermore National Laboratory

  • G.V. Brown

    Department of Physics at CSU, Fresno, Lawrence Livermore National Laboratory, Stanford University, Advanced Light Source, Lawrence Berkeley National Lab, Nanoelectronics Research Institute, Japan Atomic Energy Agency, University of Tokyo, Cornell University, Tokyo Institute of Technology, Suranaree University of Technology, Shandong University, Stanford Synchrotron Radiation Lightsource, UC Davis, CSU Dominguez Hills, Thomas Jefferson National Accelerator Facility, UC Berkeley, ANL, UChicago/ANL, UManitoba, Northwestern U/ANL, LLNL, UCB/LLNL, McGill U, McGill U/ANL, University of Nevada, Reno, Hitachi Global Storage Technology, Advanced Light Source, Stanford Synchrotron Radiation Laboratory, Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Materials Science and Engineering, Stanford University, Radiation Oncology, Stanford University School of Medicine, Missouri University of Science and Technology, International Institute of Physics, University of Missouri, University of Notre Dame du Lac, Department of Physics, California State University, Fresno, California, California State University Long Beach, BNL, IWF Dresden, Department of Physics, University of California, Davis, CA 95616, USA, University of California, Merced, Laboratoire Univers et Particules de Montpellier, IN2P3 (France), SLAC National Accelerator Laboratory/Stanford University/KIPAC, University of Perugia, University of Washington, CEA/Saclay, UNR, UNM, UCSD, RAL, ILE, MIT, LANL, LLE, NRL, SLAC National Accelerator Laboratory, Technische Universitaet Berlin, Max Born Institut, Hiroshima University, Western Michigan University, MPIK