The melting of water under pressure

ORAL

Abstract

We have investigated the melting of water under high-pressure conditions with a series of first-principles molecular dynamics simulations. In particular, the two-phase approach [1] has been used to determine the melting temperature of water under pressures ranging from 10 to 50 GPa. The effect of molecular dissociation on the structural, dynamical and melting properties of water will be discussed in detail. [1] T. Ogitsu, E. Schwegler, F. Gygi and G. Galli, \textit{Phys. Rev. Lett}. 91, 175502 (2003)

*This work was performed under the auspices of the US Department of Energy by the University of California at the LLNL under contract no W-7405-Eng-48.

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Authors

  • Eric Schwegler

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab
    • Lawrence Livermore National Laboratory, Livermore, CA 94550

  • Francois Gygi

    • University of California Davis
    • UC Davis, Davis, CA 95616
    • University of California Davis, Davis, CA 95616

  • Giulia Galli

    • University of California, Davis
    • University of California, Davis and Lawrence Livermore National Laboratory
    • UC Davis and LLNL
    • Department of Chemistry, University of California, Davis
    • Lawrence Livermore National Laboratory, Livermore, CA 94550 and University of California at Davis, Davis, CA 95616