Structure and thermodynamic stability of high-pressure filled ices containing hydrogen

Lukman Hakim, Takuma Yagasaki, Masakazu Matsumoto, Hideki Tanaka

    Research output: Contribution to journalArticlepeer-review

    Abstract

    Statistical mechanical and simulation studies have been reviewed for the filled ice Ic and ice II containing hydrogen molecules. The occupancy of hydrogen inside the voids of ice Ic and ice II is examined using a hybrid grandcanonical Monte Carlo simulation in wide ranges of pressure and temperature. A simple theoretical model provides a global phase diagram of two-component system in which the phase equilibria among various phases can be predicted.

    Original languageEnglish
    Pages (from-to)265-269
    Number of pages5
    JournalReview of High Pressure Science and Technology/Koatsuryoku No Kagaku To Gijutsu
    Volume24
    Issue number4
    DOIs
    Publication statusPublished - Dec 25 2014

    Keywords

    • Filled ice
    • Hydrogen
    • Statistical mechanics
    • Thermodynamic stability

    ASJC Scopus subject areas

    • Chemistry(all)
    • Materials Science(all)
    • Condensed Matter Physics

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