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


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
Issue number4
Publication statusPublished - Dec 25 2014


  • Filled ice
  • Hydrogen
  • Statistical mechanics
  • Thermodynamic stability

ASJC Scopus subject areas

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


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