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

Research output: Contribution to journalArticle

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
Publication statusPublished - Dec 25 2014

Fingerprint

Ice
Hydrogen
ice
Thermodynamic stability
thermodynamics
hydrogen
Phase equilibria
Phase diagrams
voids
simulation
phase diagrams
Molecules
molecules
Temperature
temperature

Keywords

  • Filled ice
  • Hydrogen
  • Statistical mechanics
  • Thermodynamic stability

ASJC Scopus subject areas

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

Cite this

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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.",
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AU - Yagasaki, Takuma

AU - Matsumoto, Masakazu

AU - Tanaka, Hideki

PY - 2014/12/25

Y1 - 2014/12/25

N2 - 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.

AB - 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.

KW - Filled ice

KW - Hydrogen

KW - Statistical mechanics

KW - Thermodynamic stability

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