Novel neon-hydrate of cubic ice structure

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The stability of ice I cubic (ice Ic) whose voids are occupied by neon particles is investigated using a hybrid type of isobaric grand-canonical Monte Carlo simulation. We show that the resulting neon hydrate is stable under high pressure and temperature where ice Ic alone is unstable, suggesting the existence of a novel neon hydrate of ice Ic. We also show through chemical potential calculation that the neon hydrate of the ice Ic structure is more favorable than the neon hydrate of the ice II structure, whose existence was proven from experiment under high pressure condition.

Original languageEnglish
Pages (from-to)1834-1838
Number of pages5
JournalPhysica A: Statistical Mechanics and its Applications
Volume389
Issue number9
DOIs
Publication statusPublished - May 1 2010

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neon
hydrates
ice
Chemical Potential
Voids
voids
Monte Carlo Simulation
Unstable
Experiment
simulation

Keywords

  • Cubic ice
  • Monte Carlo simulation
  • Neon
  • Water

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Statistics and Probability

Cite this

Novel neon-hydrate of cubic ice structure. / Hakim, Lukman; Koga, Kenichiro; Tanaka, Hideki.

In: Physica A: Statistical Mechanics and its Applications, Vol. 389, No. 9, 01.05.2010, p. 1834-1838.

Research output: Contribution to journalArticle

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AB - The stability of ice I cubic (ice Ic) whose voids are occupied by neon particles is investigated using a hybrid type of isobaric grand-canonical Monte Carlo simulation. We show that the resulting neon hydrate is stable under high pressure and temperature where ice Ic alone is unstable, suggesting the existence of a novel neon hydrate of ice Ic. We also show through chemical potential calculation that the neon hydrate of the ice Ic structure is more favorable than the neon hydrate of the ice II structure, whose existence was proven from experiment under high pressure condition.

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