Inclusion of neon inside ice Ic and its influence to the ice structure

Lukman Hakim, Masakazu Matsumoto, Kenichiro Koga, Hideki Tanaka

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


A hybrid type of grand-canonical Monte Carlo simulation is carried out to investigate the accommodation of guest particle, i.e. neon, inside ice I c and its influence to the ice structure. The simulation is extended from low pressure and temperature where the pure ice Ic structure is stable. As the compression proceeds, ice Ic structure become unstable due to the high pressure, and then at higher pressure it is shown that a large amount of neon can be kept inside the ice giving a stable neon hydrate of ice Ic structure with the neon-to-water molar ratio close to unity. The key factor in stabilizing ice structure by guest particle is clarified by carrying out simulation with different magnitudes of Lennard-Jones (LJ) parameter ∈wg which mainly determine the depth of LJ potential well of interaction between guest and host particles.

Original languageEnglish
Article numberSA018
Journaljournal of the physical society of japan
Issue numberSUPPL. A
Publication statusPublished - Sept 2012


  • Hydrate
  • Monte Carlo simulation
  • Neon
  • Water

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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