TY - JOUR
T1 - Novel neon-hydrate of cubic ice structure
AU - Hakim, Lukman
AU - Koga, Kenichiro
AU - Tanaka, Hideki
N1 - Funding Information:
This work is supported by grant-in-aid and the Next Generation Super Computing Project, Nanoscience Program, MEXT, Japan and also Okayama Foundation for Science and Technology. The authors are grateful to Dr. H. Itoh for providing the ice II structure.
PY - 2010/5/1
Y1 - 2010/5/1
N2 - 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.
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.
KW - Cubic ice
KW - Monte Carlo simulation
KW - Neon
KW - Water
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U2 - 10.1016/j.physa.2009.12.021
DO - 10.1016/j.physa.2009.12.021
M3 - Article
AN - SCOPUS:76349089163
SN - 0378-4371
VL - 389
SP - 1834
EP - 1838
JO - Physica A: Statistical Mechanics and its Applications
JF - Physica A: Statistical Mechanics and its Applications
IS - 9
ER -