Liquid-solid and solid-solid phase transition of monolayer water : High-density rhombic monolayer ice

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Detail(s)

Original languageEnglish
Article number184507
Journal / PublicationJournal of Chemical Physics
Volume140
Issue number18
Publication statusPublished - 7 May 2014
Externally publishedYes

Abstract

Liquid-solid and solid-solid phase transitions of a monolayer water confined between two parallel hydrophobic surfaces are studied by molecular dynamics simulations. The solid phase considered is the high-density rhombic monolayer ice. Based on the computed free energy surface, it is found that at a certain width of the slit nanopore, the monolayer water exhibits not only a high freezing point but also a low energy barrier to crystallization. Moreover, through analyzing the oxygen-hydrogen-oxygen angle distribution and oxygen-hydrogen radial distribution, the high-density monolayer ice is classified as either a flat ice or a puckered ice. The transition between a flat ice and a puckered ice reflects a trade-off between the water-wall interactions and the electrostatic interactions among water molecules. © 2014 AIP Publishing LLC.

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Citation Format(s)

Liquid-solid and solid-solid phase transition of monolayer water: High-density rhombic monolayer ice. / Kaneko, Toshihiro; Bai, Jaeil; Yasuoka, Kenji et al.
In: Journal of Chemical Physics, Vol. 140, No. 18, 184507, 07.05.2014.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review