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ID 34140
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Author
Koga, Kenichiro ORCID Kaken ID
Abstract
Molecular dynamics simulations demonstrate that there are at least two classes of quasi-two-dimensional solid water into which liquid water confined between hydrophobic surfaces freezes spontaneously and whose hydrogen-bond networks are as fully connected as those of bulk ice. One of them is the monolayer ice and the other is the bilayer solid which takes either a crystalline or an amorphous form. Here we present the phase transformations among liquid, bilayer amorphous (or crystalline) ice, and monolayer ice phases at various thermodynamic conditions, then determine curves of melting, freezing, and solid-solid structural change on the isostress planes where temperature and intersurface distance are variable, and finally we propose a phase diagram of the confined water in the temperature-pressure-distance space.
Keywords
MOLECULAR-DYNAMICS SIMULATION
CONFINED WATER
LIQUID WATER
SOLVATION FORCES; CARBON NANOTUBES
BILAYER ICE
EQUILIBRIA
TRANSITION
WALLS
INTERFACE
Note
Digital Object Identifer:10.1063/1.1861879
Published with permission from the copyright holder. This is the institute's copy, as published in Journal of Chemical Physics, Mar 2005, Volume 122, Issue 10.
Publisher URL:http://dx.doi.org/10.1063/1.1861879
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Copyright © 2005 American Institute of Physics
Published Date
2005-03-08
Publication Title
Journal of Chemical Physics
Volume
volume122
Issue
issue10
Publisher
American Institute of Physics
Content Type
Journal Article
language
英語
Copyright Holders
American Institute of Physics
File Version
publisher
Refereed
True
DOI
PubMed ID
Web of Science KeyUT
Submission Path
physics_general/26