Structural and dynamical properties of nanoconfined supercooled water

Bulk water presents a large number of crystalline and amorphous ices. Hydrophobic nanoconfinement is known to affect the tendency of water to form ice and to reduce the melting temperature. However, a systematic study of the ice phases in nanoconfinement is hampered by the computational cost of simu...

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Bibliographic Details
Published inarXiv.org
Main Authors Vilanova, Oriol, Franzese, Giancarlo
Format Paper
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 14.02.2011
Subjects
Coarsening
Computer simulation
Density
Hydrophobicity
Ice formation
Low pressure
Melt temperature
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Summary:Bulk water presents a large number of crystalline and amorphous ices. Hydrophobic nanoconfinement is known to affect the tendency of water to form ice and to reduce the melting temperature. However, a systematic study of the ice phases in nanoconfinement is hampered by the computational cost of simulations at very low temperatures. Here we develop a coarse-grained model for a water monolayer in hydrophobic nanoconfinement and study the formation of ice by Mote Carlo simulations. We find two ice phases: low-density-crystal ice at low pressure and high-density hexatic ice at high pressure, an intermediate phase between liquid and high-density-crystal ice.
ISSN:2331-8422