ID | 57360 |
FullText URL | |
Author |
Yamasaki, Masaru
Graduate School of Natural Science and Technology, Okayama University
Matsumoto, Masakazu
Research Institute for Interdisciplinary Science, Okayama University
ORCID
Kakenhi
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Abstract | Confinement in nanoscaled porous materials changes properties of water significantly. We perform molecular dynamics simulations of water in a model of a nanobrush made of carbon nanotubes. Water crystallizes into a novel structure called dtc in the nanobrush when (6,6) nanotubes are located in a triangular arrangement, and there is a space that can accommodate two layers of water molecules between the tubes. The mechanism of the solidification is analogous to formation of gas hydrates: hydrophobic molecules promote crystallization when their arrangement matches ordered structures of water. This is supported by a statistical mechanical calculation, which bears resemblance to the theory on the clathrate hydrate stability.
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Published Date | 2019-08-08
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Publication Title |
The Journal of Chemical Physics
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Volume | volume151
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Publisher | American Institute of Physics
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Start Page | 064702
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ISSN | 00219606
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NCID | AA00694991
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Content Type |
Journal Article
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language |
英語
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OAI-PMH Set |
岡山大学
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Copyright Holders | Copyright (2019) Author(s)
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File Version | author
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DOI | |
Related Url | isVersionOf https://doi.org/10.1063/1.5111843
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License | https://creativecommons.org/licenses/by/4.0/
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