ID | 57358 |
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Author |
Matsumoto, Masakazu
Research Institute for Interdisciplinary Science, Okayama University
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Yagasaki, Takuma
Research Institute for Interdisciplinary Science, Okayama University
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Tanaka, Hideki
Research Institute for Interdisciplinary Science, Okayama University
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Abstract | An order parameter is proposed to classify the local structures of liquid and solid water. The order parameter, which is calculated from the O–O–O–O dihedral angles, can distinguish ice Ih, ice Ic, high density, and low density liquid water. Three coloring schemes are proposed to visualize each of the coexisting phases in a system using the order parameter on the basis of Bayesian decision theory. The schemes are applied to a molecular dynamics trajectory in which ice nucleation occurs following spontaneous liquid-liquid separation in the deeply supercooled region as a demonstration.
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Published Date | 2019-06-05
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Publication Title |
Journal of Chemical Physics
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Volume | volume150
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Issue | issue21
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Publisher | American Institute of Physics
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Start Page | 214504
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ISSN | 0021-9606
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NCID | AA00694991
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Content Type |
Journal Article
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language |
English
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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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Related Url | isVersionOf https://doi.org/10.1063/1.5096556
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License | https://creativecommons.org/licenses/by/4.0/
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