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ID 57358
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Matsumoto, Masakazu Research Institute for Interdisciplinary Science, Okayama University ORCID Kaken ID researchmap
Yagasaki, Takuma Research Institute for Interdisciplinary Science, Okayama University ORCID Kaken ID researchmap
Tanaka, Hideki Research Institute for Interdisciplinary Science, Okayama University ORCID Kaken ID publons researchmap
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.
Published Date
2019-06-05
Publication Title
Journal of Chemical Physics
Volume
volume150
Issue
issue21
Publisher
American Institute of Physics
Start Page
214504
ISSN
0021-9606
NCID
AA00694991
Content Type
Journal Article
language
英語
OAI-PMH Set
岡山大学
Copyright Holders
Copyright 2019 Author(s).
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DOI
Related Url
isVersionOf https://doi.org/10.1063/1.5096556
License
https://creativecommons.org/licenses/by/4.0/