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ID 57358
フルテキストURL
著者
Matsumoto, Masakazu Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
Yagasaki, Takuma Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
Tanaka, Hideki Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
抄録
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.
発行日
2019-06-05
出版物タイトル
Journal of Chemical Physics
150巻
21号
出版者
American Institute of Physics
開始ページ
214504
ISSN
0021-9606
NCID
AA00694991
資料タイプ
学術雑誌論文
言語
English
OAI-PMH Set
岡山大学
著作権者
Copyright 2019 Author(s).
論文のバージョン
author
PubMed ID
DOI
関連URL
isVersionOf https://doi.org/10.1063/1.5096556
ライセンス
https://creativecommons.org/licenses/by/4.0/