Potential surface analysis and low temperature dynamics of water

Hideki Tanaka

doi:10.1080/08927029608024063

Potential surface analysis and low temperature dynamics of water

Hideki Tanaka

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

Collective motions in liquid water are investigated by examining potential surfaces of an assembly of water molecules in its liquid state. It is found that coarse-graining of the quenched structures and low temperature dynamics provide information on their hierarchal structures. The distribution of the potential energy minimum structures in configuration space is examined is detail and is compared with those of methanol. The strong and fragile nature of liquid water is discussed.

Original language	English
Pages (from-to)	87-97
Number of pages	11
Journal	Molecular Simulation
Volume	16
Issue number	1-3
DOIs	https://doi.org/10.1080/08927029608024063
Publication status	Published - 1996
Externally published	Yes

Keywords

Coarse-graining
Methanol
Potential surface
Quench
Water

ASJC Scopus subject areas

Chemistry(all)
Information Systems
Modelling and Simulation
Chemical Engineering(all)
Materials Science(all)
Condensed Matter Physics

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10.1080/08927029608024063

Cite this

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title = "Potential surface analysis and low temperature dynamics of water",

abstract = "Collective motions in liquid water are investigated by examining potential surfaces of an assembly of water molecules in its liquid state. It is found that coarse-graining of the quenched structures and low temperature dynamics provide information on their hierarchal structures. The distribution of the potential energy minimum structures in configuration space is examined is detail and is compared with those of methanol. The strong and fragile nature of liquid water is discussed.",

keywords = "Coarse-graining, Methanol, Potential surface, Quench, Water",

author = "Hideki Tanaka",

note = "Funding Information: The author thanks Mr. I. Okabe for providing ice 1 h structures. He is grateful to Prof. I. Ohmine for a long term cooperative work on water dynamics and to Prof. K. Nakanishi for continuous encouragement. This work is supported by Grant in Aid from the Ministry of Education and Culture, Japan. Most of calculation was",

year = "1996",

doi = "10.1080/08927029608024063",

language = "English",

volume = "16",

pages = "87--97",

journal = "Molecular Simulation",

issn = "0892-7022",

publisher = "Taylor and Francis Ltd.",

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T1 - Potential surface analysis and low temperature dynamics of water

AU - Tanaka, Hideki

N1 - Funding Information: The author thanks Mr. I. Okabe for providing ice 1 h structures. He is grateful to Prof. I. Ohmine for a long term cooperative work on water dynamics and to Prof. K. Nakanishi for continuous encouragement. This work is supported by Grant in Aid from the Ministry of Education and Culture, Japan. Most of calculation was

PY - 1996

Y1 - 1996

N2 - Collective motions in liquid water are investigated by examining potential surfaces of an assembly of water molecules in its liquid state. It is found that coarse-graining of the quenched structures and low temperature dynamics provide information on their hierarchal structures. The distribution of the potential energy minimum structures in configuration space is examined is detail and is compared with those of methanol. The strong and fragile nature of liquid water is discussed.

AB - Collective motions in liquid water are investigated by examining potential surfaces of an assembly of water molecules in its liquid state. It is found that coarse-graining of the quenched structures and low temperature dynamics provide information on their hierarchal structures. The distribution of the potential energy minimum structures in configuration space is examined is detail and is compared with those of methanol. The strong and fragile nature of liquid water is discussed.

KW - Coarse-graining

KW - Methanol

KW - Potential surface

KW - Quench

KW - Water

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EP - 97

JO - Molecular Simulation

JF - Molecular Simulation

IS - 1-3

ER -

Potential surface analysis and low temperature dynamics of water

Abstract

Keywords

ASJC Scopus subject areas

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