Molecular dynamics study on cluster structure of 2-D LJ fluid and water

Taku Ohara; Toru Watanabe

doi:10.1299/kikaib.64.3414

Molecular dynamics study on cluster structure of 2-D LJ fluid and water

Taku Ohara, Toru Watanabe

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

Abstract

A molecular dynamics simulation has been performed for the two-dimensional Lennard-Jones (12-6) fluid. Saturated liquid at low temperature, compressed liquid, and fluid at supercritical temperatures with various densities were analyzed. Number of bonds per molecule, lifetime of bonds, connectivity of molecules to form clusters, stability of clusters, and their responces to temperature and density are compared with those of hydrogen bond in water.

Original language	English
Pages (from-to)	3414-3422
Number of pages	9
Journal	Nihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B
Volume	64
Issue number	626
DOIs	https://doi.org/10.1299/kikaib.64.3414
Publication status	Published - 1998 Oct
Externally published	Yes

Keywords

2-D LJ fluid
Cluster
Hydrogen bond
Molecular dynamics
Network
Water

ASJC Scopus subject areas

Condensed Matter Physics
Mechanical Engineering

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10.1299/kikaib.64.3414

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author = "Taku Ohara and Toru Watanabe",

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AU - Watanabe, Toru

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AB - A molecular dynamics simulation has been performed for the two-dimensional Lennard-Jones (12-6) fluid. Saturated liquid at low temperature, compressed liquid, and fluid at supercritical temperatures with various densities were analyzed. Number of bonds per molecule, lifetime of bonds, connectivity of molecules to form clusters, stability of clusters, and their responces to temperature and density are compared with those of hydrogen bond in water.

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KW - Hydrogen bond

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KW - Network

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Molecular dynamics study on cluster structure of 2-D LJ fluid and water

Abstract

Keywords

ASJC Scopus subject areas

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