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

✍ Scribed by Taku Ohara; Toru Watanabe

Publisher: John Wiley and Sons
Year: 2000
Tongue: English
Weight: 228 KB
Volume: 29
Category: Article
ISSN: 1099-2871
DOI: 10.1002/(sici)1523-1496(200005)29:3<218::aid-htj6>3.0.co;2-6

No coin nor oath required. For personal study only.

✦ Synopsis

A molecular dynamics simulation has been performed for a two-dimensional LennardJones (12-6) fluid. A 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 responses to temperature and density are compared with those of a hydrogen bond in water.

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