Studies of liquid water by computer simulations. II. Static properties of a 3D model
10.1063/1.443777
Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

A 3D model for water is presented and its static properties are thoroughly studied by Monte Carlo simulations over a wide region of temperature and density. Various kinds of molecular distribution functions are derived and from their temperature and density dependences are revealed the structure of the liquid state in detail. Relevant thermodynamic quantities are estimated as functions of temperature and pressure (or density) and main features of the observed anomalous properties of liquid water are reproduced semiquantitatively. The mechanical instability is found as the limit of supercooling and ascribed to the origin of the divergent singularities observed in supercooled water.

Bibliography

Kataoka, Y., Hamada, H., Nosé, S., & Yamamoto, T. (1982). Studies of liquid water by computer simulations. II. Static properties of a 3D model. The Journal of Chemical Physics, 77(11), 5699–5709.

Authors 4
  1. Yosuke Kataoka (first)
  2. Hidetaka Hamada (additional)
  3. Shūichi Nosé (additional)
  4. Tsunenobu Yamamoto (additional)
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Dates
Type When
Created 22 years, 5 months ago (Feb. 28, 2003, 11:32 a.m.)
Deposited 1 year, 6 months ago (Feb. 9, 2024, 7:27 p.m.)
Indexed 1 month, 3 weeks ago (July 4, 2025, 8:25 a.m.)
Issued 42 years, 8 months ago (Dec. 1, 1982)
Published 42 years, 8 months ago (Dec. 1, 1982)
Published Print 42 years, 8 months ago (Dec. 1, 1982)
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