DOI: 10.1063/1.2927255. A plastic phase of water from computer simulation

A plastic phase of water from computer simulation

10.1063/1.2927255

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We report a member of ices called plastic or rotator phase, in which individual water molecules make facile rotations as in liquid state but are held tightly in an ordered structure. Molecular dynamics simulations of three classical models of water show that a plastic ice phase appears at a temperature when ice VII is heated or liquid water is cooled at high pressures above several gigapascals. A large amount of latent heat is absorbed when ice VII is transformed to the rotator phase at 590K and 10GPa, which is a typical characteristic of the plastic transitions for nearly spherical molecules. In addition to the spontaneous formation of plastic phase in the simulations, its existence is supported by robustness of plastic phase for hypothetical water with varying degrees of Coulombic interactions.

Bibliography

Takii, Y., Koga, K., & Tanaka, H. (2008). A plastic phase of water from computer simulation. The Journal of Chemical Physics, 128(20).

Authors 3

Yoshio Takii (first)
Kenichiro Koga (additional)
Hideki Tanaka (additional)

References 31 Referenced 63

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Dates

Type	When
Created	17 years, 3 months ago (May 23, 2008, 6:37 p.m.)
Deposited	2 years, 1 month ago (Aug. 5, 2023, 5:31 a.m.)
Indexed	1 month ago (Aug. 6, 2025, 8:59 a.m.)
Issued	17 years, 3 months ago (May 23, 2008)
Published	17 years, 3 months ago (May 23, 2008)
Published Online	17 years, 3 months ago (May 23, 2008)
Published Print	17 years, 3 months ago (May 28, 2008)

Funders 0

None

BibTeX

@article{Takii_2008, title={A plastic phase of water from computer simulation}, volume={128}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2927255}, DOI={10.1063/1.2927255}, number={20}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Takii, Yoshio and Koga, Kenichiro and Tanaka, Hideki}, year={2008}, month=may }

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