2008年5月
A plastic phase of water from computer simulation
JOURNAL OF CHEMICAL PHYSICS
- ,
- ,
- 巻
- 128
- 号
- 20
- 開始ページ
- 204501
- 終了ページ
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1063/1.2927255
- 出版者・発行元
- AMER INST PHYSICS
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 590 K and 10 GPa, 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. (C) 2008 American Institute of Physics.
- リンク情報
- ID情報
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- DOI : 10.1063/1.2927255
- ISSN : 0021-9606
- Web of Science ID : WOS:000256304200027