DOI: 10.1063/1.1580101. Bilayer ice and alternate liquid phases of confined water

Bilayer ice and alternate liquid phases of confined water

10.1063/1.1580101

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We report results from molecular dynamics simulations of the freezing and melting, at ambient temperature (T=300 K), of a bilayer of liquid water induced by either changing the distance between two confining parallel walls at constant lateral pressure or by lateral compression at constant plate separation. Both transitions are found to be first order. The system studied consisted of 1200 water molecules that were described by the TIP5P model. The in-plane symmetry of the oxygen atoms in the ice bilayer was found to be rhombic with a distorted in-registry arrangement. Above and below the stability region of the ice bilayer we observed two bilayer phases of liquid water that differ in the local ordering at the level of the second shell of nearest neighbors and in the density profile normal to the plane, yielding two liquid phases with different densities. These results suggest the intriguing possibility of a liquid–liquid transition of water, confined to a bilayer, at regions where the ice bilayer is unstable with respect to either of the liquid phases. In addition, we find that under the same conditions, water confined to 3–8 layers remains in the liquid phase (albeit stratification of the transverse density profile) with values of the lateral diffusion coefficient comparable to that of the bulk.

Bibliography

Zangi, R., & Mark, A. E. (2003). Bilayer ice and alternate liquid phases of confined water. The Journal of Chemical Physics, 119(3), 1694â1700.

Authors 2

Ronen Zangi (first)
Alan E. Mark (additional)

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Dates

Type	When
Created	22 years, 1 month ago (July 3, 2003, 6:24 p.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 10:42 a.m.)
Indexed	3 weeks, 4 days ago (July 27, 2025, 3:31 a.m.)
Issued	22 years, 1 month ago (July 15, 2003)
Published	22 years, 1 month ago (July 15, 2003)
Published Print	22 years, 1 month ago (July 15, 2003)

Funders 0

None

BibTeX

@article{Zangi_2003, title={Bilayer ice and alternate liquid phases of confined water}, volume={119}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1580101}, DOI={10.1063/1.1580101}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Zangi, Ronen and Mark, Alan E.}, year={2003}, month=jul, pages={1694–1700} }

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    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        2003,
        7,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        2003,
        7,
        15
      ]
    ]
  }
}