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  The end of ice I

Moberg, D. R., Becker, D., Dierking, C. W., Zurheide, F., Bandow, B., Buck, U., et al. (2019). The end of ice I. In Proceedings of the National Academy of Sciences of the United States of America (pp. 24413-24419). Washington, D.C.: National Academy of Sciences.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0006-68A2-E Version Permalink: https://hdl.handle.net/21.11116/0000-0007-8166-4
Genre: Conference Paper

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 Creators:
Moberg, Daniel R., Author
Becker, Daniel, Author
Dierking, Christoph W., Author
Zurheide, Florian, Author
Bandow , Bernhard1, Author
Buck, Udo, Author
Hudait, Arpa, Author
Molinero, Valeria, Author
Paesani, Francesco, Author
Zeuch, Thomas, Author
Affiliations:
1Max Planck Institute for Solar System Research, Max Planck Society, Justus-von-Liebig-Weg 3, 37077 Göttingen, DE, ou_1125546              

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 Abstract: The appearance of ice I in the smallest possible clusters and the nature of its phase coexistence with liquid water could not thus far be unraveled. The experimental and theoretical infrared spectroscopic and free-energy results of this work show the emergence of the characteristic hydrogen-bonding pattern of ice I in clusters containing only around 90 water molecules. The onset of crystallization is accompanied by an increase of surface oscillator intensity with decreasing surface-to-volume ratio, a spectral indicator of nanoscale crystallinity of water. In the size range from 90 to 150 water molecules, we observe mixtures of largely crystalline and purely amorphous clusters. Our analysis suggests that the liquid–ice I transition in clusters loses its sharp 1st-order character at the end of the crystalline-size regime and occurs over a range of temperatures through heterophasic oscillations in time, a process without analog in bulk water.

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Language(s): eng - English
 Dates: 2019
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1073/pnas.1914254116
 Degree: -

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Title: Proceedings of the National Academy of Sciences of the United States of America
  Other : Proc. Acad. Sci. USA
  Other : Proc. Acad. Sci. U.S.A.
  Other : Proceedings of the National Academy of Sciences of the USA
  Abbreviation : PNAS
Source Genre: Proceedings
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Affiliations:
Publ. Info: Washington, D.C. : National Academy of Sciences
Pages: - Volume / Issue: 116 (49) Sequence Number: - Start / End Page: 24413 - 24419 Identifier: ISSN: 0027-8424
CoNE: https://pure.mpg.de/cone/journals/resource/954925427230