Papers

Peer-reviewed
Sep, 2017

Communication: Hypothetical ultralow-density ice polymorphs

JOURNAL OF CHEMICAL PHYSICS
  • Takahiro Matsui
  • ,
  • Masanori Hirata
  • ,
  • Takuma Yagasaki
  • ,
  • Masakazu Matsumoto
  • ,
  • Hideki Tanaka

Volume
147
Number
9
First page
091101
Last page
091101
Language
English
Publishing type
Research paper (scientific journal)
DOI
10.1063/1.4994757
Publisher
AMER INST PHYSICS

More than 300 kinds of porous ice structures derived from zeolite frameworks and space fullerenes are examined using classical molecular dynamics simulations. It is found that a hypothetical zeolitic ice phase is less dense and more stable than the sparse ice structures reported by Huang et al. [Chem. Phys. Lett. 671, 186 (2017)]. In association with the zeolitic ice structure, even less dense structures, "aeroices," are proposed. It is found that aeroices are the most stable solid phases of water near the absolute zero temperature under negative pressure. (C) 2017 Author(s).

Link information
DOI
https://doi.org/10.1063/1.4994757
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000409946200001&DestApp=WOS_CPL
URL
http://orcid.org/0000-0002-6799-6813
ID information
  • DOI : 10.1063/1.4994757
  • ISSN : 0021-9606
  • eISSN : 1089-7690
  • ORCID - Put Code : 36540158
  • Web of Science ID : WOS:000409946200001

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