Communication: Hypothetical ultralow-density ice polymorphs

Takahiro Matsui, Masanori Hirata, Takuma Yagasaki, Masakazu Matsumoto, Hideki Tanaka

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17 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number091101
JournalJournal of Chemical Physics
Volume147
Issue number9
DOIs
Publication statusPublished - Sep 7 2017

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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