Communication: Hypothetical ultralow-density ice polymorphs

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

    Research output: Contribution to journalArticlepeer-review

    30 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

    ASJC Scopus subject areas

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

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