Communication: Hypothetical ultralow-density ice polymorphs

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

Research output: Contribution to journalArticle

16 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

Fingerprint

Ice
Polymorphism
ice
communication
Communication
Fullerenes
Zeolites
absolute zero
fullerenes
Molecular dynamics
solid phases
Association reactions
molecular dynamics
Water
Computer simulation
water
simulation
Temperature
temperature

ASJC Scopus subject areas

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

Cite this

Communication : Hypothetical ultralow-density ice polymorphs. / Matsui, Takahiro; Hirata, Masanori; Yagasaki, Takuma; Matsumoto, Masakazu; Tanaka, Hideki.

In: Journal of Chemical Physics, Vol. 147, No. 9, 091101, 07.09.2017.

Research output: Contribution to journalArticle

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