Formation of hot ice caused by carbon nanobrushes

Takuma Yagasaki, Masaru Yamasaki, Masakazu Matsumoto, Hideki Tanaka

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


Confinement in nanoscaled porous materials changes properties of water significantly. We perform molecular dynamics simulations of water in a model of a nanobrush made of carbon nanotubes. Water crystallizes into a novel structure called dtc in the nanobrush when (6,6) nanotubes are located in a triangular arrangement, and there is a space that can accommodate two layers of water molecules between the tubes. The mechanism of the solidification is analogous to formation of gas hydrates: hydrophobic molecules promote crystallization when their arrangement matches ordered structures of water. This is supported by a statistical mechanical calculation, which bears resemblance to the theory on the clathrate hydrate stability.

Original languageEnglish
Article number064702
JournalJournal of Chemical Physics
Issue number6
Publication statusPublished - Aug 14 2019

ASJC Scopus subject areas

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


Dive into the research topics of 'Formation of hot ice caused by carbon nanobrushes'. Together they form a unique fingerprint.

Cite this