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 language | English |
|---|---|
| Article number | 091101 |
| Journal | Journal of Chemical Physics |
| Volume | 147 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - Sep 7 2017 |
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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 journal › Article
}
TY - JOUR
T1 - Communication
T2 - Hypothetical ultralow-density ice polymorphs
AU - Matsui, Takahiro
AU - Hirata, Masanori
AU - Yagasaki, Takuma
AU - Matsumoto, Masakazu
AU - Tanaka, Hideki
PY - 2017/9/7
Y1 - 2017/9/7
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=85028945706&partnerID=8YFLogxK
U2 - 10.1063/1.4994757
DO - 10.1063/1.4994757
M3 - Article
AN - SCOPUS:85028945706
VL - 147
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 9
M1 - 091101
ER -