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ID 57362
フルテキストURL
著者
Matsui, Takahiro Graduate School of Natural Science and Technology, Okayama University
Yagasaki, Takuma Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
Matsumoto, Masakazu Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
Tanaka, Hideki Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
抄録
Thermodynamic and mechanical stabilities of various ultralow-density ices are examined using computer simulations to construct the phase diagram of ice under negative pressure. Some ultralow-density ices, which were predicted to be thermodynamically metastable under negative pressures on the basis of the quasi-harmonic approximation, can exist only in a narrow pressure range at very low temperatures because they are mechanically fragile due to the large distortion in the hydrogen bonding network. By contrast, relatively dense ices such as ice Ih and ice XVI withstand large negative pressure. Consequently, various ices appear one after another in the phase diagram. The phase diagram of ice under negative pressure exhibits a different complexity from that of positive pressure because of the mechanical instability.
発行日
2019-01-23
出版物タイトル
Journal of Chemical Physics
150巻
4号
出版者
American Institute of Physics
開始ページ
041102
ISSN
00219606
NCID
AA00694991
資料タイプ
学術雑誌論文
言語
English
OAI-PMH Set
岡山大学
著作権者
Copyright (2019) Author(s).
論文のバージョン
author
PubMed ID
DOI
関連URL
isVersionOf https://doi.org/10.1063/1.5083021