2012 Fiscal Year Final Research Report
Quantum simulation of hydrous minerals, magma and water under high pressure
| Project Area | Earth Science Based on the High Pressure and Temperature Neutron Experiments |
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| Project/Area Number |
20103005
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| Research Category |
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | The Institute of Physical and Chemical Research |
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Principal Investigator |
IITAKA Toshiaki 独立行政法人理化学研究所, 戎崎計算宇宙物理研究室, 専任研究員 (60212700)
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| Co-Investigator(Kenkyū-buntansha) |
IKEDA Takashi 独立行政法人日本原子力研究開発機構, 量子ビーム物性制御・解析技術研究ユニット, 研究主幹 (60370350)
TSUCHIYA Jun 愛媛大学, 上級研究員センター, 講師 (00527608)
HOSHI Takeo 鳥取大学, 大学院・工学研究科, 准教授 (80272384)
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| Co-Investigator(Renkei-kenkyūsha) |
MIYAZAKI Tsuyoshi 独立行政法人物質・材料研究機構, 主幹研究員 (50354147)
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| Project Period (FY) |
2008 – 2012
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| Keywords | 高圧力 / 中性子散乱 / 量子シミュレーション / 地球惑星科学 / 水 / 氷 / 含水鉱物 / ナノ構造物質 |
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| Research Abstract |
By means of atomistic simulations, we have revealed some unknown behaviors of water (hydrogen) under high pressure such as new high-pressure phase of hydrous minerals, hydrogen-bonding of water molecules under high pressure and high temperature, proton conduction in high-pressure phase of ice, pressure-induced phase transition of hydrogen hydrate, high temperature superconductivity of hydrides under high pressure, failure simulation of nanopolycrystalline diamond.
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Research Products
(27 results)
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[Journal Article] High-pressure crystal structures and superconductivity of Stannane (SnH4)2010
Author(s)
G. Gao, A.R. Oganov, P. Li, Z. Li, H. Wang, T. Cui, Y. Ma, A. Bergara, A.O. Lyakhov, T. Iitaka, and G. Zou
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Journal Title
Proceedings of the National Academy of Sciences
Volume: 107
Pages: 1317
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