2013 Fiscal Year Final Research Report
Inter ionic interaction and dynamics in liquid and solid electrolyte by molecular dynamics simulation
| Project/Area Number |
22540337
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Condensed matter physics I
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| Research Institution | Nagaoka National College of Technology |
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Principal Investigator |
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| Co-Investigator(Renkei-kenkyūsha) |
MARUYAMA Kenji 新潟大学, 自然科学系, 准教授 (40240767)
KUSAKABE Masanobu 新潟工科大学, 工学部・環境科学科, 教授 (60278075)
ARAKI Hideaki 長岡工業高等専門学校, 物質工学科, 准教授 (40342480)
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| Project Period (FY) |
2010-04-01 – 2014-03-31
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| Keywords | 分子動力学 / シミュレーション / 多元系溶融塩 / 電解質溶液 / 超イオン導電体 / イオン伝導度 / 動的構造因子 / 電子状態 |
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| Research Abstract |
In this study, the complex super ionic conductors, the multicomponent molten salts, and the multicomponent electrolyte solutions, which would be employed in the next-generation fuel cell, are discussed from both the theory and the molecular dynamics simulation. The multicomponent molten salts are mainly discussed on the relationship between the dynamic properties, the transport phenomena, the optical properties and the structure. The electronic properties are also discussed by the ab initio calculations. For the multicomponent electrolyte solutions, the pressure dependence of the structure, the transport properties, the optical properties, and the thermal properties are also discussed by the molecular dynamics simulation.
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Research Products
(45 results)
