Theoretical study of thermal energy transfer mechanism by electronic structure at nano interface
| Project/Area Number |
25709012
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| Research Category |
Grant-in-Aid for Young Scientists (A)
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| Allocation Type | Partial Multi-year Fund |
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| Research Field |
Thermal engineering
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| Research Institution | Hiroshima University (2016)
Kyushu University (2013-2015) |
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Principal Investigator |
Ishimoto Takayoshi 広島大学, 工学(系)研究科(研究院), 共同研究講座准教授 (50543435)
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| Project Period (FY) |
2013-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥24,050,000 (Direct Cost: ¥18,500,000、Indirect Cost: ¥5,550,000)
Fiscal Year 2016: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2015: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
Fiscal Year 2014: ¥9,880,000 (Direct Cost: ¥7,600,000、Indirect Cost: ¥2,280,000)
Fiscal Year 2013: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
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| Keywords | ナノ界面 / 電子状態 / 濡れ性 / カーボン / エネルギー伝達 / 水素結合 |
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| Outline of Final Research Achievements |
It is necessary to understand the wettability in nano scale interface by using the electronic structure theory because those phenomena are based on the change of electronic structure. To solve the wettability and thermal energy transfer mechanism in nano scale interface, program code based on the non-Born-Oppenheimer quantum theory was developed. The model structure consisted of graphene and water nano droplet was prepared. The homogeneous and inhomogeneous hydrogen bond networks and vibrational frequencies of water which relates to the thermal energy transfer were analyzed. In addition, the electronic structure calculation induced by the electric field was performed. The different hydrogen bond structures were formed by the change of interaction near graphene and water interface.
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Report
(5 results)
Research Products
(14 results)
