A Molecular Dynamics Study on contributing factors to Heat and MassTransfer over the SAM Interface
| Project/Area Number |
23760172
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Thermal engineering
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| Research Institution | Tohoku University |
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Principal Investigator |
KIKUGAWA Gota 東北大学, 流体科学研究所, 講師 (90435644)
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| Project Period (FY) |
2011 – 2012
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| Project Status |
Completed (Fiscal Year 2012)
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| Budget Amount *help |
¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2012: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2011: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
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| Keywords | 熱工学 / ナノスケール伝熱 / 自己組織化 / 計算物理 / 分子熱流体 / 分子動力学 / SAM / 界面輸送特性 / 輸送特性 / 自己組織化単分子膜 |
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| Research Abstract |
In this study, molecular dynamics (MD) simulations of the interface between self-assembled monolayers (SAMs) on the metal surface and solvents were performed in order to investigate heat transfer characteristics at the interface. By using nonequilibrium MD (NEMD) techniques, in which a temperature gradient across the interface was imposed, the contributing factors to interfacial thermal transport properties over the substrate-SAM-solvent interface were evaluated. As a result, it was found that thermal boundary resistance at the SAM-water interface is strongly influenced by the terminal groups of SAM. The effect of adsorption structure of SAM on thermal boundary resistance was also elucidated.
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Report
(3 results)
Research Products
(13 results)
