2012 Fiscal Year Final Research Report
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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| 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 |
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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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Research Products
(7 results)
