Molecular Dynamics Evaluation of Thermal Transport in Naked and Oxide-Coated Silicon Nanowires
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概要
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The thermal conductivities ($\kappa$) of Si nanowires (SiNWs) with naked and sub-nm-oxidized surfaces have been evaluated by nonequilibrium classical molecular dynamics simulations. For the naked SiNWs, the dependence of $\kappa$ on the cross-sectional area qualitatively agreed with previous Monte Carlo simulations and experiments. It was confirmed that $\kappa$ was not sensitive to cross-sectional shape or crystalline orientation. The $\kappa$ of the SiOx-coated SiNWs was decreased compared with that of the naked SiNWs when both types of NW had the same crosssection. However, the $\kappa$ corresponding to the core part of Si (including the interfacial layer between the Si core and surface SiOx) was equivalent to the $\kappa$ of the naked SiNWs. The presence of a surface oxide does not modulate the internal thermal conduction of the SiNWs.
- 2010-09-25
著者
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Eriguchi Koji
Department Of Aeronautics And Astronautics Graduate School Of Engineering Kyoto University
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Ohta Hiroaki
Department Of Mechanical Engineering Tokai University
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Ono Kouichi
Department Of Aeronautical Engineering Faculty Of Engineering Kyoto University
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Saegusa Takumi
Department of Aeronautics and Astronautics, Graduate School of Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, Japan
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Ohta Hiroaki
Department of Aeronautics and Astronautics, Graduate School of Engineering, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, Japan
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