We carried out molecular dynamics simulations (MD) of heat conduction in Si thin film and Si films with a nano-hole to represent the nano-structure, in order to investigate the mechanism of the thermal conductivity reduction of nano-structured materials. The Stillinger-Weber potential is used in this study. Different temperatures are applied at the both sides of boundaries of the calculation domain in the z-direction, and periodic boundary conditions are applied in the x and y directions. The calculated temperature profile of a Si thin film of 10.86nm thickness is compared to that calculated by using the phonon Boltzmann transport equation (BTE). These agreed reasonably well with each other, and the phonon mean free path of Si is estimated to be several tens of nanometers. Molecular dynamics simulation of Si at the uniform temperature of 800K is also carried out. Phonon dispersion curves are calculated by using the time-space 2D Fourier transform. The phonon modes at high frequency are not present in nano-structures of Si. We discuss the mechanism of the reduction of the thermal conductivity of nano-structured material on the atomic scale.
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2008 Second International Conference on Integration and Commercialization of Micro and Nanosystems
June 3–5, 2008
Clear Water Bay, Kowloon, Hong Kong
Conference Sponsors:
- Nanotechnology Institute
ISBN:
0-7918-4294-0
PROCEEDINGS PAPER
Molecular Dynamics Simulations of Heat Conduction in Thin Film With Nano-Holes
Koji Miyazaki
,
Koji Miyazaki
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
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Daisuke Nagai
,
Daisuke Nagai
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
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Hiroshi Tsukamoto
Hiroshi Tsukamoto
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
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Koji Miyazaki
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
Daisuke Nagai
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
Hiroshi Tsukamoto
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
Paper No:
MicroNano2008-70327, pp. 449-454; 6 pages
Published Online:
June 12, 2009
Citation
Miyazaki, K, Nagai, D, & Tsukamoto, H. "Molecular Dynamics Simulations of Heat Conduction in Thin Film With Nano-Holes." Proceedings of the 2008 Second International Conference on Integration and Commercialization of Micro and Nanosystems. 2008 Second International Conference on Integration and Commercialization of Micro and Nanosystems. Clear Water Bay, Kowloon, Hong Kong. June 3–5, 2008. pp. 449-454. ASME. https://doi.org/10.1115/MicroNano2008-70327
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