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.
Skip Nav Destination
ASME/JSME 2007 Thermal Engineering Heat Transfer Summer Conference collocated with the ASME 2007 InterPACK Conference
July 8–12, 2007
Vancouver, British Columbia, Canada
Conference Sponsors:
- Heat Transfer Division
ISBN:
0-7918-4275-4
PROCEEDINGS PAPER
Molecular Dynamics Simulations of Heat Conduction in Nano-Structured Silicon
Koji Miyazaki,
Koji Miyazaki
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
Search for other works by this author on:
Yoshizumi Iida,
Yoshizumi Iida
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
Search for other works by this author on:
Daisuke Nagai,
Daisuke Nagai
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
Search for other works by this author on:
Hiroshi Tsukamoto
Hiroshi Tsukamoto
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
Search for other works by this author on:
Koji Miyazaki
Kyushu Institute of Technology, Kitakyushu, Fukuoka, Japan
Yoshizumi Iida
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:
HT2007-32752, pp. 323-328; 6 pages
Published Online:
August 24, 2009
Citation
Miyazaki, K, Iida, Y, Nagai, D, & Tsukamoto, H. "Molecular Dynamics Simulations of Heat Conduction in Nano-Structured Silicon." Proceedings of the ASME/JSME 2007 Thermal Engineering Heat Transfer Summer Conference collocated with the ASME 2007 InterPACK Conference. ASME/JSME 2007 Thermal Engineering Heat Transfer Summer Conference, Volume 2. Vancouver, British Columbia, Canada. July 8–12, 2007. pp. 323-328. ASME. https://doi.org/10.1115/HT2007-32752
Download citation file:
5
Views
Related Proceedings Papers
Related Articles
Phonon Heat Conduction in Thin Films: Impacts of Thermal Boundary Resistance and Internal Heat Generation
J. Heat Transfer (April,2001)
Thin Film Phonon Heat Conduction by the Dispersion Lattice Boltzmann Method
J. Heat Transfer (September,2008)
Related Chapters
Molecular Dynamics Simulations of the Thermal Conductivity of Bismuth Telluride Using Two-Body Interatomic Potentials
Inaugural US-EU-China Thermophysics Conference-Renewable Energy 2009 (UECTC 2009 Proceedings)
Insulating Properties of W-Doped Ga2O3 Films Grown on Si Substrate for Low-K Applications
International Conference on Advanced Computer Theory and Engineering, 4th (ICACTE 2011)
Steady Heat Conduction with Variable Heat Conductivity
Introduction to Finite Element, Boundary Element, and Meshless Methods: With Applications to Heat Transfer and Fluid Flow