This paper presents a Monte Carlo simulation scheme to study the phonon transport and thermal conductivity of nanocomposites. Special attention has been paid to the implementation of periodic boundary condition in Monte Carlo simulation. The scheme is applied to study the thermal conductivity of silicon germanium (Si-Ge) nanocomposites, which are of great interest for high efficiency thermoelectric material development. The Monte Carlo simulation was first validated by successfully reproducing the results of (two dimensional) nanowire composites using the deterministic solution of the phonon Boltzmann transport equation and the experimental thermal conductivity of bulk germanium, and then the validated simulation method was used to study (three dimensional) nanoparticle composites, where Si nanoparticles are embedded in Ge host. The size effects of phonon transport in nanoparticle composites were studied and the results show that the thermal conductivity of nanoparticle composites can be lower than alloy value. It was found that randomly distributed nanopaticles in nanocomposites rendered the thermal conductivity values close to that of periodic aligned patterns.
- Heat Transfer Division and Electronic and Photonic Packaging Division
Monte Carlo Simulation of the Thermal Conductivity and Phonon Transport in Nanocomposites
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Jeng, M, Yang, R, Song, D, & Chen, G. "Monte Carlo Simulation of the Thermal Conductivity and Phonon Transport in Nanocomposites." Proceedings of the ASME 2005 Pacific Rim Technical Conference and Exhibition on Integration and Packaging of MEMS, NEMS, and Electronic Systems collocated with the ASME 2005 Heat Transfer Summer Conference. Advances in Electronic Packaging, Parts A, B, and C. San Francisco, California, USA. July 17–22, 2005. pp. 2207-2215. ASME. https://doi.org/10.1115/IPACK2005-73494
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