Thermal Conductivity of Hexagonal SiC Nanowire by Nonequilibrium Molecular Dynamics Simulations

Abstract:

Using nonequilibrium Molecular Dynamics method, thermal properties of hexagonal 4H-SiC and 6H-SiC nanowires are investigated. The quantum errors between realistic temperatures and Molecular dynamics temperatures are rectified based on Density Functional Theory. Thermal conductivities of 4H-SiC and 6H-SiC nanowires are both simulated from 50K to 800K. The scale effect on the thermal conductivity of nanowire is also investigated by varying the nanowires length from 10nm to 130nm. Results indicate, if the length of phonon mean free path is shorter than that of nanowire, phonon-surface scattering will surpass boundary scattering to contribute thermal resistances. Therefore, the thermal conductivity of 4H-SiC or 6H-SiC nanowire is mainly determined by the comparability between the length of nanowires and phonon mean free path.

• Periodical: Applied Mechanics and Materials (Volume 487)
• Pages: 102-105
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.487.102
• Online since: January 2014
• Authors: Zan Wang*, Hua Wei Guan, Ke Dong Bi
• Keywords: Molecular Dynamic (MD), Nanowire, Semiconductor, Thermal Properties

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