Molecular dynamics simulation of the thermal conductivities of Si nanowires with various roughnesses
| Autor: | Chang Chung Yang, Yi-Ray Chen, Ming Shan Jeng, Ya Wen Chou |
|---|---|
| Rok vydání: | 2011 |
| Předmět: |
Materials science
General Computer Science Mean free path Nanowire General Physics and Astronomy General Chemistry Surface finish Thermal conduction Thermal diffusivity Computational Mathematics Temperature gradient Thermal conductivity Mechanics of Materials Computational chemistry Heat transfer General Materials Science Composite material |
| Zdroj: | Computational Materials Science. 50:1932-1936 |
| ISSN: | 0927-0256 |
| DOI: | 10.1016/j.commatsci.2011.01.047 |
| Popis: | Molecular dynamics (MD) simulations were employed to study the heat transfer in a single crystalline Si nanowire with length smaller than phonon mean free path. Thermal conductivity was calculated using a non-equilibrium method that formed a temperature gradient. The effect of varying roughness sizes and direction on the thermal conductivity at room temperature was studied. It was found that the thermal conductivities were reduced as the size of the roughness increased. Furthermore, variations of the thermal conductivities were more prominent with the perpendicular axis roughness than with the parallel axis roughness. The maximum variation was approximately 63% between smooth and rough models with the same wire size. In addition, the mixed size roughness did not reduce thermal conductivity. |
| Databáze: | OpenAIRE |
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