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 | Nanotech 2007 Vol. 1
Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1
Chapter 6: Nanoscale Modeling |
| | Nonequilibrium molecular dynamics simulation for size effects on thermal conductivity of silicon nanostructures | | Authors: | X.J. Liu, Y.W. Yang and J.P. Yang | | Affilation: | Nanyang Technological University, SG | | Pages: | 473 - 476 | | Keywords: | thermal conductivity, nanostructure, molecular dynamics simulation | | Abstract: | The thermal conductivity of silicon nanostructures was investigated using the Tersoff potential based Nonequilibrium molecular dynamics (NEMD) simulation approach. In such bond-order NEMD simulation model, the quality of the Tersoff potential for heat transport of silicon nanostructures was evaluated. The simulation results demonstrate good agreement with the results using Stillinger-Weber (SW) potential on heat transport simulation performances. Furthermore, we studied the finite-size effects on the thermal conductivity and confirmed the remarkable system size dependence of the thermal conductivity of Si nanostructures. Finally, the values of thermal conductivity and mean-free path (MFP) of the infinite bulk silicon system are extrapolated based on simulation results. | | ISBN: | 1-4200-6182-8 |
| Pages: | 726 |
| Hardcopy: | $199.99 |
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