Nanotech 2007 Vol. 1
Nanotech 2007 Vol. 1
Technical Proceedings of the 2007 NSTI Nanotechnology Conference and Trade Show, Volume 1

Nanoscale Modeling Chapter 6

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, Singapore

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.

Nonequilibrium molecular dynamics simulation for size effects on thermal conductivity of silicon nanostructures

ISBN: 1-4200-6182-8
Pages: 726
Hardcopy: $139.95