2007 NSTI Nanotechnology Conference and Trade Show - Nanotech 2007 - 10th Annual

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

X.J. Liu, Y.W. Yang and J.P. Yang
Nanyang Technological University, SG

thermal conductivity, nanostructure, molecular dynamics simulation

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.

Back to Program

Sessions Sunday Monday Tuesday Wednesday Thursday Authors Keywords

Nanotech 2007 Conference Program Abstract


Names, and logos of other organizations are the property of those organizations and not of NSTI.
This event is not open to the general public and NSTI reserves the right to refuse admission and participation to any individual.