Nano Science and Technology Institute
Nanotech 2007 Vol. 1
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.
Nonequilibrium molecular dynamics simulation for size effects on thermal conductivity of silicon nanostructuresView PDF of paper
ISBN:1-4200-6182-8
Pages:726
Hardcopy:$139.95
 
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