In this work, nonequilibrium molecular dynamics is used to predict the thermal conductivity of nanoscale thin silicon films in the thickness direction. Recently developed environment-dependent interatomic potential for silicon, which offers considerable improvement over the more common Stillinger-Weber potential, is used. Silicon films of various thicknesses are modeled to establish the variation of thermal conductivity with the film thickness. The obtained relationship between the thermal conductivity and the film thickness is compared with the results of the Lattice Boltzmann method, and sound agreement is observed.
Molecular Dynamics Simulation of Thermal Conductivity of Silicon Films Using Environment-Dependent Interatomic Potential
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Wang, X, & Lawrence, C. "Molecular Dynamics Simulation of Thermal Conductivity of Silicon Films Using Environment-Dependent Interatomic Potential." Proceedings of the ASME 2004 Heat Transfer/Fluids Engineering Summer Conference. Volume 4. Charlotte, North Carolina, USA. July 11–15, 2004. pp. 619-625. ASME. https://doi.org/10.1115/HT-FED2004-56725
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