EQUILIBRIUM MOLECULAR DYNAMICS STUDY OF PHONON THERMAL TRANSPORT IN NANOMATERIALS

In this work, the thermal conductivity of nanofilms, nanowires, and nanoparticles are studied using molecular dynamics simulation. It is found that their thermal conductivity depends significantly on the characteristic size until it reaches a large value. Comparison with results of the lattice Boltz...

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Bibliographic Details
Published in:Numerical heat transfer. Part B, Fundamentals Fundamentals, 2004-11, Vol.46 (5), p.429-446
Main Authors: Zhong, Zhanrong, Wang, Xinwei, Xu, Jun
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Nonelectronic thermal conduction and heat-pulse propagation in solids
thermal waves
Physics
Transport properties of condensed matter (nonelectronic)
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Summary:In this work, the thermal conductivity of nanofilms, nanowires, and nanoparticles are studied using molecular dynamics simulation. It is found that their thermal conductivity depends significantly on the characteristic size until it reaches a large value. Comparison with results of the lattice Boltzmann method reflects strong effects of surface structure, especially when the film thickness is comparable to the mean free path of phonons. Study of the phonon thermal transport in nanowires and nanoparticles reveals much stronger boundary-scattering effect on thermal transport than in nanofilms, which is attributed to the more confined phonon movements in these two- and one-dimensional nanomaterials.
ISSN:1040-7790
1521-0626
DOI:10.1080/10407790490487514