Thermal Conductivity of Diamond Nanorods:  Molecular Simulation and Scaling Relations

Thermal conductivities of diamond nanorods are estimated from molecular simulations as a function of radius, length, and degree of surface functionalization. While thermal conductivity is predicted to be lower than carbon nanotubes, their thermal properties are less influenced by surface functionali...

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Bibliographic Details
Published in:Nano letters 2006-08, Vol.6 (8), p.1827-1831
Main Authors: Padgett, Clifford W, Shenderova, Olga, Brenner, Donald W
Format: Article
Language:English
Subjects:
Computer Simulation
Condensed matter: structure, mechanical and thermal properties
Cross-disciplinary physics: materials science
rheology
Diamond - analysis
Diamond - chemistry
Exact sciences and technology
Fullerenes and related materials
diamonds, graphite
Hot Temperature
Materials science
Models, Chemical
Models, Molecular
Nanoscale materials and structures: fabrication and characterization
Nanotechnology - methods
Nanotubes
Nanotubes - analysis
Nanotubes - chemistry
Nanotubes - ultrastructure
Other topics in nanoscale materials and structures
Physical properties of thin films, nonelectronic
Physics
Specific materials
Surfaces and interfaces
thin films and whiskers (structure and nonelectronic properties)
Thermal Conductivity
Thermal stability
thermal effects
Thermodynamics
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Summary:Thermal conductivities of diamond nanorods are estimated from molecular simulations as a function of radius, length, and degree of surface functionalization. While thermal conductivity is predicted to be lower than carbon nanotubes, their thermal properties are less influenced by surface functionalization, making them prime candidates for thermal management where heat transfer is facilited by cross-links. A scaling relation based on phonon surface scattering is developed that reproduces the simulation results and experimental measurements on silicon nanowires.
ISSN:1530-6984
1530-6992
DOI:10.1021/nl060588t