Abstract
In this paper, the effect on the interfacial thermal resistance between a composite system composed of a carbon nanotube or diamond nanorod and an octane matrix by the functionalization of those nanostructures with alkyl chains has been examined using molecular dynamics simulations. The effect of functionalization was studied by varying the percent functionalization from 0.00% to 2.00% using octyl as the functional group. As the percent functionalization increased, both systems showed a decrease in the interfacial thermal resistance. At 1.00% functionalization, as the alkyl chain length was increased from one to eight atoms, the interfacial thermal resistance of the carbon nanotube systems decreased to a minimum, while in the diamond nanorod system the interfacial thermal resistance remained constant.
Original language | English |
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Article number | 1450014 |
Journal | International Journal of Computational Materials Science and Engineering |
Volume | 3 |
Issue number | 3 |
DOIs | |
State | Published - Sep 1 2014 |
Keywords
- Interfacial thermal resistance
- carbon nanotube
- diamond nanorod
- molecular modeling
- thermal conductivity