**MOLECULAR DYNAMICS SIMULATION OF THE THERMAL RESISTANCE OF CARBON
NANOTUBE - SUBSTRATE INTERFACES**

DJ Rogers and JM Qu and M Yao, IPACK 2009: PROCEEDINGS OF THE ASME INTERPACK CONFERENCE 2009, VOL 2, 55-61 (2010).

The interfacial thermal resistance (ITR) between a carbon nanotube (CNT) and adjoining carbon, silicon, or copper substrate is investigated through non-equilibrium molecular dynamics simulation (NEMD). The theoretical phonon transmission also is calculated using a simplified form of the diffuse mismatch model (DMM) with direct simulation of the phonon density of states (DOS) under quasi-harmonic approximation. The results of theory and simulation are reported as a function of temperature in order to estimate the importance of anharmonicity and inelastic scattering. At 300K, the thermal conductance of CNT-substrate interfaces is similar to 1500 W/mm(2)K for diamond carbon, similar to 500 W/mm(2)K for silicon, and similar to 250 W/mm(2)K for copper.

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