MOLECULAR DYNAMICS SIMULATION OF THE THERMAL RESISTANCE OF CARBON NANOTUBE - SUBSTRATE INTERFACES
Rogers, DJ (Rogers, Daniel J.); Qu, JM (Qu, Jianmin); Yao, M (Yao, Matthew)
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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