ISSN Online: 2377-424X
ISBN Print: 978-1-56700-474-8
ISBN Online: 978-1-56700-473-1
International Heat Transfer Conference 16
ENHANCED INTERFACIAL THERMAL CONDUCTANCE BETWEEN CARBON NANOTUBE AND GOLD BY MOLECULE JUNCTIONS: A MOLECULAR DYNAMICS STUDY
Sinopsis
Carbon nanotube is placed high hopes to be future heat dissipation medium due to its extremely high thermal conductivity. However, at current stage its potential is greatly limited by the poor interfacial thermal conductance in practical systems. Recent experiment showed that the interfacial conductance between carbon nanotube and metal can be much enhanced by covalently bonding them with small organic molecules. Nevertheless, the detailed mechanism is not much disclosed. This work performs classical molecular dynamics simulations with the reactive force field, ReaxFF, to model the heat transport between carbon nanotube and gold interfaces bonded by molecule junctions. The simulation predicts that the thermal conductance can be increased to 37 ~ 177 MW m-2 K-1 at various contact conditions, which matches well with the experimental value of 30 ~ 360 MW m-2K-1 [Nature communications, 5, 3082 (2014)].