MOLECULAR DYNAMICS SIMULATION OF INTERFACIAL THERMAL CONDUCTANCE BETWEEN SINGLE-WALLED CARBON NANOTUBE AND SILICON
We investigate the interfacial thermal conductance between a vertically grown Single-Walled Carbon Nanotube and Silicon crystal sbustrate by reverse non-equilibrium molecular dynamics simulations. In the simulation, we use Tersoff potential combined with Lennard-Jones potential as the interaction potential. To make Muller-Plathe method be used to impose heat flux between mass-different atoms like our Single-Walled Carbon Nanotube-Silicon systems, Carlos Nieto-Draghis hypothetical elastic collision algorithm is used. From the simulations, we found that, the interfacial thermal conductance between Single-Walled Carbon Nanotube and Silicon, with covalent bonds is ten times more than that with only Van der Waals interaction and the interfacial thermal conductance increases with the increasing interfacial bonding strength, and tends to converge. We also observe the thermal rectification effect between Single-Walled Carbon Nanotube and Silicon.
Xiaoliang Zhang Dawei Tang
Institute of Engineering Thermophysics Chinese Academy of Sciences Beijing, China, 100190
国际会议
The Ninth Asian Thermophysical Properties Conference(第九届亚洲热物理性能会议 ATPC 2010)
北京
英文
1099-1103
2010-10-19（万方平台首次上网日期，不代表论文的发表时间）