HEAT TRANSFER PROBLEMS RELATED WITH CARBON NANOTUBES BY MOLECULAR DYNAMICS-BASED SIMULATIONS

Several heat transfer problems related to single-walled carbon nanotubes (SWNTs) are considered using molecular dynamics (MD) simulations. The Brenner potential (Brenner, 1990) with the simplified form (Yamaguchi and Maruyama, 1998) is employed as the potential function between carbon and carbon within a nanotube. MD simulations of thermal conductivity along a nanotube, isotope effect in longitudinal thermal conductivity, and thermal boundary resistance in a junction of nanotubes are reviewed. Then, the heat transfer from an SWNT to various surrounding materials is simulated by MD simulations. Heat transfers between nanotubes in a bundle of nanotubes and between a nanotube and water are considered. The heat transfer rate can be well expressed by the thermal conductance (or thermal boundary resistance) at the boundaries. The value of thermal conductance of various systems such as nanotube-junction, SWNT bundle and water-nanotubes are compared. 1