The impact of carbon nanotubes diameter on their thermal conductivity - Non-equilibrium molecular dynamics approach

In the current paper the influence of diameter of finite-length zig-zag single-walled carbon nanotube (SWNT) on its thermal conductivity at room temperature in ballistic regime was described. The fourteen types of SWNT with various chirality from (7,0) to (20,0) and with constant length (213 nm) were investigated. To calculate the thermal conductivity the non-equilibrium molecular dynamics technique was implemented in commercially available software for molecular modelling.