Heat conduction in a carbon chain

Abstract The thermal conductivity of the finite length carbon chains have been numerically simulated by the molecular dynamics method with the Tersoff–Brenner bond order potential. It is found that the thermal conductivity κ of the carbon chain is very high at room temperature and diverges as the chain size. At the same time, we find that when the bond length is smaller, the temperature gradient of the carbon chain can be set up at higher temperature.