Molecular dynamics simulation of carbon nanotube structural transformations under heating

Abstract

The stability of the carbon nanotube subjected to Joule's heating is investigated by means of classic molecular dynamics simulation. The systems without side heat sink and with side heat sunk were considered. The later consisted of a nanotube loosely incorporated into diamond nanocristal. The results of the molecular dynamics simulation have shown that a carbon nanotube is able to conserve its regular structure under high electric power dissipation rates (up to 10 mkW for a nanotube of the length of 4 nm). The efficiency of heat sink can be increased by means of diamond matrix.