Critical Length of Double-Walled Carbon Nanotubes Based Oscillators

摘要

The critical lengths of an oscillator based on double-walled carbon nanotubes(DWCNTs)are studied by energy minimization and molecular dynamics simulation.Van der Waals(vdW)potential energy in DWCNTs is shown to be changed periodically with the lattice matching of the inner and outer tubes by using atomistic models with energy minimization method.If the coincidence length between the inner and outer tubes is long enough,the restoring force cannot drive the DWCNT to slide over the vdW potential barrier to assure the DWCNT acts as an oscillator.The critical coincidence lengths of the oscillators are predicted by a very simple equation and then confirmed with energy minimization method for both the zigzag/zigzag system and the armchair/armchair system.The critical length of the armchair/armchair system is much larger than that of the zigzag/zigzag system.The vdW potential energy fluctuation of the armchair/armchair system is weaker than that of the zigzag/zigzag system.So it is easier to slide over the barrier for the armchair/armchair system.The critical lengths of zigzag/zigzag DWCNTbased oscillator are found increasing along with temperature,by molecular dynamics simulations.