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.
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 con- firmed 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 po- tential 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 DWCNT- based oscillator are found increasing along with temperature, by molecular dynamics simulations.
基金
Supported in part by the National Natural Science Foundation of China(11072108)
the Foundation for the Author of National Excellent Doctoral Dissertation of China(201028)
the Program for New Century Excellent Talents in University(NCET-11-0832)
the Funding of Jiangsu Innovation Program for Graduate Education(CXZZ13-0144)
the Funding for Outstanding Doctoral Dissertation in NUAA(BCXJ13-03)
the Fundamental Research Funds for the Central Universities of China
