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Effects of vacancies on interwall spacings of multi-walled carbon nanotubes
Authors:Ming-du Ma  Jefferson Zhe Liu  Li-feng Wang  Lu-ming Shen and Quan-shui Zheng
Institution:(1) Department of Physics, National Technical University of Athens, GR-15780 Athens, Greece;(2) Department of Physics and Astronomy, Vanderbilt University, 37235 Nashville, TN, USA;(3) Department of Electrical Engineering and Computer Science, Vanderbilt University, 37235 Nashville, TN, USA;(4) Oak Ridge National Laboratory, 37831 Oak Ridge, TN, USA
Abstract:We use molecular dynamics (MD) simulations to study the effects of vacancies on tube diameters and interwall spacings of multi-walled carbon nanotubes (MWCNTs). Two types of vacancies, double vacancy and three dangling-bond (3DB) single vacancy, are identified to have opposite effects on the tube size change, which explains the inconsistency of the experimentally measured interwall spacings of MWCNTs after electron beam irradiation. A theoretical model to quantitatively predict the shrunk structures of the irradiated MWCNTs is further developed. We also discuss the fabrications of prestressed MWCNTs, in which reduced interwall spacings are desired to enhance the overall elastic modulus and strength.
Keywords:Multi-walled carbon nanotubes (MWCNTs)  Noise carbon nanotubes  Electron beam irradiation  Defects
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