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| Effects of vacancies on interwall spacings of multi-walled carbon nanotubes |
| Ming-du Ma, Jefferson Zhe Liu, Li-feng Wang, Lu-ming Shen, Quan-shui Zheng |
| Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China, Department of Mechanical and Aerospace Engineering, Monash University, Clayton, Victoria 3168, Australia, Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA, School of Civil Engineering, University of Sydney, NSW 2006, Australia |
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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.
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Received: 16 April 2010
Published: 05 October 2010
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