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Indexed by:期刊论文

Date of Publication:2007-10-15

Journal:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

Included Journals:SCIE、EI、Scopus

Volume:467

Issue:1-2

Page Number:78-88

ISSN No.:0921-5093

Key Words:inversion energy; molecular mechanics; carbon nanotube; energy method

Abstract:An analytical molecular mechanics model, in which the inversion energy is considered besides the bond stretch and bond angle variation energies, is developed for the prediction of mechanical properties of single-walled carbon nanotubes (CNTs). The closed-form expressions for the surface Young's modulus and the Poisson's ratio of achiral and chiral carbon nanotubes are obtained based on the developed model. The present results show the influence of the tube diameter and the inversion energy on the mechanical properties of carbon nanotubes is significant when the tube diameter is small. With increasing the tube diameter, the surface Young's modulus and the Poisson's ratio approach, respectively, those of a graphite sheet and the influence of the inversion energy becomes weak gradually. (c) 2007 Elsevier B.V. All rights reserved.