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论文类型：期刊论文

发表时间：2007-10-15

发表刊物：MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING

收录刊物：SCIE、EI、Scopus

卷号：467

期号：1-2

页面范围：78-88

ISSN号：0921-5093

关键字：inversion energy; molecular mechanics; carbon nanotube; energy method

摘要：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.