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论文类型：期刊论文

发表时间：2009-07-01

发表刊物：JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

收录刊物：EI、SCIE、Scopus

卷号：6

期号：7

页面范围：1617-1621

ISSN号：1546-1955

关键字：Chiral Nanotubes; Cauchy-Born Rule; Torsion Respone

摘要：The Young's moduli, shear moduli and the radial strain induced torsion response of chiral single walled carbon nanotubes are investigated systematically using a nanoscale continuum theory based on higher order Cauchy-Born rule. The computational results indicate that the Young's moduli and shear moduli of chiral SWCNTs increase with increasing tube radius and converge to the corresponding limit values of graphite sheet. The chirality-dependence of Young's moduli and shear moduli is not significant. The size-dependent strain energy per atom relative to a graphite sheet is insensitive to tube chirality, which is consistent with the existing atomistic calculations. The radial strain induced torsion is limited to chiral single-walled carbon nanotubes and is maximum for nanotube with chiral angle of pi/12. Chirality and size dependence of the radial strain induced torsion is also analyzed in detail, respectively.