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Atomistic Simulations of Uniaxial Tensile Behaviors of Single-walled Carbon Nanotubes
Journal article   Peer reviewed

Atomistic Simulations of Uniaxial Tensile Behaviors of Single-walled Carbon Nanotubes

P. Liu, Y.W. Zhang, H.P. Lee and C. Lu
Molecular simulation, Vol.30(8), pp.543-547
15/07/2004

Abstract

Atomistic simulation Carbon nanotube Mechanical properties Nanotube
Atomistic simulations, using the second-generation reactive empirical bond order (REBO) potential, are performed to investigate the uniaxial tensile behaviors of single-walled carbon nanotubes (SWCNTs). It is found that the effect of the nanotube diameters on the elastic modulus, the tensile strength and the stress vs. strain relation of SWCNTs is small yet noticeable. However, the effect of the degree of helicity is significant.

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