Molecular dynamics simulations of electron and ion beam irradiation of multiwalled carbon nanotubes: The effects on failure by inner tube sliding

Sharon K. Pregler and Susan B. Sinnott
Phys. Rev. B 73, 224106 – Published 13 June 2006

Abstract

Irradiation of nanotube structures with electron and ion beams has been used to produce functionalized nanotubes and fundamentally new structures, including junctions. Here, we build on previous studies to investigate the low-energy electron and ion (Ar and CF3) beam irradiation of triple-walled carbon nanotubes that consist entirely of either chiral or armchair tubes. Effective incident energies of 50eV/ion and 50keV/electron are considered. The approach is classical molecular dynamic simulations using reactive empirical bond-order potentials and the primary knock-on atom approach to model the effects of electron irradiation. The results indicate that these various irradiation processes produce local damage to the nanotubes that includes crosslinking, that the degree of damage depends to some degree on the chirality of the nanotubes, and that the radial distribution of crosslinks depends significantly on the irradiating particle. Importantly, the effect of these crosslinks, and their radial distribution along the circumference of the nanotube, on the tendency of multiwalled nanotubes to fail by the sword-in-sheath mechanism is examined.

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  • Received 12 December 2005

DOI:https://doi.org/10.1103/PhysRevB.73.224106

©2006 American Physical Society

Authors & Affiliations

Sharon K. Pregler and Susan B. Sinnott*

  • University of Florida, Department of Materials Science and Engineering, Gainesville, Florida 32611-6400, USA

  • *Corresponding author. Email address: sinnott@mse.ufl.edu

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Issue

Vol. 73, Iss. 22 — 1 June 2006

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