Journal
PHYSICS LETTERS A
Volume 372, Issue 44, Pages 6661-6666Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2008.09.010
Keywords
Carbon nanotube; Intramolecular junction; Molecular dynamics simulation; Mechanical property
Categories
Funding
- National Natural Science Foundation of China [10525210, 10732050]
- Executive Endeavour Awards of Australia
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Intramolecular junctions (IMJs) of carbon nanotubes hold a promise of potential applications in nanoelectromechanical systems. However, their structure-property relation is still unclear. Using the revised second-generation Tersoff-Brenner potential, molecular dynamics simulations were performed to study the mechanical properties of single-walled to four-walled carbon nanotubes with IMJs under uniaxial tension. The dependence of deformation and failure behaviors of IMJs on the geometric parameters was examined. It was found that the rupture strength of a junction is close to that of its thinner carbon nanotube segment, and the rupture strain and Young's modulus show a significant dependence on its geometry. The simulations also revealed that the damage and rupture of multi-walled carbon nanotube junctions take place first in the innermost layer and then propagate consecutively to the outer layers. This study is helpful for optimal design and safety evaluation of IMJ-based nanoelectronics. (C) 2008 Elsevier B.V. All rights reserved.
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