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- Title
Radial Corrugations of Multi-Walled Carbon Nanotubes Driven by Inter-Wall Nonbonding Interactions.
- Authors
Huang, Xu; Liang, Wentao; Zhang, Sulin
- Abstract
We perform large-scale quasi-continuum simulations to determine the stable cross-sectional configurations of free-standing multi-walled carbon nanotubes (MWCNTs). We show that at an inter-wall spacing larger than the equilibrium distance set by the inter-wall van der Waals (vdW) interactions, the initial circular cross-sections of the MWCNTs are transformed into symmetric polygonal shapes or asymmetric water-drop-like shapes. Our simulations also show that removing several innermost walls causes even more drastic cross-sectional polygonization of the MWCNTs. The predicted cross-sectional configurations agree with prior experimental observations. We attribute the radial corrugations to the compressive stresses induced by the excessive inter-wall vdW energy release of the MWCNTs. The stable cross-sectional configurations provide fundamental guidance to the design of single MWCNT-based devices and shed lights on the mechanical control of electrical properties.
- Subjects
CARBON nanotubes; CONTINUUM mechanics; VAN der Waals forces; SIMULATION methods &; models; CROSS-sectional method; PHASE equilibrium; SYMMETRY (Physics); COMPRESSIBILITY; STRAINS &; stresses (Mechanics)
- Publication
Nanoscale Research Letters, 2011, Vol 6, Issue 1, p1
- ISSN
1931-7573
- Publication type
Article
- DOI
10.1007/s11671-010-9801-0