Journal article
Studies of Size Effects on Carbon Nanotubes' Mechanical Properties by Using Different Potential Functions
Fullerenes, nanotubes, and carbon nanostructures, Vol.14(1), pp.9-16
06/01/2006
DOI: 10.1080/15363830500538425
Abstract
We use molecular mechanics calculations to study size effects on mechanical properties of carbon nanotubes. Both single-walled nanotubes (SWNTs) and multi-walled nanotubes (MWNTs) are considered. The size-dependent Young's modulus decreases with the increasing tube diameter for a reactive empirical bond order (REBO) potential function. However, we observe a contrary trend if we use other potential functions such as the modified Morse potential function and the universal force field (UFF). Such confliction is only obtained for small tubes within cutoff diameters (3 nm for REBO and 1.5 nm for others). In light of these predictions, Young's moduli of large nanotubes concur with experimental results for all the potential functions. No matter which potential function is used, the Poisson's ratio decreases with the increasing tube diameter. We also study the chirality effects on mechanical properties of SWNTs. We find that the Young's moduli are insensitive to the chirality of nanotubes. The chirality effect on the Poisson's ratio is significant for the UFF but not the REBO or modified Morse potential functions.
Details
- Title: Subtitle
- Studies of Size Effects on Carbon Nanotubes' Mechanical Properties by Using Different Potential Functions
- Creators
- Shaoping Xiao - Department of Mechanical and Industrial Engineering and Center for Computer-Aided Design , The University of IowaWenyi Hou - Department of Mechanical and Industrial Engineering and Center for Computer-Aided Design , The University of Iowa
- Resource Type
- Journal article
- Publication Details
- Fullerenes, nanotubes, and carbon nanostructures, Vol.14(1), pp.9-16
- Publisher
- Taylor & Francis Group
- DOI
- 10.1080/15363830500538425
- ISSN
- 1536-383X
- eISSN
- 1536-4046
- Language
- English
- Date published
- 06/01/2006
- Academic Unit
- Mechanical Engineering
- Record Identifier
- 9984064219102771
Metrics
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