Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/5891
Title: Pull-out simulations of a capped carbon nanotube in carbon nanotube-reinforced nanocomposites
Authors: Li, Y
Liu, S
Hu, N
Han, X
Zhou, L 
Ning, H
Wu, L
L
Yamamoto, G
Chang, C
Hashida, T
Atobe, S
Fukunaga, H
Keywords: Aluminium compounds
Carbon nanotubes
Composite material interfaces
Filled polymers
Nanocomposites
Particle reinforced composites
Shear strength
Issue Date: 14-Apr-2013
Publisher: American Institute of Physics
Source: Journal of applied physics, 14 Apr. 2013, v. 113, no. 14, 144304, p. 1-7 How to cite?
Journal: Journal of applied physics 
Abstract: Systematic atomic simulations based on molecular mechanics were conducted to investigate the pull-out behavior of a capped carbon nanotube (CNT) in CNT-reinforced nanocomposites. Two common cases were studied: the pull-out of a complete CNT from a polymer matrix in a CNT/polymer nanocomposite and the pull-out of the broken outer walls of a CNT from the intact inner walls (i.e., the sword-in-sheath mode) in a CNT/alumina nanocomposite. By analyzing the obtained relationship between the energy increment (i.e., the difference in the potential energy between two consecutive pull-out steps) and the pull-out displacement, a set of simple empirical formulas based on the nanotube diameter was developed to predict the corresponding pull-out force. The predictions from these formulas are quite consistent with the experimental results. Moreover, the much higher pull-out force for a capped CNT than that of the corresponding open-ended CNT implies a significant contribution from the CNT cap to the interfacial properties of the CNT-reinforced nanocomposites. This finding provides a valuable insight for designing nanocomposites with desirable mechanical properties.
URI: http://hdl.handle.net/10397/5891
ISSN: 0021-8979
EISSN: 1089-7550
DOI: 10.1063/1.4800110
Rights: © 2013 AIP Publishing LLC. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Y. Li et al., J. Appl. Phys. 113, 144304 (2013) and may be found at http://link.aip.org/link/?jap/113/144304
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