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Molecular Simulation of the Influence of Chemical Cross-Links on the Shear Strength of Carbon Nanotube−Polymer Interfaces
Abstract
The influence of chemical cross-links between a single-walled fullerene nanotube and a polymer matrix on the matrix−nanotube shear strength has been studied using molecular dynamics simulations. A (10,10) nanotube embedded in either a crystalline or amorphous polyethylene matrix is used as a model for a nonbonded interface (in the absence of cross-links). The simulations predict that shear strengths and critical lengths required for load transfer can be enhanced and decreased, respectively, by over an order of magnitude with the formation of cross-links involving less than 1% of the nanotube carbon atoms. At this level of chemical functionalization, calculations also predict that there is a negligible change in tensile modulus for a (10,10) nanotube.
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Cites
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Cited by
Gojny, F. H., Wichmann, M. H. G., Köpke, U., Fiedler, B., & Schulte, K. (2004) · Composites Science and Technology · doi:10.1016/j.compscitech.2004.04.002 · Cited by 1,543
Gojny, F. H., Wichmann, M. H. G., Fiedler, B., Bauhofer, W., & Schulte, K. (2005) · Composites Part A: Applied Science and Manufacturing · doi:10.1016/j.compositesa.2005.02.007 · Cited by 658
Zhu, R., Pan, E., & Roy, A. K. (2007) · Materials Science and Engineering: A · doi:10.1016/j.msea.2006.10.054 · Cited by 260
Shape memory polymer/CNT composites and their microwave induced shape memory behaviors
Yu, K., Liu, Y., & Leng, J. (2014) · RSC Adv. · doi:10.1039/c3ra43258k · Cited by 151
Metadata
- Authors
- Frankland, S. J. V., Caglar, A., Brenner, D. W., & Griebel, M.
- Venue
- The Journal of Physical Chemistry B
- Publisher
- American Chemical Society (ACS)
- Published
- 2002-03-01
- Volume
- 106
- Issue
- 12
- Pages
- 3046-3048
- ISSN
- 1520-5207 (ISSN-L)
- 1520-6106
- OpenAlex
- W2045155512
- Cited by
- 635
- References
- 1
- FWCI
- 20.59
- Type
- journal article
- Language
- en
- Open access
- closed
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