Pull-out simulations of a capped carbon nanotube in carbon nanotube-reinforced nanocomposites
- Department of Nanomechanics, Tohoku University, Sendai 980-8579 (Japan)
- Department of Mechanical Engineering, Chiba University, Chiba 263-8522 (Japan)
- College of Mechanical and Vehicle Engineering, Hunan University, Changsha 412008 (China)
- Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hong Kong SAR (China)
- Fracture and Reliability Research Institute, Tohoku University, Sendai 980-8579 (Japan)
- Department of Mechanical Engineering, University of Houston, Houston, Texas 77004 (United States)
- Department of Aerospace Engineering, Tohoku University, Sendai 980-8579 (Japan)
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.
- OSTI ID:
- 22102349
- Journal Information:
- Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 14 Vol. 113; ISSN JAPIAU; ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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