Interactions between a buckled carbon nanotube and fullerene via molecular-dynamics simulations

Yun Che Wang, Qu Yuan Kuo, Chuan Chen

研究成果: Conference contribution

摘要

Mechanically buckled components may exhibit negative stiffness, namely negative slopes of load-displacement curves. Negative-stiffness components are unstable under load control, but may be stabilized when embedded with positive-stiffness matrix in a form of composite. Negative-stiffness composites have been shown to exhibit stiffness greater than diamond, and their viscoelastic damping can be largely increased due to the negative-stiffness inclusions. Combining the negative-stiffness effects and nano-scale systems, we studied the mechanical system of a buckled carbon nanotube being compressed laterally with a carbon fullerene with molecular-dynamics (MD) simulations to explore its high effective stiffness. The buckled nanotube was laterally compressed with a C20 fullerene. The fullerenes are attached to the buckled nanotube via the carbon-carbon bonding with the Tersoff-Brenner interatomic potential. The force exerting on the fullerene and the corresponding displacement are monitored and recorded at each time step of 1 femtosecond. The constant particle number, volume and temperature (NVT) ensemble is chosen for the MD calculations. It is found the overall spring constant of the composite system under the loading condition is about 10 N/m in the initial loading state. Further loading on the system shows the overall stiffness is negative, indicating the interaction between the positive- and negative-stiffness was dominated by the nanotube. The calculated total load reveals that it is a low energy cost process to revert a buckled nanotube to an unbuckled state after creating a local buckling.

原文English
主出版物標題ISCM II and EPMESC XII - Proc. of the 2nd Int. Symposium on Computational Mechanics and the 12th Int. Conf. on the Enhancement and Promotion of Computational Methods in Engineering and Science
頁面787-790
頁數4
版本PART 1
DOIs
出版狀態Published - 2010 八月 24
事件2nd International Symposium on Computational Mechanics, ISCM II, and the 12th International Conference on the Enhancement and Promotion of Computational Methods in Engineering and Science, EPMESC XII - Hong Kong, Macau, China
持續時間: 2009 十一月 302009 十二月 3

出版系列

名字AIP Conference Proceedings
號碼PART 1
1233
ISSN(列印)0094-243X
ISSN(電子)1551-7616

Other

Other2nd International Symposium on Computational Mechanics, ISCM II, and the 12th International Conference on the Enhancement and Promotion of Computational Methods in Engineering and Science, EPMESC XII
國家China
城市Hong Kong, Macau
期間09-11-3009-12-03

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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