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

Yun Che Wang, Qu Yuan Kuo, Chuan Chen

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

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.

Original languageEnglish
Title of host publicationISCM 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
Pages787-790
Number of pages4
EditionPART 1
DOIs
Publication statusPublished - 2010 Aug 24
Event2nd 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
Duration: 2009 Nov 302009 Dec 3

Publication series

NameAIP Conference Proceedings
NumberPART 1
Volume1233
ISSN (Print)0094-243X
ISSN (Electronic)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
CountryChina
CityHong Kong, Macau
Period09-11-3009-12-03

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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