Animated sequence of snapshots from a mesoscopic simulation of the formation of a continuous networks of bundles of carbon nanotubes

Animated GIF Image

the system has dimensions of 500 nm × 500 nm × 20 nm and consists of 1500 (10,10) 200 nm long CNTs, density of the film is 0.2 g/cm3
color of CNTs corresponds to the local inter-tube interaction energy, from high energy of individual nanotubes (red) to low energy of nanotubes inside bundles (blue).

Fast-forward view of the animation: 5 times faster; Enlarged view of the animation: 805×805 pixels (16 Mb); AVI format: avi movie (40 Mb)

This animation shows a spontaneous self-assembly of individual carbon nanotubes into continuous networks of bundles with partial hexagonal ordering of the nanotubes in the bundles. The initial sample is composed of layers of straight randomly dispersed individual CNTs. The bending buckling of CNTs is an important factor responsible for the stability of the network structures formed by defect-free CNTs. The structures produced in the simulations are similar to the structures of carbon nanotube films and buckypaper observed in experiments.

W. M. Jacobs, D. A. Nicholson, H. Zemer, A. N. Volkov, and L. V. Zhigilei, Acoustic energy dissipation and thermalization in carbon nanotubes: Atomistic modeling and mesoscopic description, Phys. Rev. B 86, 165414, 2012.
Full Text: PDF (6.4 MB), doi:10.1103/PhysRevB.86.165414

A. N. Volkov and L. V. Zhigilei, Heat conduction in carbon nanotube materials: Strong effect of intrinsic thermal conductivity of carbon nanotubes, Appl. Phys. Lett. 101, 043113, 2012.
Full Text: PDF (1.32 MB), doi:10.1063/1.4737903

A. N. Volkov, T. Shiga, D. Nicholson, J. Shiomi, and L. V. Zhigilei, Effect of bending buckling of carbon nanotubes on thermal conductivity of carbon nanotube materials, J. Appl. Phys. 111, 053501, 2012.
Full Text: PDF (4.71 MB), doi:10.1063/1.3687943

A. N. Volkov and L. V. Zhigilei, Mesoscopic interaction potential for carbon nanotubes of arbitrary length and orientation, J. Phys. Chem. C 114, 5513-5531, 2010.
Full Text: PDF (8 MB) and Supporting Information (116 kB)

A. N. Volkov and L. V. Zhigilei, Structural stability of carbon nanotube films: The role of bending buckling, ACS Nano 4, 6187-6195, 2010.
Full Text: PDF (6.0 MB)

A. N. Volkov and L. V. Zhigilei, Scaling laws and mesoscopic modeling of thermal conductivity in carbon nanotube materials, Phys. Rev. Lett. 104, 215902, 2010.
Full Text: PDF (1.5 MB) and Supporting Information (48 kB)

L. V. Zhigilei, C. Wei, and D. Srivastava, Mesoscopic model for dynamic simulations of carbon nanotubes, Phys. Rev. B 71, 165417, 2005.
Full Text: PDF (951 kB)

This material is based upon work supported by the National Science Foundation under Grant CBET-1033919.
Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation.

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