Structural stability of carbon nanotube films: the role of bending buckling.

In films, mats, buckypaper, and other materials composed of carbon nanotubes (CNTs), individual CNTs are bound together by van der Waals forces and form entangled networks of bundles. Mesoscopic dynamic simulations reproduce the spontaneous self-assembly of CNTs into continuous networks of bundles and reveal that the bending buckling and the length of CNTs are the two main factors responsible for the stability of the network structures formed by defect-free CNTs. Bending buckling of CNTs reduces the bending energy of interconnections between bundles and stabilizes the interconnections by creating effective barriers for CNT sliding. The length of the nanotubes is affecting the ability of van der Waals forces of intertube interactions to counterbalance the internal straightening forces acting on curved nanotubes present in the continuous networks. The critical length for the formation of stable network structures is found to be ∼120 nm for (10,10) single-walled CNTs. In the simulations where the bending buckling is artificially switched off, the network structures are found to be unstable against disintegration into individual bundles even for micrometer-long CNTs.