Twisting Carbon Nanotube Ropes with the Mesoscopic Distinct Element Method: Geometry, Packing, and Nanomechanics

The geometry and internal packing of twisted ropes composed of carbon nanotubes (CNTs) are considered, and a numerical solution in the context of the mesoscopic distinct element method (MDEM) is proposed. Compared to the state of the art, MDEM accounts in a computationally tractable manner for both the deformation of the fiber and the distributed van der Waals cohesive energy between fibers. These features enable us to investigate the torsional response in a new regime where the twisted rope develops packing rearrangements and aspect-ratio-dependent geometric nonlinearities. MDEM emerges as a robust simulation method for studying twisted agglomerates comprising semiflexible nanofibers.