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Macroscopic assemblies of carbon nanotubes (CNTs) are desirable materialsbecause of the excellent CNT properties. Amongst the methods of production ofthese CNT materials, the dry-draw fabrication where CNT fibers (CNTFs) aredirectly pulled out from a CNT forest is known to provide good physicalproperties. Although it is known that vertical alignment of CNT bundles withinthe CNT forest is important, the mechanisms behind the dry-draw fabrication ofCNTFs are still not completely understood. The simplest known dry-draw modelconsists of CNT bundles laterally interacting by only van der Waals forces(vdWf). Here, by fully atomistic classical molecular dynamics simulations, weshow that the simplest dry-draw model does not produce CNTFs. We also show oneimportant condition for a pair of adjacent CNT bundles to connect themselvesunder vdWf only and discuss why it leads to the failure of the simplest model.

Fully Atomistic Molecular Dynamics Investigation of the Simplest Model of Dry-Draw Fabrication of Carbon Nanotube Fibers