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A new mesoscale mechanical model, describing elastic interactions in carbonnanotubes (CNT) and other nanofilaments, is proposed. Functional form of thedeveloped model is based on enhanced vector model (EVM) that describes basictypes of bond deformations: tension, torsion, bending and shear. Calibration ofbond stiffnesses is performed by adjusting EVM parameters to reproduce bothCNT's deformation energies and shape observed in a full-atomistic simulation.The parameters obtained are compared with the ones obtained fromEuler-Bernoulli beam theory considerations. It is found that after certaincritical length of a tested CNT specimen its stiffness parameters becomelength-independent and can be used in mesoscale simulations of CNTs ofarbitrary length.

Optimization-based approach to the calibration of mesoscale mechanical models for carbon nanotube systems