Summary
Motivated by recent observations of bent, collapsed and twisted carbon nanotubes, we investigate their behavior at large deformations. These hollow molecules behave remarkably similar to their macroscopic homologs. They reversibly switch into different morphological patterns, and each shape change corresponds to an abrupt release of energy and a singularity in the stress-strain curve. These transformations, simulated using a realistic many-body potential, are accurately described by a continuum-shell model. In contrast, a response to axial tension proceeds smoothly up to a fracture threshold, beyond which a monoatomic carbon chain unravels between the tube fragments.
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Yakobson, B.I., Brabec, C.J. & Bernholc, J. Structural mechanics of carbon nanotubes: From continuum elasticity to atomistic fracture. J Computer-Aided Mater Des 3, 173–182 (1996). https://doi.org/10.1007/BF01185652
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DOI: https://doi.org/10.1007/BF01185652