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Atomistic Simulations of Nanotube Fracture
Journal article   Peer reviewed

Atomistic Simulations of Nanotube Fracture

T Belytschko, S. P Xiao, G. C Schatz and R Ruoff
Physical review. B, Condensed matter, Vol.65(23), pp.2354301-2354308
03/27/2002
DOI: 10.1103/PhysRevB.65.235430
url
https://arxiv.org/pdf/physics/0203086View
Open Access

Abstract

The fracture of carbon nanotubes is studied by atomistic simulations. The fracture behavior is found to be almost independent of the separation energy and to depend primarily on the inflection point in the interatomic potential. The rangle of fracture strians compares well with experimental results, but predicted range of fracture stresses is marketly higher than observed. Various plausible small-scale defects do not suffice to bring the failure stresses into agreement with available experimental results. As in the experiments, the fracture of carbon nanotubes is predicted to be brittle. The results show moderate dependence of fracture strength on chirality.
Physics - Atomic and Molecular Clusters

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