Journal
APPLIED MATHEMATICAL MODELLING
Volume 83, Issue -, Pages 777-800Publisher
ELSEVIER SCIENCE INC
DOI: 10.1016/j.apm.2020.03.012
Keywords
2D nano-structured materials; Carbon nanotubes; Computational modelling; Bonding potentials; Buckling and post-buckling analysis
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This paper deals with a numerical model for the buckling and post-buckling analysis of single-wall carbon nanotubes. Reasons of efficiency lead to the choice of a simple molecular statics model, wherein binary, ternary and quaternary atomic interactions are accounted for and described using Morse and cosine potential functions. The equations of the model are discussed in depth and the parameters of the potential functions are justified in the light of a comparison with ab initio results. Several case studies regarding zigzag and armchair tubes of different aspect ratios, under compression, bending and torsion, are addressed with the aim of investigating the efficacy of the model and the role of the quaternary interactions, in contexts of both global and local behaviours. (C) 2020 Elsevier Inc. All rights reserved.
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