Simulations of the elastic response of single-walled carbon nanotubes

Using the Tersoff-Brenner potential we have performed molecular dynamics simulations of nanotubes under axial strain, analyzing both compression and stretching forces. These large-scale simulations were carried out on a MasPar massively parallel computer. The elastic response is investigated and exp...

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Bibliographic Details
Published in:Computational materials science 1998-02, Vol.10 (1-4), p.42-45
Main Authors: Cornwell, C.F., Wille, L.T.
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Elasticity
Elasticity, elastic constants
Exact sciences and technology
Mechanical and acoustical properties of condensed matter
Mechanical properties of solids
Molecular dynamics
Nanotubes
Parallel computing
Physics
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Summary:Using the Tersoff-Brenner potential we have performed molecular dynamics simulations of nanotubes under axial strain, analyzing both compression and stretching forces. These large-scale simulations were carried out on a MasPar massively parallel computer. The elastic response is investigated and expressions for various elastic constants are derived from the simulations. Typical failure modes are also shown and discussed.
ISSN:0927-0256
1879-0801
DOI:10.1016/S0927-0256(97)00136-5