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Molecular dynamics (MD) simulations were used to calculate the tensile and compressive properties of carbon nanotube (CNT) bundles, with the atomic interactions modeled by the short-range Brenner potential coupled with the long-range van der Waals potential. The dependence of the tensile and compressive properties of various configurations of CNT bundles was investigated. The critical strains, failure...
In this paper, we examine the elastic and plastic properties of carbon nanotubes (CNTs) under axial tension using the molecular dynamics (MD) simulation performed in the microcanonical ensemble. The interaction force between atoms is modeled using the second-generation of reactive empirical bond-order (REBO) potential coupled with the Lennard-Jones potential. In our simulations, we obtain the stress-strain...
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