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This paper describes a finite element method that is appropriate for the numerical prediction of the nonlinear mechanical behavior of different types of isolated single walled carbon nanotubes. A finite element progressive fracture model based on the modified Morse interatomic potential is used to evaluate mechanical properties of carbon nanotubes, such as axial and radial Young's modulus, shear modulus,...
We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the thick tube is harder to be twisted while the thin tube exhibits higher ultimate twisting ratio. For multi-walled nanotubes, the zigzag tube is found to be able to stand more...
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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