Prediction of elastic properties for single-walled carbon nanotubes

Natsuki, Toshiaki; Tantrakarn, Kriengkamol; Endo, Morinobu

doi:10.1016/j.carbon.2003.09.011

Cited by 154 publications

(112 citation statements)

References 30 publications

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“…The same subject was investigated by Natsuki et. al [28] but neglecting the curvature and similar issues were addressed by Wang [29]. Also Natsuki and Endo [30] extended their previous work to the tensile and compressive behavior of SWCNTs.…”

Section: Introductionmentioning

confidence: 81%

“…Harmonic potentials.-The potential is described as the addition of the potentials due to different relative displacements between atoms, expressed as a quadratic form each one: (25) where: U r = potential including the change in length of the bond U θ = potential including the change in angle among neighboring covalent bonds U φ = potential due to the torsion of the bond U ω = potential due to the torsion of the bond (out-of-plane rotation) U vdw = potential including Van der Waals (VDW) interaction Usually, definition (25) is simplified [26,28,29,36] by only keeping the first and second terms as:…”

Section: Interatomic Potentialsmentioning

confidence: 99%

“…Hence, our results agree qualitatively well with those obtained from the expresions of Natsuki et. al [28] (AMBER potential) and Natsuki and Endo [30] (Morse potential) taking t = 0.34 nm. In these references, no initial stresses were taken into account.…”

Section: Axial Behaviormentioning

confidence: 99%

“…Nevertheless, the choice of the potential has more influence than initial stresses, which could be readily neglected. As well, the Young modulus in tension derived from [28] (E = 805 ′ 01GPa) is used to plot additional bending curves in figs 14(a) and 14(b) respectively, giving stiffer results than the equivalent curve with our model in around 23%.…”

Section: Flexural Behaviormentioning

confidence: 99%

“…Therefore, the effect of initial SWCNTs curvature has been introduced explicitly through a system of initial stresses (prestressed state) which contribute to maintain their circular cross-section. Numerical results and deformed shapes for nanotubes with several diameters and chiralities under each load case are used to obtain their mechanical parameters with the only objective of checking the present formulation with previous works [28], [30], [20], [24]. Also, the significance of the atomistic discrete simulations at the nano-scale size against other continuum models is underlined.…”

mentioning

confidence: 97%

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A molecular structural mechanics model applied to the static behavior of single-walled carbon nanotubes: New general formulation

Merli

Lázaro

Monleón

et al. 2013

Computers & Structures

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ElsevierMerli Gisbert, R.; Lazaro, C.; Monleón Cremades, S.; Domingo Cabo, A. (2013). A molecular structural mechanics model applied to the static behavior of single-walled carbon nanotubes: New general formulation. Computers and Structures. 127:68-87. doi:10.1016/j.compstruc.2012.11.023 AbstractA new general formulation for the mechanical behavior of Single-Walled Carbon Nanotubes is presented. Carbon atoms are located at the nodes of an hexagonal honeycomb lattice wrapped into a cylinder. They are linked by covalent C − C bonds represented by a truss or spring element, and the three-body interaction among two neighboring covalent bonds is reproduced by a rotational spring. The main advantage of our approach is to allow general load conditions (and any chirality) with no need of specific formulation for each load case, in contrast with previous works [26], [27], [31]. Four load configurations are adopted: tension, compression, bending and torsion of cantivelered SWCNTs. Calculations with our own codes for both AMBER and Morse potential functions have been carried out, aimed to compare their final results. Initial positions of the atoms (nodes) into nanotube cylindrical geometry has been reproduced in great detail by means of a conformal mapping from the planar graphene sheet. Therefore, the effect of initial SWCNTs curvature has been introduced explicitly through a system of initial stresses (prestressed state) which contribute to maintain their circular cross-section. Numerical results and deformed shapes for nanotubes with several diameters and chiralities under each load case are used to obtain their mechanical parameters with the only objective of checking the present formulation with previous works [28], [30], [20], [24]. Also, the significance of the atomistic discrete simulations at the nano-scale size against other continuum models is underlined.

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Section: Introductionmentioning

confidence: 81%