Prediction of Young’s modulus of single wall carbon nanotubes by molecular-mechanics based finite element modelling

Meo, Michele; Rossi, Marco

doi:10.1016/j.compscitech.2005.11.015

Cited by 276 publications

(168 citation statements)

References 22 publications

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“…12 Cantilevered supporting conditions were assumed in all cases, following [20] and [24, fig 4], because of their easy implementation and interpretation of numerical results. Such restraints have been performed through the introduction of pinned joints at the nodes of the left end of the SWCNT, accordingly with the linear degrees of freedom (DOFs) regarded in our model.…”

Section: Numerical Results and Discussionmentioning

confidence: 99%

“…Hence Meo and Rossi [20] used the Morse potential for axial stiffness but linearized angular stiffness. Anyway, from fig.4(a) is expected that the choice of the potential will be inconsequential as far as axial strains remain lower than 0.01 nm (about 7%).…”

Section: Interatomic Potentialsmentioning

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.…”

Section: Introductionmentioning

confidence: 97%

“…al [31] generalized the work in [26] to Chiral SWCNTs and extended it to the study of shear modulus. In a more general way, Meo and Rossi [20] implemented the 'stick-spiral' model in the commercial code ANSYS and included Chiral SWCNTs in the study of the longitudinal behavior.…”

Section: Introductionmentioning

confidence: 99%

“…A detailed comparison between the more usual interatomic potential functions (AMBER and Morse) has been performed under several load cases: tension, compression, bending and torsion. Likewise, both forcelengthening and moment-distortion nonlinear relationships have been regarded with Morse potential, generalizing the work of Meo and Rossi [20]. In this way, we keep the straightforward relationship between both interatomic potentials and both kinds of structural elements (bar elements and rotational springs) into the 'stickspiral' model.…”

Section: Introductionmentioning

confidence: 99%

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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: Numerical Results and Discussionmentioning

confidence: 99%

Section: Interatomic Potentialsmentioning

confidence: 99%