Buckling and post-buckling analysis of single wall carbon nanotubes using molecular mechanics

Genoese, Alessandra; Salerno, Ginevra

doi:10.1016/j.apm.2020.03.012

Cited by 13 publications

(5 citation statements)

References 72 publications

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“…It is necessary to point out that nanobeam's mechanical properties' experiments are challenging, and the existing experimental results have signi cant errors [17,51]. Molecular dynamics (MD) calculations of SWCNTs show a big gap between the calculated results and the classical models that do not include scale effects or physical nonlinearity [52,53]. Furthermore, MD calculations con rm that the calculations' results are consistent with the models with the nonlocal effect [9,31] or physical nonlinearity [16].…”

Section: Resultsmentioning

confidence: 99%

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Nonlocal Euler–Bernoulli beam theories with material nonlinearity and their application to single-walled carbon nanotubes

Huang

2022

Nonlinear Dyn

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Although the small-scale effect and the material nonlinearity signi cantly impact the mechanical properties of nanobeams, their combined effects have not attracted researchers' attention. In the present paper, we propose two new nonlinear nonlocal Euler-Bernoulli theories to model nanobeam's mechanical properties corresponding to extensible or inextensible locus. Two new theories consider the material nonlinearity and the small-scale effect induced by the nonlocal effect. The new models are used to analyze the static bending and the forced vibration for single-walled carbon nanotubes (SWCNTs). The results indicate that the material nonlinearity and the nonlocal effect signi cantly impact SWCNT's mechanical properties. Therefore, neglecting the two factors may cause qualitative mistakes.

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Section: Resultsmentioning

confidence: 99%

“…The stability of steady-state motions depends on the coe cient matrix's eigenvalues of Eqs. (52) Eq. (53) indicates that the nonlinear term affects the stability of the steady-state solutions.…”

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confidence: 99%

Nonlocal Euler–Bernoulli beam theories with material nonlinearity and their application to single-walled carbon nanotubes

Huang

2022

Nonlinear Dyn

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“…𝑈 𝑡𝑜𝑡 = ∑ 𝑈 𝑟 + ∑ 𝑈 𝜃 (10) In other words, the distance between two atoms increases with rising temperature and vice versa in SWCNT under axial loading in the remaining 120 degrees. Eq (11) is used to determine changing length :…”

Section: Temperature Effect On Constant Force Filedmentioning

confidence: 99%

“…They Utilize an energy-equivalent model and examine the impact of size scale on the buckling and post-buckling of single-walled carbon nanotubes (SWCNTs) supported by nonlinear elastic supports. In 2022, Alessandra Genoese et al [11] investigated buckling and post-buckling analysis of single-wall carbon nanotubes using molecular mechanics. To examine the effectiveness of the model and the function of the quaternary interactions in contexts of both global and local behaviors, several case studies involving zigzag and armchair tubes of various aspect ratios, under compression, bending, and torsion, are addressed.…”

Section: Introductionmentioning

confidence: 99%

Thermal Effect on The Post-buckling And Mechanical Response of Single-Walled Carbon Nanotubes: A Numerical Investigation

Besharat Ferdosi

2023

focsci

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The subject of this article is the study of the post-buckling behavior of single-walled carbon nanotubes (SWCNT) under various thermal conditions, different lengths, and chiralities. The critical buckling loads should be found first to investigate the post-buckling behavior. Then the buckling modes are used as a geometrical imperfection to analyze the postbuckling path. For post-buckling analysis, the boundary conditions are assumed to be clamped. A space-frame model is here employed for the zigzag and armchair nanotubes with different chiralities and aspect ratios. This approach models the linkage between carbon atoms as a three-dimensional elastic beam. The sectional property parameters of these beam members are obtained by establishing a linkage between structural and molecular mechanics. This strategy is far more affordable and faster than the molecular dynamics simulation technology approach, which was previously used. The obtained results indicate that, as expected, the critical buckling load decreases by increasing the aspect ratio of the nanotubes as well as chirality. Also, it is noticed that the post-buckling behavior of both armchair and zigzag nanotubes are quite similar. In addition, the effect of temperature on the post-buckling behavior is investigated. Due to the influence of temperature over the linkage length and force field constants it is shown that when the temperature increases a decline in the critical buckling loads is observed and the post-buckling path also goes through this decreasing process. It is the same for both nanotubes.

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“…Therefore, simulation techniques are employed to fulfill this shortcoming. A blend of simulation methods from continuum mechanics approach [21,22] to molecular mechanics [23,24] and molecular dynamics (MD) methods [25,26] have been previously examined to investigate compression and buckling behavior in CNTs. However, these methods cannot necessarily be effective to explore the CNT behavior under shockwaves.…”

Section: Introductionmentioning

confidence: 99%

Mechanical characterization of reinforced vertically-aligned carbon nanotube array synthesized by shock-induced partial phase transition: insight from molecular dynamics simulations

Edalatmanesh

Mahnama

Feghhi

et al. 2022

J. Phys.: Condens. Matter

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Despite intriguing mechanical properties of carbon nanotubes (CNTs), Vertically-aligned carbon nanotube (VACNT) array does not possess a high strength against compression along the CNT axis and also the loadings perpendicular to the CNT axis. Here in this study, shock compression is introduced as a means for partial phase transition (PPT) in the VACNT array to reinforce the structure against the mentioned loadings. Molecular dynamics simulations are exploited to investigate the synthesis of a novel nanostructure from a VACNT array with 10nm long (5,5) CNTs. Employing Hugoniostat method, shockwave pressures of 6.6 GPa and 55GPa are extracted from Hugoniot curves as the instability limit and the PPT point, respectively. Coordination analysis reveals the nucleation of carbon atoms in sp3 hybridization while preserving the dominant nature of CNT due to the high percent of sp2 hybridization. Recovery of the shocked samples yields the final structure to be tested for mechanical characteristics. Tensile and compression tests on the samples reveal that for the shockwave pressures below the PPT point, an increase of the shock strength leads to higher compliance in the VACNT array. However, beyond the PPT point the novel nanostructure shows an extraordinary strong behavior against loading along all directions.

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Buckling and post-buckling analysis of single wall carbon nanotubes using molecular mechanics

Cited by 13 publications

References 72 publications

Nonlocal Euler–Bernoulli beam theories with material nonlinearity and their application to single-walled carbon nanotubes

Nonlocal Euler–Bernoulli beam theories with material nonlinearity and their application to single-walled carbon nanotubes

Thermal Effect on The Post-buckling And Mechanical Response of Single-Walled Carbon Nanotubes: A Numerical Investigation

Mechanical characterization of reinforced vertically-aligned carbon nanotube array synthesized by shock-induced partial phase transition: insight from molecular dynamics simulations

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