Advances in mechanical analysis of structurally and atomically modified carbon nanotubes and degenerated nanostructures: A review

Yengejeh, Sadegh Imani; Kazemi, Seyedeh Alieh; Öchsner, Andreas

doi:10.1016/j.compositesb.2015.10.006

Cited by 48 publications

(23 citation statements)

References 102 publications

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“…In this study, we investigate the buckling characteristics in ideal, defect-free, homogeneous, and structurally and morphologically degenerate carbon nanostructures, namely the linearly-and angle-adjoined SWCNT and cylindrical fullerenes models under axial loading, and evaluate the impact of possible structural modifications in these models on their CBL characteristics. The investigated SWCNT and cylindrical fullerene models display significant structural aberrations, that separate them from classical low-dimensional carbon systems investigated in earlier works [Imani Yengejeh et al, 2016]. It is therefore conceivable that the structural stability of such asymmetric models could be greatly influenced by their axial symmetry, relative position of defects in their structure, boundary conditions and other factors.…”

Section: Introductionmentioning

confidence: 83%

Numerical Analysis of the Structural Stability of Ideal (Defect-Free) and Structurally and Morphologically Degenerated Homogeneous, Linearly- and Angle-Adjoined Nanotubes and Cylindrical Fullerenes Under Axial Loading Using Finite Element Method

Yengejeh

Öchsner

Kazemi

et al. 2018

Int. J. Appl. Mechanics

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We report on the structural stability of ideal (defect-free) and structurally and morphologically degenerate carbon nanotubes and nanotube junction systems under axial loading based on the finite element method. We estimated the values for critical buckling load for uncapped and capped single-walled carbon nanotubes (SWCNTs) and linear and angle-adjoined SWCNT heterojunctions in ideal and structurally degenerate systems containing single-, double-, triple-, pinhole- and pentagon–heptagon (i.e., 5–7) structural defects and also containing a substitutional nitrogen (N) atom inclusion under compressive loading. Absolute atomic vacancy (defect) concentration in studied SWCNTs models was assumed to be nil for ideal systems, and was up to 3.0 at.% for structurally and morphologically degenerate systems. It was found that all types of structural defects and the morphological N-defect had reduced the load carrying capacity and mechanical strength in all SWCNT systems studied. The SWCNT models containing physically large vacant sites, such as triple- and pinhole-defects, displayed significantly lower critical load values compared to the systems that contained only a single-, double- or triple-vacancies. In addition, we found that capped SWCNTs performed marginally better in critical load carrying capacity compared to uncapped SWCNT systems. Furthermore, majority of the investigated structures displayed reduced load in SWCNTs with narrower tube widths, proportional to the size and the type of the defect investigated. The effects of chirality, such as zigzag- versus armchair-type, on the structural stability of the investigated SWCNT models were also investigated.

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Section: Introductionmentioning

confidence: 83%

Numerical Analysis of the Structural Stability of Ideal (Defect-Free) and Structurally and Morphologically Degenerated Homogeneous, Linearly- and Angle-Adjoined Nanotubes and Cylindrical Fullerenes Under Axial Loading Using Finite Element Method

Yengejeh

Öchsner

Kazemi

et al. 2018

Int. J. Appl. Mechanics

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“…Figures 1 and 2 illustrate the bond length and geometry of graphene sheets around the atomic imperfections obtained from the FE and DFT simulations. It should be noted that the bond length for a perfect structure is 0.142 nm [15,16].…”

Section: Methodsmentioning

confidence: 99%

Simulations of Graphene Sheets Based on the Finite Element Method and Density Functional Theory: Comparison of the Geometry Modeling under the Influence of Defects

Yengejeh

Kazemi

Ivasenko

et al. 2017

JNanoR

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In the present research, imperfect graphene sheets were generated and their vibrational property was studied via finite element analysis. The effect of vacant sites in the arrangement of these nano-structures was examined. The fundamental frequency of the defect free and imperfect nano-sheets was acquired based on two different approaches. The first approach was a pure finite element simulation. The second approach for comparison purpose was a recently reported refined finite element simulation at which the vicinity of a defect was first evaluated according to the density functional theory (DFT) and then the refined geometry was implemented into a finite element model. The findings of this research show that the fundamental frequency of graphene sheets decreases by presenting microscopic imperfection to the formation of these nano-materials. In addition, it was pointed out that the geometry based on the more precise DFT simulations gives a higher decrease in the fundamental frequency of the sheets for all considered cases.

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“…Carbon Nanotubes (CNTs) and their degenerated modifications including nanocones, capped CNTs, fullerene, Yjunctions, linearly-joined and angle-adjoined CNTs, are a class of promising low-dimensional materials used in the electronics, composites, and energy conversion areas, which performance are directly related to their mechanical properties and stabilities [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. The buckling of nanomaterials under compression loading, is influenced by the physical height of the models, their axial symmetry, relative position to normal reference plane and their fixation mode.…”

Section: Introductionmentioning

confidence: 99%

Effects of geometric variations on buckling properties of carbon nanostructures: A finite element analysis

Golesorkhie¹,

Navi²

2020

JMES

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Critical Bucking Load (CBL) is one of the essential parameters to describe the mechanic stabilities of materials, e.g. the low-dimensional carbon nanostructures. While the CBL of pristine carbon nanotubes have been previously investigated using the quantum mechanics-based calculations, the effect of geometrical variation on the CBL of carbon nanomaterials is rarely reported since it need considerably large atomic models, which needs high computational cost. In this study, both the analytical and Finite Element (FE) methods were employed to systematically explore the impact of atomic vacancies, shapes and heterostructures on the CBLs of carbon nanomaterials with the acceptable computational cost. Our studies on the pristine CNTs first demonstrate the validity of the method we used. After that, the systems with mono-/bi-/tri-/pinole-vacancies either on nanocones, nanotube, linearly-joined nanotubes or angle-adjoined were simulated and analyzed. Our results reveal that the CBL values decrease with the increase of the aspect ratio of all considered nanomaterials. Based on the obtained results, the CBL of nanocone with the aspect ratio of 1, reduces significantly, from 50 nN to 10 nN when the aspect ratio is 3. The CBL of homogeneous, capped, and joint CNTs reduces to below 2 nN when the aspect ratio is above 14. The introduction of geometric variations can greatly affect the CBL values. The larger atomic vacancy has more serious impact on the CBLs. The most highlighted impact is for the pinhole vacancy where the CBL reduces to up to 70% of the original value. Our studies on linearly-joint and angle-joint carbon hybrids further demonstrate that the CBL can also be affected by the boundary conditions and joint structures of the hybrids.

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Advances in mechanical analysis of structurally and atomically modified carbon nanotubes and degenerated nanostructures: A review

Cited by 48 publications

References 102 publications

Numerical Analysis of the Structural Stability of Ideal (Defect-Free) and Structurally and Morphologically Degenerated Homogeneous, Linearly- and Angle-Adjoined Nanotubes and Cylindrical Fullerenes Under Axial Loading Using Finite Element Method

Numerical Analysis of the Structural Stability of Ideal (Defect-Free) and Structurally and Morphologically Degenerated Homogeneous, Linearly- and Angle-Adjoined Nanotubes and Cylindrical Fullerenes Under Axial Loading Using Finite Element Method

Simulations of Graphene Sheets Based on the Finite Element Method and Density Functional Theory: Comparison of the Geometry Modeling under the Influence of Defects

Effects of geometric variations on buckling properties of carbon nanostructures: A finite element analysis

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