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2 visualizações13 páginasAdvances in Mechanical Analysis of Structurally and Atomically Modified Carbon Nanotubes and Degenerated Nanostructures- A Review

Nov 27, 2017

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Advances in Mechanical Analysis of Structurally and Atomically Modified Carbon Nanotubes and Degenerated Nanostructures- A Review

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Advances in Mechanical Analysis of Structurally and Atomically Modified Carbon Nanotubes and Degenerated Nanostructures- A Review

© All Rights Reserved

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Composites Part B

journal homepage: www.elsevier.com/locate/compositesb

modied carbon nanotubes and degenerated nanostructures: A

review

Sadegh Imani Yengejeh a, *, Seyedeh Alieh Kazemi b, Andreas Ochsner c, d

a

Department of Solid Mechanics and Design, Faculty of Mechanical Engineering, Universiti Teknologi Malaysia e UTM, 81310 UTM Skudai, Johor, Malaysia

b

Department of Mechanical Engineering, The University of Birjand, Birjand, Iran

c

School of Engineering, Grifth University, Gold Coast Campus, Southport 4222, Australia

d

School of Engineering, The University of Newcastle, Callaghan, New South Wales 2308, Australia

a r t i c l e i n f o a b s t r a c t

Article history: In the past few years, numerous research activities concerning the mechanical behavior of defected and

Received 18 September 2015 imperfect carbon nanotubes have been conducted. It is reported that the superlative mechanical prop-

Received in revised form erties of these nano-structures, i.e. high stiffness, high strength and vibrational response, would be

3 October 2015

affected by existing or introducing defects and impurities in the structure of the nanotubes. Such defects

Accepted 7 October 2015

Available online 23 October 2015

may results from manufacturing routes or introduced on purpose to tailor certain physical properties.

This review attempts to categorize and highlight the advanced breakthroughs and recent studies

employed to investigate the mechanical properties, e.g. stiffness, buckling behavior and vibrational

Keywords:

A. Nano-structures

response of structural and atomically modied carbon nanotubes. The presented studies cover the

B. Mechanical properties mechanical behavior of nanotubes, both theoretically and experimentally which allowed a realistic

B. Defects prediction of the mechanical behavior of defected tubes in a closer form to those found in reality. It was

Atomic and structural modication concluded that any type of imperfection, either atomic or structural modication, inuences the me-

chanical behavior of nanotubes and reduces the stiffness and structural stability, as well as vibrational

response of these nano-structures. The present review includes: (i) a brief introduction to atomic and

structural modication of nanotubes; (ii) a review of mechanical analysis of atomically and structurally

modied models in two separate sections; and (iii) a detailed conclusion on the discussed studies and

present the potential progress.

2015 Elsevier Ltd. All rights reserved.

properties made these nanostructures distinctive and consequently

The industrialized world requires novel and sophisticated made them very interesting for a large number of advanced ap-

technologies, for example, from nano-science to aerospace. Such plications as either stand-alone nanomaterials or reinforced com-

new technologies desire new devices constructed from new ma- posite materials. Numerous investigations have been conducted on

terials. Over the past few decades, carbon nanotubes have gener- obtaining and improving the properties of CNTs. Prediction of

ated huge interest from many areas of science and engineering. This Young's modulus (of about 1 TPa) and tensile strength (of up to

is mainly due to their outstanding physical, mechanical and 63 GPa) for CNTs were of the most important objectives of these

chemical properties, such as high strength, good conductivity, high studies [11]. These investigations can be divided into two groups of

stiffness, and high aspect ratio but very low density [1e9]. Carbon experimental and computational approaches. Molecular dynamics

nanotubes (CNTs) are hollow cylinders, constructed by hexagonal (MD) and continuum mechanics techniques such as the nite

unit cells, shaped by carbon atoms which were found by Iijima in element method (FEM) have been the most predominant compu-

tational approaches to evaluate the behavior of CNTs [12e14].

These nanostructures exist in single-walled or multi-walled con-

* Corresponding author. Tel.: 98 9359459747. gurations. The single-walled carbon nanotube (SWCNT) [15,16] is

E-mail addresses: Imani.sd@gmail.com (S. Imani Yengejeh), Sa.kazemi83@gmail. formed by rolling a single graphene sheet seamlessly to model a

com (S.A. Kazemi), Andreas.Oechsner@gmail.com (A. Ochsner).

http://dx.doi.org/10.1016/j.compositesb.2015.10.006

1359-8368/ 2015 Elsevier Ltd. All rights reserved.

96 S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107

cylinder with a diameter of 1 nm and length of order of centimeters. congurations are classied as straight structures and bending

Similar to the basal plane separation in graphite, the multi-walled models, i.e. if the constituent CNTs of a hetero-junction are in the

carbon nanotube (MWCNT) is an array of such cylinders formed same type (either armchair, zigzag and chiral), the conguration of

concentrically and separated by 0.35 nm with diameters from 2 to the hetero-junction is considered as a straight model and the ho-

100 nm and lengths of tens of microns. mogeneous CNTs will be connected with parallel longitudinal axis.

There are quite a lot of experimental reports on the impurities of

CNTs showing the existence of different kinds of imperfections in 2.2.2. Kink hetero-junction

the structure of CNTs including distortion, bending and twisting On the other hand, if the initial homogeneous CNTs of a hetero-

along their longitudinal axis [17e19]. Nevertheless, most of re- junction are not in the same type, the hetero-junction will be

searchers considered the perfect form of CNTs in their computa- created with a bending angle. This type of structure is called a kink

tional and theoretical investigations and very less attention has hetero-junction. As it is noticeable, the pentagoneheptagon pair

been paid to the mechanical behavior of imperfect, impure, curved, defects of straight hetero-junctions both appear in one side of the

and hetero-junction CNTs. The following investigations allow a CNT. In contrast, the pentagoneheptagon pair defects of kink

more realistic prediction of the mechanical properties of structural hetero-junctions with bending angles are placed separated in

and atomically modied CNTs in a closer conguration to those opposite sides of these specic nano-structures [24].

found in reality which can be of use and importance in nano-

engineering and nano-material production. This review is orga- 2.2.3. Curvature

nized as follows: Section 2 provides a brief introduction to atomic Curvature is a very important macroscopic defect in the

and structural imperfection of CNTs. Section 3 and 4 present a re- conguration of CNTs which has a signicant inuence on the

view of mechanical analysis of atomically and structurally modied mechanical behavior of these nano-particles. According to experi-

CNTs including axial and torsional stiffness, buckling behavior and mental and modeling results, one of the key aspects of CNTs which

vibrational response of the CNTs, respectively. The last section should be properly addressed is initial curvature [23]. Several ex-

concludes the mentioned study and provides an overview on the periments revealed that the structure of nanotubes will be

recent advances of modied CNTs. deformed due to external forces [25].

CNTs might be deformed by introducing a twisting angle to the

Basically, the defects in the structure of CNTs are divided into conguration of the tube. This specic modication affects the

two major categories, i.e. atomic and structural modication. mechanical properties of CNTs [26]. Some experimental in-

vestigations revealed the twisted structure of these nanotubes.

2.1. Atomic modication

2.2.5. Spiral deformation

There are some specic types of defects, e.g. doping, carbon This type of deformation occurs when the tube is twisted, like a

vacancy and perturbation which can impure the conguration of spring, along its longitudinal axis [27]. Based on this spiral angle,

CNTs. several CNTs can be created with different conguration.

Fig. 1 illustrates a few instances of the mentioned structural and

2.1.1. Doping atomic modications.

This random imperfection corresponds to the case where a nite

number of carbon atoms were replaced by silicon, nitrogen, boron, 3. Research work on atomic modication

etc. [20e22].

The following sections provide a review on the mechanical

2.1.2. Carbon vacancies behavior of atomically modied CNTs.

In such cases, a nite number of carbon atoms are missing in the

structure of CNTs. 3.1. Axial stiffness

2.1.3. Perturbation In 2004, Liew et al. [28] examined the elastic and plastic prop-

In this condition, all carbon atoms of the CNT are misplaced for a erties of CNTs under axial tension using the MD simulation. They

random length. also modeled the interaction force between atoms applying the

second-generation of reactive empirical bond-order potential

2.2. Structural modications coupled with the LennardeJones potential. They obtained the

stressestrain response to describe the elastic and plastic behavior

Apart from atomic modications in the structure of CNTs, there of SWCNTs and MWCNTs. In addition, they discussed and presented

are other types of macroscopic defect, e.g. hetero-junction, curved the plastic deformation due to the formation of the StoneseWales

tubes, twisted CNTs, spiral deformation, which affect the mechan- defects and the brittle fracture due to the bond breaking. Their

ical behavior of these carbon nano-structures. simulation revealed that the fracture damage of MWCNTs initially

takes place in the outer most layer, and subsequently occurring in

2.2.1. Straight hetero-junction the inner layer. Lau et al. [29] presented a critical review on the

It is possible to connect two different homogeneous CNTs by prediction of mechanical properties of CNTs. They discussed the use

introducing a pair of pentagon and heptagon defects in the other- of nite element modeling combined with MD simulation for

wise perfect hexagonal graphite lattice [23]. Hetero-junction CNTs evaluating the mechanical properties of nanostructures. They

are categorized based on the structures of their two initial homo- pointed out that the value of Young's modulus cannot be directly

geneous CNTs. The connecting region of these nano-structures is used to estimate the mechanical properties of MWCNTs due to the

categorized into three different classications, i.e. large angle, small discontinuous stress transfer inside the nanotubes. Then, in 2006,

angle, and straight connections. Depending on the type of the Meo and Rossi [30] proposed a FE model to investigate the fracture

fundamental CNTs of hetero-junctions, these specic progress in armchair and zigzag CNTs with defects under uniaxial

S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107 97

SWCNTs. One year later, in 2008, Agrawal et al. [34] conducted MD

simulations of armchair and zigzag CNTs under tensile load to

investigate the vibration of six CeC bond lengths and bond angles

of the hexagons in SWCNTs as a function of tensile. They also per-

formed simulations at higher values of strain in order to obtain the

values of breaking strain. Based on their nding, they suggested

that the presence of attenuation functions in empirical potentials

may cause problems, if bond distances or strains become larger

than the onset point of these functions. In the same year, Qin et al.

[35] applied MD simulation to study the mechanical behavior of

single-walled to four-walled CNTs with intramolecular junctions

(IMJs) under uniaxial tension. Moreover, they examined the

dependence of deformation and failure behaviors of IMJs on the

geometric parameters. They found that the rupture strength of a

junction is close to that of its thinner CNT segment, and the rupture

strain and the Young's modulus show a signicant dependence on

its geometry. Their simulation also revealed that the damage and

rupture of MWCNTs junctions take place rst in the innermost layer

and then propagate consecutively to the other layers. In 2009,

Rahmandoust and Ochsner [36] generated perfect structures of FE

models of SWCNTs. Then, after deriving mechanical properties in

agreement with existing literature values, different levels of

perturbation and missing atoms in the model were applied. In

another approach, some of the carbon atoms were replaced with

silicon to produce a Si-doped SWCNT. Afterwards, they compared

the mechanical behavior of the three kinds of imperfect structures

with the perfect tubes. Finally they concluded that with any type of

imperfection, the stiffness of the model decreases compared to the

perfect CNT. Nevertheless, they used a limited range of CNTs in their

investigation. Alizada and Soyev [37] evaluated the modied

Young's moduli in both directions for the two-dimensional single

crystal body with a square lattice applying continuum mechanics

method. They also compared the values of effective Young's moduli

with the same values for an innite crystal lattice. Their in-

vestigations indicated that the inuences of scale effects and va-

cancies on Young's moduli are signicant. Furthermore, they

concluded that the effective Young's moduli have three compo-

nents, i.e. the macroscopic value, factors determining the scale ef-

Fig. 1. Some examples of structural and atomic modications: (a) three-junction, (b) fect, and factors determining the vacancy. Talukdar and Mitra [38]

Si-doping, (c) straight hetero-junction, (d) carbon vacancy, (e) spiral tube, (f) pertur- studied the effect of StoneeThrowereWales defects on the me-

bation, (g) curved tube, (h) pentagon-heptagon pair defect. chanical properties a zigzag (5,0) SWCNT by applying MD simula-

tion in 2010. They considered two different interatomic potential

functions, the TersoffeBrenner bond order potential and the Tight-

tensile stress. The novelty of their proposed approach lies in the use Binding potential. Applying the mentioned potentials, made their

of nonlinear axial and torsional springs to model a local interaction novel investigation an outstanding study in nano-engineering. The

and breakage of bonds of CNT atoms under axial loads. Their nding CNT was subjected to axial stretch and the potential energy was

revealed that the effect of chirality on the mechanical properties computed for gradually increasing values of strain. From the

and failure mode of CNTs was quite signicant and cannot be energyestrain curve, the mechanical characteristics such as

neglected. After that, Chandra and Namilae [31] applied MD and Young's modulus, tensile strength and ductility were computed

static simulations to investigate the mechanical behavior of perfect using both the potentials, rstly with a perfect lattice and then by

and atomically defective CNTs. They observed that the elastic introducing an increasing number of StoneeThrowereWales de-

properties of CNTs are signicantly inuenced by the presence of fects. They nally observed a signicant reduction in the values of

doping and StoneeWales defects. Tserpes et al. [32] applied an the mechanical properties with changes in the plastic deformation

atomistic-based progressive fracture model to simulate the me- pattern. Hayashi and Endo [39] introduced the synthesis and

chanical performance of CNTs under the inuence of topological application of CNTs as ller for nanocomposite materials. They

defects. They indicated that the predicted fracture evolution, failure overviewed the physical and chemical behavior of CNTs such as the

stresses and failure strains of the CNTs correlate very well with mechanical strength and density and presented the main compo-

molecular mechanics simulations from the literature. Later in 2007, nent of CNTs and its purication. Alizada and Soyev [40]

Tesepes and Papanikos [33] studied the effect of the StoneeWales continued their investigations and studied the mechanics of

defect on the tensile behavior and fracture of armchair, zigzag and deformation and stability of an elastic beam with a nanocoating

chiral SWCNTs, applying an atomistic-based progressive fracture under an axial compression. They modeled the behavior of the

model. They nally concluded that the inuence of the Stone- construction by the two-layered beam and obtained the stresse-

eWales defect on the tensile behavior of the SWCNTs depends strain relations of the elastic beam with nanocoating under axial

solely on the nanotube chirality and the tube size was found to play tensile load. They nally explored the inuence of the

98 S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107

characteristics of a nanocoating on the values of the dimensionless models. They nally showed that longitudinal elastic modulus re-

critical axial load parameter. Then, in 2012, Ghavamian et al. [41] duces by introducing the atomic defects to the structure of the

constructed several SWCNTs and MWCNTs in their perfect and tubes. El-barbary et al. [50] presented a detailed theoretical study of

imperfect from in order to investigate the mechanical properties of the behavior of mono-vacancy and B-doped defects in carbon

these nano-structures. They also compared the numerical results of hetero-junction nanodevices. It was shown that the highest surface

imperfect models with those of perfect ones. Their ndings reactivity is found for the B-doped zigzagearmchair hetero-

revealed that the impurities in the perfect models lead to lower junction and it is easier to remove the carbon atom from the

stiffness values. Kinoshita et al. [42] examined the mechanical network of hetero-junction armchairearmchair CNTs than the

properties of SWCNTs with one-dimensional IMJs, applying rst- hetero-junction zigzagearmchair and zigzagezigzag CNTs. Then,

principle density functional theory calculation. They also investi- Sihn et al. [51] developed a computational scheme to predict

gated the inuence of pentagon and heptagon pair defects at the stiffness and strength of carbon nanostructures under various

junction on the Young's modulus, tensile strength and breaking loading modes. They investigated several carbon nanostructures

strain of IMJs. Based on their calculations, it was indicated that the including CNTs, graphene, CNT with defect, a CNT graphene junc-

deformation concentration on a seven-membered ring causes the tion and pillared graphene nano-congurations. For all cases, they

strength and elongation of CNT-IMJs to decrease. They pointed out identied the maximum stress and strain at failure of these carbon

that the tensile strength and breaking strain of CNT-IMJs depend on nanoparticles as well as their critical failure modes. Employing MD

the position of pentagon and heptagon pair defects, while these simulations, Xi et al. [52] investigated the effect of radius and layer

properties of CNT-IMJs are not signicantly affected by the number thickness on the mechanical properties of CNTs with zig-

of pentagon and heptagon pair defects. Alizada et al. [43] conducted zagearmchairezigzag superlattice structures. The interaction be-

a study to investigate the stress analysis of a substrate coated by tween carbon atoms was modeled using the second-generation

nanomaterials with a vacancy under uniform extension load. They reactive empirical bond-order Brenner potential coupled with the

also obtained the expressions for the determination of the contact LennardeJones potentials. Based on their results, it was cleared that

pressure and stresses of the substrate with a nanocoating that have the Young's modulus of CNT superlattice structures shows a sig-

vacancies. Moreover, they computationally studied the effects of nicant dependence on its radius and layer thickness. Conversely,

the characteristics of a nanocoating with and without vacancies on the critical stress was insensitive to the layer thickness and radius

the values of contact pressure and stresses of the coated substrate. of CNT superlattice. Furthermore, the damage modes of the CNT

Based on the molecular mechanics approach, Baykasoglu et al. [44] superlattices depend on the connecting region due to the presence

predicted the failure behavior of CNTs. They pointed out that the of pentagon and heptagon pair defects. Raee and Mahdavi [53]

fracture behavior of all types of CNTs is brittle, armchair nanotubes studied the inuence of vacancy defects on the Young's modulus

are stiffer than zigzag CNTs and vacancy defects signicantly affect of CNTs, using two different nonlinear force elds. They also

the mechanical behavior of these nanostructures. Furthermore, it analyzed the effect of CNT diameter, chirality and length on their

was indicated that large deformation and nonlinear geometric ef- results. It was indicated that nanoscale continuum modeling, which

fects are important in regards to the fracture behavior of CNTs. is used as a compromise in modeling of nanostructure, un-

Applying a MD simulation approach, Vijayaraghavan and Wong derestimates the reduction level in the Young's modulus of defec-

[45] explored the mechanical characteristics of SWCNT with sur- ted CNTs. Furthermore, they concluded that the location of defects

rounding water interactions. They investigated the effect of plays an important role in dening the degree to which the Young's

chirality, geometry of the SWCNT and the presence of end caps on modulus decreases. Zuberi and Esat [54] simulated nite element

water submerged SWCNT. Their ndings indicated that the pres- models in order to investigate the mechanical properties of

ence of surrounding water molecules will reduce the mechanical SWCNTs. They evaluated the effect of diameter and chirality on the

strength of SWCNT. It was also revealed that the location and Young's modulus and Poisson's ratio of the nanotubes. Their pro-

concentration of defects will strongly affect the mechanical posed modeling technique presented a valuable tool for deter-

strength of nanotubes. Gkikas et al. [46] employed dynamic me- mining other material properties of nanostructures. Imani Yengejeh

chanical analysis in order to investigate the tensile properties of et al. [55] continued and broadened the previous computational

MWCNTs. They also examined the effect of the dispersion condi- studies and conducted an investigation examining the tensile

tions with regards to the CNT content, the sonication time and the behavior of several straight connected CNTs with pentagon and

total sonication energy input. In 2014, Sarma et al. [47] investigated heptagon pair defects. They found that the Young's modulus of

the inuence of the presence of points, line and StoneeWales de- these hetero-junctions is lower than the values of their initial ho-

fects on the tensile behavior of boron nitride nanotubes (BNNTs) by mogeneous CNTs. This occurs due to the existence of pentagon and

applying reactive force elds in the MD framework. They found that heptagon defects in the junctions of nanotubes. They also

the Young's modulus of single-walled (10,0) BNNTs of length concluded that by increasing the connecting length of the hetero-

100 nm is nearly 1.098 TPa. In addition, it was reported that the junctions, the Young's modulus of these specic CNTs decreases.

presence of defects reduces the tensile strength of the tube. The Therefore, the tensile strength of hetero-junctions depends on the

main objective of Raee and Pourazizi [48] was to investigate the presence of pentagon and heptagon pair defects. Table 1 summa-

inuence of microscopic defects on the mechanical properties of rizes some of the highlighted theoretical and experimental studies

SWCNTs. They considered the number of CeC bonds, distributions for predicting Young's modulus of atomically modied CNTs.

and their orientations as random variables accounting for full sto-

chastic analysis. Thus, a computer code was provided for the sto- 3.2. Torsional stiffness

chastic modeling. They obtained the Young's modulus of defected

CNTs and compared with non-defected ones. It was nally In 2009, Pozrikidis [56] investigated the inuence of the

concluded that the importance of vacancy defects is signicantly StoneeWales defect on the equilibrium structure and mechanical

higher than that of StoneeWales defects implying on the drawback properties of SWCNTs in axial stretch and twist which is due to the

of the chemical functionalization process. Recently, in 2015, Brcic rotation of a pair of neighboring atoms. Their numerical compu-

et al. [49] examined the mechanical properties of straight and tations for CNTs with zigzag and armchair chirality indicated that

waved CNTs by applying the FEM. In addition, different vacancy inclined, axial and circumferential defect orientations have a strong

defects were considered on the same straight and waved nanotube impact on the mechanical response of CNTs in axial stress and twist.

S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107 99

Table 1

Highlighted studies concerning the prediction of Young's modulus of atomically modied CNTs using different theoretical and experimental approaches.

Liew et al. [28] 2004 MD (second-generation reactive of 1.031e1.043 for (10,10) Studying the elastic and plastic properties of CNTs under

empirical bond-order) SWCNT; 0.872e0.932 for axial tension.

four-walled CNT

Meo and 2006 Nano-scale continuum modeling (NCM) 0.92 for armchair CNT; 0.912 for Predicting the ultimate strength and strain of SWCNTs and

Rossi [30] zigzag tube inuences of chirality and imperfection

Chandra and 2006 MD (static simulation) 1.05 for (8,0) CNT; 1.11 for Investigating the mechanical behavior of atomically

Namilae [31] (10,10) CNT modied CNTs.

Qin et al. [35] MD (the revised second-generation 0.72e0.83 for hetero-junction Studying the mechanical behavior of single- to four-walled

TersoffeBrenner potential) CNTs CNTs with IMJs under uniaxial tension

Rahmandoust and 2009 FEM 1.03 Investigating the mechanical behavior of perfect and

Ochsner [36] imperfect CNTs

Talucdar and 2010 MD (the TersoffeBrenner bond order 1.131 Predicting the mechanical behavior of zigzag CNTs under

Mitra [35] Potential and the Tight-Binding the inuence of StoneeThrowereWales defects

potential)

Ghavamian 2012 FEM 1.03 for SWCNT; 1.14 for Numerically evaluate the elastic properties of MWCNTs

et al. [39] ve-walled CNT

Kinoshita 2013 First-principle density functional theory 0.997e1.039 Investigating the inuence of pentagon and heptagon pair

et al. [40] defect at a junction on the Young's modulus, tensile

strength and breaking strength of IMJs

Sarma [44] 2014 MD (applying a reactive force eld) 1.098 Examining the effect of topological defects on the tensile

behavior of BNNTs

Raee and 2014 FEM (using nano-scale continuum 1.029 for zigzag CNT; 1.045 for Providing a computer code for the stochastic modeling and

Pourazizi [45] mechanics) armchair CNT obtaining the Young's modulus of defected CNTs and

comparing with defect free models

Brcic et al. [46] 2015 FEM 1.018e1.069 Studying the mechanical behavior of straight and waved

CNTs under the inuence of vacancy defects and of

obtaining the longitudinal elastic modulus structurally

defected models

Xi et al. [49] 2015 MD (applying the second-generation 0.74e0.83 Exploring the effect of radius and layer thickness on the

reactive empirical bond-order Brenner mechanical behavior of CNTs with zigzag-armchair-zigzag

potential coupled with the Lennard superlattice structures

eJones potentials)

They concluded that when the tube is twisted around its axis, a straight hetero-junction CNTs lies within the twisting angle of their

neck develops at the location of the defect, signaling possible initial homogenous CNTs in the torsion test. Furthermore, they

disintegration. In 2010, Huq et al. [57] presented an analysis of concluded that the shear properties of these nano-materials and

interactions between a pair of StoneeWales defects in a SWCNT their initial tubes change by increasing the chiral number of both

that had been subjected to an external torque. Their nding armchair and zigzag CNTs. Recently in 2014, Imani Yengejeh et al.

revealed that the deformation of CeC bonds is attributed to bond [62] introduced more impurities to the structure of hetero-

stretching and bending. Then, Talukdar and Mitra [58] represented junctions and investigated the shear and tensile properties of

the interaction of the in-plane CeC bond of an armchair (8,8) connected CNTs with atomic modications. The mechanical prop-

SWCNT under axial loading and twist, both for perfect and imper- erty of these imperfect nanotubes was numerically evaluated and

fect lattices. Finally, they computed the Young's modulus, shear compared with those of the perfect tubes. It was pointed out that

modulus, tensile strength, shear strength, ductility, stiffness and the existence of any type of imperfection in the structure of CNTs

toughness of the CNT. Lu and Hu [59] performed computational leads to a reduction in the Young's and shear modulus, and as a

simulations for predicting the mechanical behavior of CNTs based result, lower stiffness of these straight hetero-junctions. Raee and

on the molecular mechanics approach. They calculated the elastic Maleki Moghadam [63] conducted a comprehensive research on

stiffness of graphene and the rolling energy per atom through the the modeling and simulation of isolated CNTs and studied their

analysis of rolling a graphene sheet into a SWCNT to validate their mechanical behavior. They also reviewed different investigations

proposed method. Finally, the inuence of diameters and helicity available in literature in regards to their own ndings. Recently in

on Young's modulus and the shear modulus of SWNTs were 2015, Ghavamian et al. [64] investigated the elastic and shear

investigated. After that in 2013, Ghavamian et al. [60] conducted a moduli of perfect and imperfect hetero-junctions CNTs based on

study to investigate the shear behavior of CNTs, applying the clas- the linear-elastic deformation of these nanostructures. Their results

sical torsion test. To clarify the most appropriate approach, the demonstrated that armchair and zigzag CNTs possess the highest

shear modulus of CNTs was obtained through the simulation of two Young's and shear moduli, respectively. They observed that arm-

basic tests. First, they calculated the modulus directly from the chairearmchair and zigzagezigzag hetero-junction CNTs have the

torsion test. Second, a tensile test was simulated and the corre- highest Young's modulus among the hetero-junction CNTs, while

sponding Young's modulus and shear modulus of the nanotubes the shear modulus peaks were seen in zigzagezigzag tubes. The

were obtained for classical isotropic materials. After comparing most important investigations concerning the evaluation of shear

both results, they found that the CNTs behave rather as anisotropic modulus of atomically modied CNTs are presented in Table 2.

materials. In addition, they quantied the involved error based on

the isotropy assumption for different congurations, number of cell 3.3. Buckling behavior

walls and under the inuence of imperfections. Imani Yengejeh

et al. [61] continued their study, numerically investigating the Xin et al. [65] employed a MD simulation for the axial

shear behavior of numerous connected CNTs with pentagon and compression of both perfect and defective SWCNTs in 2007. They

heptagon pair defects. They found that the twisting angle of pointed out that the buckling and axially compressive properties of

100 S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107

Table 2

Highlighted studies concerning the prediction of shear modulus of atomically modied CNTs using different theoretical and experimental approaches.

Talukdar and Mitra [55] 2010 MD (using Brenner's 0.495e0.532 Representing the interaction of the in-plane CeC bond of an armchair

bond order potential) SWCNT under torsional loading for perfect and imperfect lattices

Ghavamian et al. [57] 2013 FEM (applying the classical 0.38e0.52 for zigzag CNT; Investigating the shear behavior of homogeneous CNTs and obtaining

torsion and tensile tests) 0.23e0.52 for armchair CNT The Young's and shear moduli of the nanotubes

Imani Yengejeh et al. [58] 2014 FEM 0.255e0.583 Numerically investigating the shear behavior of connected CNTs with 5

e7 pair defect and obtaining the twisting angle of straight hetero-

junctions

Imani Yengejeh et al. [59] 2014 FEM 0.23 for thinner tube xed; Evaluating the mechanical properties of atomically modied connected

0.31 for wider tube xed CNTs

Ghavamian et al. [61] 2015 FEM (computational 0.15e0.37 Simulating different types of CNT hybrids and investigating their

mechanics) mechanical properties under the inuence of atomic imperfections;

presenting simple relation for the prediction of the inuence of the

defects

SWCNTs obviously depend on the length, the chirality, the tem- moduli and critical compressive forces decrease. After that, Li et al.

perature and the initial structural defects of the tube. However, [72] performed MD simulations to investigate the compressive

they mainly focused on the behavior of SWCNTs and the investi- behavior of IMJs at nite temperature, while CNTs were also studied

gation concerning the mechanical properties of MWCNTs was not as reference based on their results. It was indicated that the strain

fully conducted. In 2009, Parvaneh et al. [66] examined the inu- rate effect is negligible within relating low loading-rate range but

ence of vacancy defects on the critical buckling loads and strains in the critical strain increases signicantly under higher loading rate.

CNTs under axial compression via a novel structural model. Basi- They also predicted that local deformation will be introduced at

cally, their model was a combination of other structural models higher environmental temperature. In addition, with increasing

designed to eliminate the deciencies inherent in individual ap- tube length, the instability mode of the IMJs transfers from shell

proaches. They nally compared their results with those from MD buckling to column buckling and the critical aspect ratio is lower

simulation. Later, in 2010, Kang et al. [67] employed both MD than that of CNTs due to presence of the StoneeWales defects. Later

simulation and FE analysis to investigate the buckling behavior of in 2014, Ziaee [73] studied the elastic buckling of atomically

IMJs under axial compression. They found that the critical modied SWCNTs under the transverse and axial compression

compressive strain is not sensitive to the strain rate of relatively low loading based on molecular structural mechanics. In his in-

range, but it exhibits a strong dependency on the strain rate under vestigations, the effect of length, radius, loading ratio and the po-

high speed compression. Their results of both the MD simulations sition of the vacancy defect on the buckling behavior of CNTs were

and the FE analysis indicated that the critical compressive strain is examined. It was found that the position of the pinhole-vacancy has

dependent upon the length, radial dimensions of the IMJs but a signicant inuence on the critical buckling load. After that, Imani

insensitive to the chirality of the IMJs. Ranjbartoreh and Wang [68] Yengejeh et al. [74] proposed a novel study to investigate the

employed a MD simulation to consider the critical buckling load, buckling behavior of connected CNTs with parallel longitudinal

pressure and strain of pristine and defected SWCNT under axial axes. They simulated several hetero-junctions and their intimal

compression. Furthermore, the effect of length, radius, chirality, homogeneous armchair and zigzag CNTs and evaluated their

StoneeWales defect and single vacancy on buckling behavior of structural stability by comparing the rst critical buckling load of

SWCNTs has been investigated. Obtained results indicated that the each hetero-junction and its initial homogeneous CNTs. They

axial stability of SWCNT reduces due to topological defects. Gha- concluded that, rst, the behavior of homogeneous CNTs under the

vamian and Ochsner [69] analyzed the effect of the defects on the cantilever boundary condition follows the assumption of the clas-

structural stability of SWCNTs and MWCNTs in 2012. For this pur- sical Euler equation. Second, the analytical solutions were in good

pose, they simulated two initial armchair and zigzag CNTs in their agreement with the FE simulation results. In addition, they showed

perfect forms. Afterwards, they obtained the critical buckling loads that the rst critical buckling load of hetero-junctions lies within

and examined the behavior of nanotubes. In the second phase, the value of the fundamental homogeneous CNT range. Their

three most likely atomic defects, that is, impurities, vacant sites and investigation needed to be taken into deeper consideration.

introduced perturbations of the ideal geometry in different Therefore, they continued their study and numerically investigated

amounts to the perfect CNTs were simulated. Finally, they investi- the effect of atomic imperfections, e.g. perturbation, doping and

gated the buckling behavior of imperfect CNTs as function of the vacancy defects, on the structural stability of CNT hybrids [75]. They

amount of defects. They mainly concentrated on the two basic simulated several connected homogeneous CNTs with parallel

armchair and zigzag models, and did not focus on the stability of longitudinal axes and with bending angles. Then, these tubes were

chiral tubes. Poelma et al. [70] conducted a study based on atomically modied and the effect of such defects was analyzed on

analytical continuum theory and MD simulation in order to the structural stability of nanotube hybrids. Moreover, they

investigate the buckling behavior of SWCNTs and MWCNTs. Then, compared the buckling behavior of imperfect tubes with perfect

they analyzed the effect of the vacancy defect position on the CNT ones. Based on their results, it was concluded that the existence of

critical buckling load. Their nding showed that defects at the end any type of atomic defects in the structure of nanotube hybrids lead

of the CNT and close to the middle of the CNT signicantly reduce to a lower critical load and as a result, lower structural stability of

the critical buckling load and strain appears to be small. Seyyed

CNTs. Ghavamian and Ochsner [76] investigated the mechanical

Fakhrabadi et al. [71] examined the elastic and buckling properties properties of atomically defected CNTs in their investigations

of carbon nanocones with different dimensions including different where Young's and shear moduli and critical buckling load of

apex angles and lengths. In addition, they explored the critical SWCNTs and MWCNTs were obtained. Based on their nding, it was

compressive forces of the axial buckling phenomenon of carbon concluded that the mechanical behavior of CNTs is dependent on

nanocones in detail. Their ndings indicated that with increasing the amount of impurities of these nanostructures. Recently in 2015,

the lengths and apex angles of the carbon nanocones, the elastic Ansari et al. [77] investigated the mechanical properties and

S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107 101

buckling behavior of functionalized CNTs employing MD simula- frequency of CNTs will decrease. After that, in 2013, Ghavamian and

tions. Their results indicated that as the polymer weight percentage

Ochsner [82] numerically investigated the natural frequency of

increases, Young's modulus and critical buckling load increases CNTs under the inuence of atomic defects. They simulated two

almost linearly for both regular and random polymers distribu- models of perfect zigzag and armchair CNTs based on the FEM.

tions, whereas critical strain decreases with different trends After introducing atomic defects to the structure of perfect tubes,

depending on the type of polymer distribution. They nally illus- the evaluated the vibrational properties of perfect and imperfect

trated the buckling mode shapes of the presented models. Ghava- CNTs. their results indicated that SWCNTs have a natural frequency

mian and Ochsner [78] continued their investigations and with a rather high value between 18.69 and 24.01 GHz. They also

evaluated the Young's and shear moduli and critical buckling loads concluded that the existence of atomic defects in the conguration

of different types of hetero-junction CNTs with the assumption of of CNTs leads to a lower value of natural frequency. Their investi-

linear-elastic deformation. They found that StoneeWales defect gation needed to be explored to MWCNTs. Thus, they broadened

reduces elastic and torsional strength of hetero-junction CNTs. their study and examined the vibrational properties of atomically

Furthermore, it was concluded that the highest critical buckling defected SWCNTs and MWCNTs [83]. In their investigation, CNTs

loads belong to armchairearmchair hetero-junction CNT and the from single to ve-walled were simulated in their perfect form.

lowest buckling strength was found with the hetero-junction Then, the vibrational behavior of these nano-structures was

structures with armchair-zigzag connections. Table 3 provides an investigated both analytically and computationally. In the next

overview on the most critical examinations for evaluating the step, three most likely and randomly scattered defects of different

critical buckling load of atomically modied CNTs. amounts were introduced to the perfect structures and their nat-

ural frequencies were evaluated in order to investigate the impact

3.4. Vibrational behavior of these defects on the vibrational stability of CNTs. They nally

concluded that development of these types of defects in the

In 2010, Filiz and Aydogdu [79] studied the axial vibration of conguration of the tubes leads to a reduction in the vibrational

CNTs hetero-junctions applying nonlocal rod theory. They consid- stability of CNTs. Espejel-Morales et al. [84] presented a systematic

ered the CNTs with different lengths, chirality and diameters in the density of mechanical properties of SWCNT, pristine and doped

hetero-junctions. It was revealed that by joining CNTs, good with B or N. They applied the electron localization function, charge

vibrational properties are obtained by suitable selection of pa- density, electronic partial density of states and band structures to

rameters. In 2011, Muc and Chwa [80] proposed an analytical investigate the impurity effects on the electronic structures. By

molecular structural mechanics model in order to derive longitu- calculating the radial breathing mode, they analyzed the inuence

dinal and circumferential moduli of CNTs. Their approach was of impurities in the vibrational frequencies. Recently in 2014,

based on the eigen-frequencies analysis of the proposed compu- Maleki Moghadam et al. [85] explored the inuence of the Stone-

tational model. Applying the introduced model, they explained the eWales defect on the fundamental frequency of SWCNTs using

effect of CNTs geometry and structure on Young's moduli. Ebrahim molecular mechanics methods. Their ndings revealed that the

Zadeh et al. [81] investigated the inuence of vacancy defects on frequencies are dependent on boundary conditions, CNT length,

the fundamental frequency of SWCNTs in 2012. They also studied chirality and defect position. Their models showed different

the relation between the aspect ratio and frequency of pure and behavior by introducing the number of defects. Shariati et al. [86]

defected CNT with removing the carbon atoms of tubes. In addition, investigated the effect of arrangement and distribution of defects

the effect of varying the position of one defect in the length of the on the natural frequency of CNTs with respect to different chirality

nanotubes on the fundamental frequency was examined. According and boundary conditions. They examined the inuence of vacancy

to their ndings, it was revealed that the existence of vacancy de- and StoneeWales defects on the vibrational behavior of CNTs. It

fects mostly affects the fundamental frequency of CNTs. Further- was shown that the gathered vacancy defects cause a reduction in

more, by increasing the number of defects, the fundamental the fundamental frequency of the tubes, especially in the case of

Table 3

Highlighted studies concerning the prediction of critical buckling load of atomically modied CNTs using different theoretical and experimental approaches.

Xin et al. [62] 2007 MD (using dihedral 52 for armchair CNT and Studying the axial compression of both perfect and defective SWCNTs;

potential and the 55 for zigzag CNT buckling properties of CNTs depend on the length, the chirality and the initial

LennardeJones structural defects of the tube

potential)

Parvaneh et al. [63] 2009 Structural mechanics 50e84 for zigzag CNTs; Examining the inuence of vacancy defects on the critical buckling loads and

approach 33e95 for armchair CNTs strains in CNT under axial compression

Ranjbartoreh and 2011 MD 0.74e1.003 for armchair CNTs; Obtaining the critical buckling load, pressure and strain of pristine and

Wang [65] 0.329e0.365 For zigzag CNTs defected SWCNT under axial compression; the axial stability of SWCNT

reduces due to topological defects

Ghavamian and 2012 FEM 2.062e3.92 for SWCNTs; Analyzing the inuence of atomic defects on the structural stability of

Ochsner [66] 173.44e202.6 for Five-walled SWCNTs and MWCNTs.

CNTs

Seyyed Fakhrabadi 2012 Molecular mechanics 70e140 for different nanocones Exploring the elastic and buckling properties of carbon nanocones with

et al. [68] simulation different dimensions including various apex angles and lengths; by increasing

the lengths and apex angles of the carbon nanocones, the elastic moduli and

critical compressive forces decrease

Ziaee [70] 2014 Molecular structural 2.5e28 Studying the elastic buckling of atomically modied SWCNTs under the

mechanics transverse and axial compression; the position of the pinhole-vacancy has a

major effect on the critical buckling load

Ansari et al. [74] 2015 MD 10e80 Investigating the mechanical properties of functionalized CNTs; Young's

modulus and critical buckling increase linearly as the polymer weight

percentage increases

102 S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107

xex boundary condition. In addition, it was observed that the composite materials. After that, Wang [90] proposed the effective

effect of the rst vacancy defect is signicantly more than the rst in-plane stiffness and bending rigidity of armchair and zigzag CNTs

StoneeWales defect. Imani Yengejeh et al. [87] continued the pre- through the analysis of a representative volume element (RVE) of

vious studies and investigated the vibrational response of hetero- the graphene layer via continuous elastic models. He also derived

junction CNTs with pentagon and heptagon pair defect. They ob- the corresponding bending rigidity of CNTs by considering the

tained the natural frequency of nanotube hybrids and also inversion contributing to the bending resistance of the graphene

compared them with those of initial homogeneous CNTs. They sheets from a large deection analysis in the elastic plate model of

pointed out that the natural frequency of hetero-junctions lies the CNT. His results indicated that the in-plane stiffness of zigzag

within the value of their constituent CNTs. In addition, it was shown CNT is more sensitive to the size of the tube than that of armchair

that any change in the tube diameter will affect the natural fre- nanotube. In addition, it was concluded that the effect of axial

quency of hetero-junctions and their fundamental homogeneous deformation on the derivation of bending rigidity is more obvious

tubes. Finally, they proved that the armchair CNTs are more stable in armchair nanotubes than that in zigzag CNTs at bigger curvature

in their vibration due to possessing higher natural frequencies than of bending. A few years later in 2009, Kuang and He [91] quanti-

zigzag nanotubes. Georgantzinos et al. [88] developed an atomistic tatively investigated the effect of chemical functionalization on the

structural mechanics approach to examine the effect of imperfec- axial Young's moduli of SWCNTs based on molecular mechanics

tions due to atom vacancy on the vibrational characteristics of simulation. They obtained the axial Young's moduli of both func-

SWCNTs. The effect of vacancy defects on the vibrational behavior tionalized and nonfunctionalized SWCNTs. In addition, they

was explored for different defect positions, nanotube diameters examined the inuence of the number and distribution density of

and support conditions. According to their results, the natural fre- the sp3-hybridized carbon atoms and the radius and chirality of the

quency is decreased as the size of imperfection increases. Table 4 SWCNTs on Young's moduli. Based on their nding, it was indicated

identies the most inuential studies conducted for obtaining the that Young's moduli depends strongly on the chirality of the

natural frequencies of atomically modied CNTs. SWCNTs and the distribution density of the sp3-hybridized atoms.

Khandoker et al. [92] reported the experimental tensile strength of

4. Research work on structural modication spinnable MWCNTs in 2011. Those experiments were conducted

applying a nano tensile testing stage inside a scanning electron

A review concerning the mechanical properties of CNTs with microscope (SEM). They used an atomic force transducer to mea-

structural modications is presented in the following. sure the desired mechanical properties. They calculated the frac-

ture strength using the determined applied force and the diameter

4.1. Axial stiffness of the CNT. It was nally shown that the tensile strength of the

tested spinnable CNTs were at least 20e90 GPa with a mean value

In 2004, Pantano et al. [89] presented an effective FE approach of 48 GPa considering a solid cross sectional area. After that, in

for modeling the structure and the deformation of SWCNTs and 2012, Liu et al. [93] investigated the mechanical behavior of the

MWCNTs. First, they modeled individual tubes using shell ele- CNTs by using a generalized molecular structure mechanics

ments, where a specic pairing of elastic properties and the me- approach. Their nding revealed that the number of junctions

chanical thickness of the tube wall is identied to enable successful along the circumferential direction of the CNTs and length of the

modeling with a shell theory. Then, the incorporation and role of an constituent SWCNTs both have an obvious effect on the deforma-

initial internal distributed stress through the thickness of the wall tion process of the nanotubes. Moreover, they evaluated the size-

were discussed. Finally, the effect of van der Waals forces, crucial in and shape-dependence of the Young's modulus and Poisson's ratio

MWCNTs and in tube/tube or tube/substrate interactions, was of these nanostructures by the generalized molecular structure

simulated by the construction of special interaction elements. Their mechanics method. Later on, Rong et al. [94] presented a two-scale

approach was then applied to the bending of MWCNTs, and then damage mechanics model to investigate the effects of twisting on

the deformed congurations were compared to corresponding the mechanical properties of CNTs. Their numerical ndings

high-resolution images from experiments. Their results demon- demonstrated that the developed damage mechanics model can

strated that the proposed FEM could provide a valuable tool for effectively describe the elastic and plastic-like behavior of CNTs

studying the mechanical behavior of MWCNTs as single entities, as during the tension process. Their results could be applied to guide

well as their effectiveness as load-bearing entities in nano- the mechanical twisting of CNTs to improve their properties and

Table 4

Highlighted studies concerning the prediction of natural frequency of atomically modied CNTs using different theoretical and experimental approaches.

Ebrahim Zadeh 2012 Three-dimensional 78e82 for armchair CNTs; Investigating the vibrational behavior of SWCNTs under the inuence of

et al. [78] FEM 84e87 for zigzag CNTs vacancy defects; deriving the relation between the aspect ratio and frequency of

pure and defected CNT

Maleki Moghadam 2014 FEM (employing 45 for zigzag CNT; Exploring the effect of the StoneeWales defect on the natural Frequency of

et al. [82] Timoshenko beam 47.5 for armchair CNT SWCNTs; frequencies are dependent on boundary conditions, CNT length,

elements) chirality and defect position

Shariati et al. [83] 2014 FEM (using non-linear 187e681 Investigating the effect of arrangement and distribution of defects on the natural

mass-spring model) frequency of CNTs with respect to different chirality and boundary conditions;

the gathered vacancy defects cause a reduction in the fundamental frequency of

the tubes

Imani Yengejeh 2014 FEM 8.47e42.89 for armchair CNTs; Evaluating the vibrational behavior of hetero-junction CNTs with pentagon and

et al. [84] 12.56e31.36 for zigzag CNTs heptagon pair defect; the natural frequency of hetero-junctions lies within the

value of their constituent CNTs

Georgantzinos 2014 Atomistic structural 105.5e702 Examining the inuence of atomic imperfections on the vibrational

et al. [85] mechanics approach characteristics of SWCNTs; the natural frequency is decreased as the size of

imperfection increases

S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107 103

help optimize the mechanical performance of CNT-based materials. (3,3)e(3,3) junctions, then the bonds break at individual nano-

Recently, Imani Yengejeh and Ochsner [95] examined the tensile tubes, rather than at the junction region, and the original bonding

behavior of perfect and spiral congurations of CNTs. They pointed structures around the junctions remain. Nevertheless, for some

out that any structural modication, spiral shape in particular, in (3,3)e(3,3) junctions and X-junctions formed by (5,0)e(5,0) tubes,

the structure of perfect tubes reduces the structural stiffness of the the bonds at the junction region break and are reconstructed,

CNTs. Furthermore, it was indicated that Young's modulus of per- which results in the transformation of a 3D junction into a 2D type.

fect CNTs decreases by introducing spiral distortion. The most Afterwards, Jiang and Guo [101] presented an analytical study in

critical investigations concerning the evaluation of the Young's order to investigate the elastic properties of single-walled boron

modulus of structurally modied CNTs are categorized in Table 5. nitride nanotubes via a molecular mechanics model. They derived

closed-formed expressions for Young's modulus, Poisson's ratio and

4.2. Torsional stiffness surface shear modulus as functions of the nanotube diameter. Their

ndings were helix angle sensitive and comparable to those from

In 2004, Wang and Wang [96] investigated the bending me- ab initio calculations. Recently in 2015, Imani Yengejeh and

chanical properties of CNTs. They applied an advanced nite

Ochsner [102] simulated perfect and structurally modied CNTs

element analysis (FEA) to simulate the formation of rippling which and examined their mechanical behavior through performing

is the appearance of wavelike distortion on the inner arc of the bent torsional tensile tests. The tensile and shear behavior of imperfect

CNTs. A nonlinear bending momentecurvature relationship was CNTs was numerically evaluated and compared with the behavior

obtained, which indicated the tangential stiffness greatly decreases of the perfect tubes. They gured out that the existence of any type

when rippling appears. Their ndings could be used to explain the of imperfection in the conguration of CNTs leads to a lower tensile

phenomenon and conclusion of the resonant experiment and shear resistance of perfect tubes. For categorizing the most

measuring the Young's modulus of CNTs. They continued their critical examinations concerning the evaluation of the shear

investigation and dealt with the nonlinear momentecurvature modulus of structurally modied CNTs, Table 6 is presented in the

relationship during bending of nanotubes, and the effect of ripple following.

formation on the bending modulus in 2005 [97]. They nally

concluded that the rippling deformation can indeed result in the 4.3. Buckling behavior

fact that the effective bending modulus of CNTs decrease substan-

tially with increasing diameter. Their ndings would be helpful to In 2006, Houliara and Karamanos [103] focused on the struc-

guide further experiments investigating the bending behavior of tural stability of long uniformly pressurized thin elastic tubular

CNTs. In 2006, elastic properties of SWCNTs were examined shells subjected to in-plane bending. They also examined the in-

experimentally and computationally [98]. The main concentration uence of pressure as well as the effects of radius-to-thickness

was particularly paid on the evaluation of Young's and shear moduli ratio, initial curvature and initial ovality on the bifurcation

of SWCNT. It was pointed that within the linear regime, the Young's moment, curvature and the corresponding wavelength. In addition,

and shear moduli of SWCNT have been established to be constant. they demonstrated the local character of buckling in the circum-

Later on, in 2010, Guo and Zhang [99] conducted a study to ferential direction, especially for thin-walled tubes. Their obser-

investigate the bending stiffness of SWCNTs and some related is- vation motivated the development of a simplied analytical

sues by the combined use of the molecular mechanics model and formulation for tube bifurcation, which considers the presence of

the deformation mapping technique. In addition, they presented an pressure, initial curvature and ovality, and results in closed-form

analytical expression for the bending stiffness of SWCNTs. It was expressions of very good accuracy, for tubes with relatively small

indicated that the bending stiffness of a SWCNT is approximately initial curvature. Later on, Mylvaganam et al. [104] investigated the

proportional to the cube of its radius which agrees well to their deformation mechanism of a SWCNT inn pure bending. They

existing MD simulation and continuum theory based results. One of applied the MD analysis and continuum mechanics characteriza-

the most important modied CNTs are X-junction tubes and the tion together to achieve a deeper understanding. They found that at

investigation of the mechanical behavior of these nano-structures a bending angle of 24 the CNT buckles locally, forming a kink in the

is highly crucial. In 2010, Liu et al. [100] performed a MD simula- middle of the nanotube. They concluded that by increasing the

tion to investigate the deformation behavior of ve types of X- bending angle, the kink progresses along the nanotube and varies

junctions made from ultrathin SWCNTs. According to their exper- its shape in both longitudinal and circumferential dimensions. They

iments, if the junction is strong, as is the case with certain also found that the kink deformation inuences the load bearing

Table 5

Highlighted studies concerning the prediction of Young's modulus of structurally modied CNTs using different theoretical and experimental approaches.

Pantano et al. [86] 2004 FEM (continuum approach) 4.84 Modeling individual tubes using shell elements; investigating the

inuence of van der Waals forces in MWCNTs

Wang [87] 2004 Continuum model (stretching 0.54e0.57 for armchair CNTs; Deriving the corresponding bending rigidity of CNTs by considering

and rotating springs, 0.2e0.8 for zigzag CNTs the inversion contributing to the bending resistance of the graphene

equivalent continuum plate) sheets; the in-plane stiffness of zigzag CNT is more sensitive to the

size of the tube than that of armchair nanotube

Khandoker et al. [89] 2011 Nano tensile testing stage 0.2e0.9 Reporting the experimental tensile strength of spinnable MWCNTs;

using an atomic force transducer to measure the desired mechanical

properties

Liu et al. [90] 2012 Molecular structure mechanics 2.4e2.35 Investigating the mechanical behavior of CNTs exploring the effect

of the deformation process of the nanotubes; evaluating the size-

and shape-dependence of the Young's modulus and Poisson's ratio

Imani Yengejeh 2014 FEM 1.05 for armchair CNT; Examining the tensile behavior of perfect and spiral nanotubes;

and Ochsner [92] 1.01 for zigzag CNT; structural modications reduce the stiffness of the CNTs

0.84e1.42 for chiral CNT

104 S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107

Table 6

Highlighted studies concerning the prediction of shear modulus of structurally modied CNTs using different theoretical and experimental approaches.

Wang and Wang [93] 2004 FEM 0.2e0.8 Studying the bending mechanical properties of CNTs; obtaining a non-

linear bending momentecurvature relationship

Wang et al. [94] 2005 FEM 0.5e0.98 Dealing with the non-linear momentecurvature relationship during

bending of CNTs; the effective bending modulus of CNTs decrease

substantially with increasing diameter

To [95] 2006 FEM (employing the 0.47e0.475 Experimentally and computationally exploring the elastic properties of

classical theory of SWCNTs; within the linear regime, the Young's and shear moduli of

elasticity) SWCNT have been established to be constant

Guo and Zhang [96] 2010 Molecular mechanics 0.9e1.23 Investigating the behavior of CNTs and presenting an analytical

(the deformation expression for the bending stiffness of SWCNTs; bending stiffness of a

mapping techniques) SWCNT is approximately proportional to the cube of its radius

Jiang and Guo [96] 2011 Molecular mechanics 0.07e0.1 Deriving closed-formed expressions for Young's modulus, Poisson's

ratio and surface shear modulus as functions of the nanotube diameter

Imani Yengejeh 2015 FEM 0.09e0.64 for armchair CNTs; Simulating imperfect CNTs and studying their mechanical behavior; any

and Ochsner [99] 0.13e0.9 for zigzag CNTs type of imperfection reduces the tensile and shear resistance of perfect

tubes

capacity of the nanotube. The bending buckling behavior of lower than straight tubes. Nevertheless, it was more highlighted in

SWCNTs, double-walled CNT (DWCNTs) and MWCNT was investi- the case of zigzag and armchair CNTs with higher chirality. In order

gated in 2008, employing a modied FEM. Yao et al. [105] carried to highlight the most critical investigations for obtaining the critical

out extensive simulation to investigate the buckling behavior of buckling load of structurally modied CNTs, the following Table 7 is

these CNTs under bending deformation. They also established presented.

explicit relationships between the critical bending buckling cur-

vature and the diameter of CNTs. In addition, they examined the 4.4. Vibrational behavior

inuence of interlayer van der Waals forces on the bending prop-

erties of MWCNTs. Finally they investigated the effect of the layer In 2008, Kahaly and Waghmare [109] investigated the vibration

numbers on the buckling load and critical bending angle of response of SWCNTs. By obtaining the correlation between vibra-

MWCNTs. In 2012, Silvestre [106] presented a study on the suit- tional modes of a graphene sheet and of the nanotube, they found

ability of shell models to access the buckling behavior of SWCNTs out that rolling of the sheet results in mixing between modes and

under torsion. He pointed that there is a transitional aspect ratio changes in vibrational spectrum of graphene. They concluded that

(length-to-diameter ratio) that separates the group of short CNTs, the radial breathing mode softens with decreasing curvature. Later

mostly inuenced by end conditions, from the group of long CNTs, in 2009, Hashemnia et al. [110] examined the vibrational behavior of

mostly inuenced by wrapping deformation. Recently in 2015, single-layered graphene sheets and SWCNTs with different bound-

Imani Yengejeh et al. [107] simulated several types of SWCNTs, ary conditions. They determined the fundamental frequency by

DWCNT and MWCNTs with perfect and structurally modied form means of molecular structural mechanics method. They presented

and investigated their buckling response. In the case of imperfect their results as diagrams starting fundamental frequencies of CNTs

tubes, they introduced geometrical modications such as twisting and graphene sheets with respect to aspect ratios. Their ndings

angle and distortion along the longitudinal and radial axes to the indicated that the fundamental frequency decreases as the aspect

structure of CNTs. They concluded that the rst critical buckling ratio increases. Therefore, it is preferred to use nanotubes and gra-

load of both perfect armchair and zigzag CNTs increases by phene sheets with lower aspect ratios for dynamic applications in

increasing the tube diameter. Furthermore, it was shown that by order to prevent resonance and dynamic change. Mayoof and

increasing the length of the tubes, the critical buckling load of the Hawwa [111] expanded the previous investigations and studied the

tubes reduces dramatically while addition of further walls in- nonlinear vibration of a CNT with waviness along its axis. They also

creases the critical buckling load and structural stability of CNTs. analyzed the dynamic response of the resonator in the context of the

They continued their study and investigated the buckling behavior bifurcation theory. In 2010, Xia and Wang [112] explored the vi-

of curved tubes with bending angle [108]. They also compared both bration characteristics of uid-conveying CNTs with curved longi-

analytical and computational results in the case of straight CNTs. tudinal shape. Applying existence investigations, they obtained the

They concluded that the structural stability of curved CNTs is much natural frequencies of curved CNTs and compared with those of

Table 7

Highlighted studies concerning the prediction of critical buckling load of structurally modied CNTs using different theoretical and experimental approaches.

Houliara and 2006 FEM (detecting bifurcation 0.2e0.9 Concentrating on the structural stability of long uniformly pressurized

Karamanos [100] on the pre-buckling thin elastic tubular shells; motivating the development of a simplied

ovalization equilibrium analytical formulation for tube bifurcation, which considers the

path) presence of pressure, initial curvature and ovality, and results in closed-

form expressions of very good accuracy, for tubes with relatively small

initial curvature

Imani Yengejeh 2015 FEM 0.122e17.3 for armchair CNTs; Simulating geometrical modied CNTs and evaluating the stiffness

et al. [104] 0.588e3.34 for zigzag CNTs change for different modications; combined loading lead to reduced

stiffness value for SWCNTs and MWCNTs

Imani Yengejeh 2015 FEM 0.172e15.92 for armchair CNTs; Investigating the buckling behavior of curved CNTs; comparing the

et al. [105] 0.405e13.87 for zigzag CNTs analytical and computational results; the structural stability of curved

CNTs is much lower than straight tubes

S. Imani Yengejeh et al. / Composites Part B 86 (2016) 95e107 105

straight tubes. Their nding revealed that CNTs with circular-curved evaluated the natural frequencies of the CNTs and compared with

longitudinal shape are unconditionally stable even for a system with those of the perfect tubes. They found that such macroscopic

sufciently high ow velocity. Later in 2012, Seyyed Fakhabadi et al. modications reduce the natural frequency and, as a result, lower

[113] examined the vibrational behavior of two and three junctioned vibrational stability of CNTs. However, it was pointed that the trend

CNTs with different geometry and boundary conditions. They car- was more visible for the nanotubes with higher chirality. Amjadi-

ried out the MD approach to the modal analysis of the mentioned pour et al. [118] investigated the vibrational behavior of defective

nano-structures and the presented results covered the natural fre- curved CNTs based on MD simulations. They examined the effect of

quencies and their corresponding mode shapes. In addition, they curvature, vacancy defect and aspect ratio on natural frequency of

discussed the natural frequencies of the three junctioned CNTs with SWCNTs. Their results showed that critical waviness is sensitive to

different lengths and diameters and various boundary conditions. the aspect ratio and indicated that by increasing the length of

Mehdipour et al. [114] employed continuum mechanics and an SWCNTs, the critical waviness ratio increases.

elastic beam model to investigate the effect of the curvature or Recently in 2015, Imani Yengejeh et al. [24] provided a

waviness of the CNT on the nonlinear frequency. Furthermore, they comprehensive categorization of CNTs and other conguration of

obtained the amplitude frequency response curves of the nonlinear nano-structures in terms of representative illustrations consisting

free vibration for a curved SWCNT. Finally, they examined the in- of CNTs and their atomic as well as macroscopic modications. They

uence of shear foundation modulus, surrounding elastic medium, introduced the characterizations of CNTs and their modications by

radius and length of the curved CNT on the amplitude frequency making appropriate gures. In addition, they addressed the mate-

response characteristics. They concluded that the combined effects rials and geometric properties of these nano-congurations. To

of waviness and stretching nonlinearity on the nonlinear frequency highlight the most inuential studies for examining the vibrational

of the curved SWCNT with a small outer radius were larger than the behavior of structurally modied CNTs, Table 8 is presented in the

straight one. In 2014, Mohammadi et al. [115] conducted an inves- following.

tigation of a nanobeam with geometrical imperfections that is

embedded in an elastic foundation. They also presented the exact 5. Conclusion

post-buckling solution for both the straight and curved nanobeam.

Their results indicated that the bifurcation diagram of a curved This review presents numerous investigations in the existing

nanobeam with initial sinusoidal conguration is similar that of a literature in terms of static, buckling, and free vibration analysis of

straight nanobeam in its nearest buckling mode. Further in- structural and atomically modied CNTs. An effort has been made

vestigations were conducted by Imani Yengejeh et al. [116] where for including all important contributions to this eld of research

the vibrational behavior of several types of SWCNTs was investi- and to highlight the most prominent literature available for me-

gated numerically in 2014. They introduced bending angles to the chanical investigation of imperfect CNTs. In addition, a compre-

conguration of CNTs and obtained their eigen-modes and eigen- hensive categorization of modied CNTs is provided. It was

frequencies of these deformed tubes. It was shown that the natu- addressed that these modications divided into two major cate-

ral frequency of CNTs with higher chirality decreases via introducing gories. Atomic modications, e.g. perturbation, doping and carbon

bending angles. Nevertheless, the inuence of this structural vacancy which impure the structure of the tubes. The other type of

modication on the natural frequency of smaller diameter CNTs was imperfection is called structural or macroscopic modication, such

almost negligible. They expanded their investigation and examined as curvature, twisting and spiral deformation which affects the

the impact of other structural imperfection, i.e. twisting and mechanical behavior of the CNTs. All mentioned studies covered

distortion, on the vibrational response of CNTs [117]. They intro- the investigation of mechanical properties of modied CNTs,

duced three kinds of structural modications, i.e. twisting angle, Z- numerically, computationally as well as experimentally which

distortion along the longitudinal axis and XY-distortion along the allowed a realistic prediction of the mechanical behavior of

radial axis, to the conguration of the models. Afterwards, they defected CNTs in a closer form to those found in reality. It was

Table 8

Highlighted studies concerning the prediction of natural frequency of structurally modied CNTs using different theoretical and experimental approaches.

Mayoof and 2009 Continuum mechanics 18e80 Studying the nonlinear vibration of a CNT with waviness along its

Hawwa [108] (bifurcation theory) axis; analyzing the dynamic response of the resonator in the context

of the bifurcation theory

Xia and Wang [109] 2010 Developing a nonlocal 3e14 Exploring the vibration characteristics of uid-conveying CNTs with

EulereBernoulli beam curved longitudinal shape; obtaining the natural frequencies of

model (using a transfer curved CNTs and compared with those of straight tubes; CNTs with

matrix method) circular-curved longitudinal shape are unconditionally stable

Seyyed Fakhabadi 2012 Molecular mechanics 12.6e13.3 Investigating the vibrational behavior of two and three junctioned

et al. [110] CNTs with different geometry and boundary conditions; exploring

the natural frequencies of the three junctioned CNTs with different

lengths and diameters

Imani Yengejeh 2014 FEM 8.47e42.89 for armchair CNTs; Introducing bending angles to the conguration of CNTs and

et al. [113] 12.56e31.36 for zigzag CNTs obtaining their eigen-modes and eigen-frequencies; the natural

frequency of CNTs with higher chirality decreases via introducing

bending angles

Imani Yengejeh 2015 FEM 10.01e41.42 for armchair CNTs; Exploring the impact of structural imperfection, i.e. twisting and

and Ochsner [114] 13.26e30.06 for zigzag CNTs distortion, on the vibrational response of CNTs; macroscopic

modications reduce the natural frequency and, as a result, lower

vibrational stability of CNTs

Amjadipour et al. [115] 2015 MD 25e200 Examining the effect of curvature, vacancy defect and aspect ratio

on natural frequency of SWCNTs; critical waviness is sensitive to the

aspect ratio; by increasing the length of SWCNTs, the critical

waviness ratio increases

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