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Article history:
Received 28 June 2011
Received in revised form 20 July 2011
Accepted 22 July 2011
Available online 28 August 2011
Keywords:
Carbon nanotubes
Graphene sheets
Nonlocal continuum theory
Modeling and simulations
Small scale effect
a b s t r a c t
This paper reviews recent research studies on the application of the nonlocal continuum theory in modeling of carbon nanotubes and graphene sheets. A variety of nonlocal continuum models in modeling of
the two materials under static and dynamic loadings are introduced and reviewed. The superiority of
nonlocal continuum models to their local counterparts, the necessity of the calibration of the small-scale
parameter, and the applicability of nonlocal continuum models are discussed. A brief introduction of the
nonlocal beam, plate, and shell models is particularly presented. Summary and recommendations for
future research are also provided. This paper is intended to provide an introduction of the development
of the nonlocal continuum theory in modeling the two nano-materials, review the different nonlocal continuum models, and inspire further applications of the nonlocal continuum theory to nano-material
modeling.
2011 Elsevier B.V. All rights reserved.
1. Introduction
Nanoscience and nanotechnology have opened a new area in
materials science, engineering, chemical, medicine, electronics,
biomaterials and energy production leading to the next industrial
revolution to begin. Carbon nanotubes (CNTs) [1] and graphene
sheets (GSs) [2] are two of the nano-materials which have great
potential in designs of new sensors, gas detection and composite
materials and arouse much attention among communities. The
superior mechanical, electronic and thermal properties of the
two nano-materials make them instrumental for the advancement
and innovation in wide potential applications [313], such as gas
detection, graphene transistors, solar cells, ultra-capacitors, mammalian and microbial detection, diagnosis devices and ultrastrength composite materials.
Besides experimental efforts [13,14] which may be formidable
and expensive at the nano-scale, there are three main approaches
for modeling of nanostructures: (a) atomistic modeling, (b) hybrid
atomisticcontinuum mechanics and (c) continuum mechanics.
Atomic modeling includes techniques such as classical molecular
dynamics (MD), tight-binding molecular dynamics (TBMD) and
the density functional theory (DFT) [1520]. Hybrid atomistic
continuum mechanics allows one to directly incorporate
interatomic potential into the continuum analysis. This can be
accomplished by equating the molecular potential energy of a
Corresponding author.
E-mail address: q_wang@umanitoba.ca (Q. Wang).
0927-0256/$ - see front matter 2011 Elsevier B.V. All rights reserved.
doi:10.1016/j.commatsci.2011.07.040
304
wE x
1 Px l3
Px3 Plx
Hx l Pe0 a2 x lHx l
6
6
2
EI
1
1 Px l3
Px3 Plx
wT x
Hx l Pe0 a2 x lHx l
EI
6
6
2
XL2
EI
Px Pl xHx l
2
they concluded that scale effects would not manifest for typical
micro-systems such as microelectromechanical systems (MEMS)
which have lengths of the order lm. From the simulation results,
they concluded that the scale effect manifests itself the most at
the location of the point force. In addition, the shear effect is evident for nanostructures indicating the importance of applying
the Timoshenko beam theory in static analysis of shorter nanostructures. They concluded that the nonlocal Timoshenko beam
theory does not introduce additional scale effect on basis of the
nonlocal EulerBernoulli beam theory for cantilever and simply
supported nano-rods or tubes. However, it does introduce additional scale effect for fixedfixed nano-beams.
Nano-beams as potential nano-switches subjected to a transverse electrostatic force within the framework of nonlocal elasticity theory to account for the small-scale effect were studied by
Yang et al. [46]. The transverse electrostatic force from an applied
voltage and intermolecular force was approximated as a linear
distributed load model. Closed-form solutions were obtained for
cantilever and fixedfixed nano-beams. It was found that the
small-scale effect contributes to the pull-in instability and freestanding behavior of cantilever and fixedfixed nano-beams in
quite different ways.
2.2. Buckling of CNTs and GSs
The buckling analysis of CNTs subjected to axial loading using
the nonlocal continuum theory was investigated by Sudak [38].
In the study, a model based on nonlocal continuum mechanics
for the column buckling of multi-walled carbon nanotubes
(MWCNTs) was presented which clearly demonstrated that
small-scale effects significantly contribute to buckling solution of
MWCNTs. Explicit expressions for the critical buckling load and
strain were derived for axially loaded rods/tubes based on the nonlocal Timoshenko beam theory [39,47]. Wang et al. [48] developed
nonlocal elastic beam and shell models to investigate the smallscale effect on buckling analysis of CNTs under compression. They
derived a general buckling solution for CNTs with a length of L and
any boundary via nonlocal beam model as
P
1
Pl 1 e0 a2 bp2
L
2
where P l EI bLp is the buckling solution for a beam structure via
the local elastic beam theory and EI is the bending rigidity. b has different values given CNTs different boundary conditions. For example,
the buckling solutions for the first three modes are: b = 1, 2, 3 for a
pinnedpinned CNT, b 12 ; 32 ; 52 for a cantilevered CNT, and b = 2, 4,
6 for a fixedfixed CNT. From Eq. (3), it is obvious that the scale effect
is indispensable in providing more accurate results for mechanical
behaviors of CNTs with lengths of the order nm via continuum
mechanics. On the other hand, the small-scale effect is negligible
for CNTs with lengths of the order lm. The explicit solutions for CNTs
buckling analysis via nonlocal continuum mechanics provided
benchmark for scale effect studies of CNTs mechanical analyses.
The nonlocal Timoshenko beam model was implemented [49] to
investigate an axial buckling of single-walled CNTs (SWCNTs)
embedded in an elastic medium, and the influence of the small-scale
effect and stiffness of the surrounding medium was investigated.
Zhang et al. [50] presented an assessment of nonlocal beam and shell
models in the prediction of critical buckling strains of axially loaded
SWCNTs by use of MD simulation results for SWCNTs.
A nonlocal multiple-shell model was developed for the elastic
buckling of MWCNTs under uniform external radial pressure on
the basis of the nonlocal elasticity [51,52]. Zhang et al. [53] employed the hybrid nonlocal beam model to investigate the bending,
buckling and vibration responses of CNTs. The radial and bending
305
306
xn
1
q
x0n
n2 p2
1
e0 a2
2
q
2 2
EI
where x0n n Lp2
qA is the resonant frequency of the CNT obtained
on the basis of the classical or local EulerBernoulli beam theory; EI
is the bending rigidity; q is the mass density; and A is the cross sectional area of the CNT. Fig. 2 shows the small-scale effect on the fundamental natural frequency of SWNTs with lengths of L = 10, 15,
20 nm [70]. As shown in Fig. 2, the small-scale effects decrease by
an increase in the length of a CNT. The governing equations were
solved analytically for the vibration frequencies of beams with various end conditions [71]. The axial vibration frequencies were
shown to be highly over estimated by the local rod model, which
ignores the effect of small length scale [7274]. A nonlocal Timoshenko beam model was reformulated to study nonlinear free
vibration of SWCNTs based on von Karman geometric nonlinearity
and Eringens nonlocal elasticity theory [75].
Duan et al. [76] calibrated the scale coefficient of the nonlocal
Timoshenko beam theory for a free vibration of SWCNTs by using
Fig. 2. Effect of the small length scale on the frequency at the first mode in a SWNT
[70].
307
Fig. 4. The dispersion relation of the armchair (5, 5) carbon nanotube (local EulerBernoulli beam model (E), nonlocal EulerBernoulli beam model (NE), local Timoshenko
beam model (T), nonlocal Timoshenko beam model (NT) and MD simulation (MD)). (a) The phase velocity of flexural wave versus wave number. (b) The zoom of (a); (c) The
phase velocity of flexural wave versus wave length. (d) The zoom of (c) [91].
308
occurs [108]. This is manifested as the region where the wavenumber tends to infinite or wave speed tends to zero. In sum, more
studies are required on wave propagation in graphenes, especially
on calibration of the scale coefficient by use of atomistic simulation
or experimental results.
4. A re-visit on nonlocal elastic models
Nonlocal continuum mechanics models have been found to successfully describe mechanical behaviors of nano-materials. The results obtained by the nonlocal continuum models have been
compared with those from MD simulations [76,77,36,105,106]. Inspired by the pioneering works, many continuum models, including beam models, cylindrical shell models, and plate models
based on the nonlocal continuum theory, have been developed
and applied in studying static and dynamic analysis of CNTs and
GSs. In the following section, we provide a general introduction
of the elastic beam, shell, and plate models for analysis of CNTs
and GSs.
4.1. General theory
According to the nonlocal theory by Eringen [43,44], the stress
at a reference point x in an elastic continuum not only depends
on the strain at the point but also on strains at every point of the
body. The basic equations for linear homogenous and isotropic
elastic solids neglecting the body forces are
ri;j;j 0
rij x
ei;j
1
ui;j uj;i
2
8x 2 V
where rij and ei,j are the stress and strain tensors, respectively; Cijkl
is the elastic modulus tensor in classical isotropic elasticity; and ui
is the displacement vector. Eq. (1) shows that stress (r) at a refer0
ence point depends on local strain at the source x induced by deformation within a finite volume, V, surrounding the material point, by
means of a nonlocal kernel kjx x0 j; a that weights the classical
strains around point x. k is the nonlocal modulus or attenuation
function which is a function of the distance in Euclidean form,
0
|x x |, and a material constant a. Material constant a defined as
e0a/l depends on the internal characteristics lengths, a (lattice
parameter, granular size, distance between CC bonds), external
characteristics lengths l (crack length, wave length) and e0 is a constant appropriate to each material. The parameter e0a is the smallscale parameter revealing the small-scale effect on the responses of
structures of nano-size. Generally, a conservative estimate of the
small-scale parameter is e0a < 2.0 nm for a SWCNT [40] for wave
propagation. Note that this value is both chirality and size dependent, as the material properties of CNTs are widely acknowledged
to be chirality dependent. So far, there is no rigorous study made
on estimating the scale coefficient. It is suggested that the coefficient be determined by conducting a comparison of dispersion
curves from nonlocal continuum mechanics and lattice dynamics
of nano-material crystal structure [43,44].
The kernel function kjx x0 j; a is given by Eringen as
2
kjxj; a 2pl a2 1 K 0
p
xx
la
1 e0 a2 r2 r C : e
2
rx e0 a2
@ 2 rx
Eex
@x2
yr dA
9a
@2w
@x2
9b
e y
@V
@2w
qA 2 qx 0
@x
@s
10a
@M
@W
P
0
@x
@x
10b
K s AG
where E is the Youngs modulus of the material. The resultant bending moment and the kinematics relation in a beam structure are
given as:
where V(x, t) and M(x, t) are the resultant shear force and bending
moment on the beam; q is the mass density of the material, and
A is the cross sectional area of the beam. Substituting Eq. (10b) into
(10a) leads to the nonlocal EulerBernoulli beam model,
!
!
2
2
@4w
@2
@2
2@ w
2@ w
qA 2 W e0 a
EI 4 P 2 W e0 a
@x
@x2
@x2
@x
@t
!
2
@ qx
0
11
qx e0 a2
@x2
309
!
@
@w
@4w
@4w
@ 2 qx
e0 a2 P 4 qA 2 2
/
@x
@x
@x
@x2
@x @t
P
EI
@2w
@2w
qA 2 qx 0
@x2
@t
@2/
@w
@2/
@4/
2
K
AG
/
q
I
e
a
q
I
0
s
0
2
@x2
@x
@t
@x2 @t2
13a
13b
Different from the model, Wang and Wang [113] suggested a nonlocal Timoshenko model in which the small-scale effect is not exerted on the shear force term. The reasoning is provided
hereinafter. In the Timoshenko theory, c0 @w
/ is defined as
@x
the shear strain at the centroidal axis, and the relation of the shear
force and the shear strain is directly defined as V K s AG @w
/ ,
@x
where ks is the shear correction factor, G is the shear modulus
and A is the cross sectional area. Therefore, the relation of the shear
force and shear strain suggested in the Timoshenko beam theory is
applied to the entire straight cross section, and not to a single point
on the section. The assumed relation makes the local Timoshenko
beam somewhat different from the local EulerBernoulli beam theory in which the shear stress at a certain point is related to the
strain at the point. Hence, the shear stress at a cross section in
the Timoshenko theory has already been considered to be a function
of the strain of the cross section as a whole, the nature of a nonlocal
variable. In view of this, in the nonlocal Timoshenko model, the consideration of the scale effect on the shear force may not be
necessary.
In Fig. 6, we compare the fundamental resonant frequency of
SWCNTs obtained from the two nonlocal Timoshenko beam models to show that modeling of scale effect in shear force is not a
key consideration in the beam models. The scale effect is only
indispensible in normal stress and strain relation, as shown in
Eq. (8). The variation of resonant frequency of a SWCNT with
length (L) ranging from 5 nm to 50 nm, diameter (d) 1 nm and
from which it is easily seen that the local or classical EulerBernoulli beam model is recovered when the parameter e0 is identically
zero.
Modeling of applications of CNTs can be extended from the
above fundamental modeling. For example, the analysis of the
vibration and stability of a SWCNT conveying fluid can be theoretically studied with a model provided below:
!
!
2
2
@4w
@2
2@ w
2 @ qx
qx e0 a
EI 4 P 2 w e0 a
@x
@x2
@x2
@x
!
2
2
@
@ w
@
qA 2 w e0 a2 2 mf 1 e0 a2 2
@x
@x
@t
!
@2w
@2w @2w
2v f
2 0
v 2f
@x@t
@x2
@t
12
where mf the mass of fluid per unit length in the carbon nanotube.
The Euler beam model is adequate for the static and dynamic
analysis of CNTs of high aspect ratios. However, it is well known
that the model neglects the transverse shear deformation. The nonlocal Timoshenko beam model was developed in analysis of static
and analysis of CNTs by considering the effects of transverse shear
deformation and rotary inertia [45,49,71,92,113,114].
310
@w
x; h; t
@x
@w
x; h; t
uy x; h; z; t v x; h; t z
@h
uz x; h; z; t wx; h; t
14
!
1 @ u @w
2
@2u
@2u
N
q
h
xh
R @h2 @x
R
@x@h
@t 2
2
Nxx 2 Nhh
R @h
R @x
R
@h @h2
@x
@x
R @h
!
2
@w @ 2 v
@2v
N xh
qh 2
R
@x @x@h
@t
@2w
@t 2
Eh @ 2
1 @2
Gh 2 2 ;
2
2
1 t @x
R @h
1 tEh @
R 1 t2 @x
l11
l13
tEh
1 @2
Gh
;
2
1t
R @x@h
D @2
Eh
D 1 @2
;
2 @x2
1 t2 R2 R2 @h2
R
D @
1 Eh @
mD 21 v D @ 3
4 3 2
2
@x2 @h
R @h
R 1 t @h
R2
R2
l21 l12 ;
l23
l12
l22
Gh
1 v
2
2mD 21 v D
@4
l33
2
2
@x2 @h2
R
R
4
4
@
D @
1 Eh
D 4 4 4 2
@x
R @h
R 1 t2
l32 l23 ;
17
ux x; h; z; t ux; h; t zwx x; h; t
uy x; h; z; t v x; h; t zwh x; h; t
uz x; h; z; t wx; h; z; t
18
@Nxx 1 @Nxh
x
I1 w
I0 u
R @h
@x
@Nxh 1 @Nhh Q hh
h
I0 v I1 w
R @h
@x
R
@Q xx 1 @Q hh Nhh
@2w 1
@2w
1
@2w
Nxx 2 Nxh
2 Nhh 2 I0 w
@x
R
R @h
@x
R
@x@h R
@h
@ 2 Mxx 1 @ 2 M hh 2 @ 2 M xh Nhh
@2w
2
Nxx 2
2
2
R @x@h
@x
@x
R
R @h
!
!
@u 1 @ v 1 @ 2 w
2
@2w @v
N hh
Nxh
@x R @h R @h2
R
@x@h @x
qh
hh
@x2
@x R @h R @h2
!#
2
@2w @v
16
Nxh
R
@x@h @x
@Nxx 1 @Nhx
@ u
Nxx 2 Nhh
@x
R @h
@x
l21 u l22 v l23 w 1 e0 a2 r2
"
!#
!
@2v 1
@w @ 2 v
2
@w @ 2 v
2 Nxh
l31 l13 ;
ux x; h; z; t ux; h; t z
qhu
hh
xh
@x2
R @h2 @x
R
@x@h
@Mxx 1 @M xh
x
I2 w
Q xx I1 u
R @h
@x
15
where Nxx, Nhh, Nxh; Mxx, Mhh, and Mxh are the components of internal
force and the internal moments into which the small-scale effect
has been incorporated [93], x and h denote the longitudinal and circumferential coordinates respectively. The nonlocal elastic shell
model is hence provided as follows:
@Mxh 1 @M hh
h
Q hh I1 v I2 w
R @h
@x
19
311
x
I1 w
l11 u l12 v l13 w l14 wx l15 wh 1 e0 a2 r2 I0 u
2
"
Dr4 w 1 e0 a2 r2 I0
h
l21 u l22 v l23 w l24 wx l25 wh 1 e0 a r I0 v I1 w
ux x; y; z; t ux; y; t zwx x; y; t
uy x; y; z; t v x; y; t zwy x; y; t
where u; v and w are the reference surface displacements. The governing Mindlin-type equations are given as
20
l11
l13
1 v Eh @
;
R 1 v 2 @x
l12
l14 l15 0;
v Eh Gh
1 v2
2
@Q xx @Q yy
p I0 w
@x
@y
@Mxx @Mxy
x
I2 w
Q x I1 u
@x
@y
l22
l23
l33 Gh
l32 l23 ;
l35
l44
l45
Gh @
;
R @h
@2
1 @2
1 Eh
Gh 2 2 2
;
2
@x
R @h
R 1 v2
l41 l42 0;
l54 l45 ;
l55
l31 l13 ;
l34 Gh
@
;
@x
l43 l34 ;
@2
1 1 v D 1 @ 2
D 2
Gh;
2
2
@x
R2 @h2
1 1 v D 1 @ 2
vD
; l51 0;
2
2
R @x@h
l52 l25 ;
l53 l35 ;
21
26
where Nxx, Nyy, Nxy; Qxx, Qyy; Mxx, Myy, Mxy; I0, I1, I2 are the components of internal force, the internal moments into which the
small-scale effect has been incorporated and mass moments of inertia [98,101,105]. The nonlocal Mindlin plate theory is hence given as,
y
l21 u l22 v l23 w l24 wx l25 wh 1 e0 a2 r2 I0 v I1 w
ux x; y; z; t ux; y; t z
22
where u, v and w are the reference surface displacements. The dynamic equilibrium equations of the stress and moment resultants
are given as [98,101,105]
@ 2 Mxx
@ 2 M xy @ 2 Myy
@2w
@4w
2
I0 2 I 2 2 2
2
2
@x
@x@y
@y
@t
@x @t
@Mxy @Myy
y
Q y I1 v I2 w
@x
@y
x
I1 w
l11 u l12 v l13 w l14 wx l15 wh 1 e0 a2 r2 I0 u
1 1 v D @ 2
1 @2
D 2 2 Gh
2
2
2
@x
R @h
@w
x; y; t
@x
@w
uy x; y; z; t v x; y; t z
x; y; t
@y
uz x; y; z; t wx; y; t
@Nxx @Nxy
x
I1 w
I0 u
@x
@y
@Nxy @Nyy
y
I0 v I1 w
@x
@y
1 @2
;
R @x@h
l21 l12 ;
2
Gh @ 2
Eh 1 @ 2
1
Gh
;
2
2
2
2
2 @x
1 v R @h
R
Eh
1 @
Gh
Gh 2
; l24 0; l25
;
1 v2
R
R @h
25
uz x; y; z; t wx; y; t
x
I2 w
l41 u l42 v l43 w l44 wx l45 wh 1 e0 a2 r2 I1 u
Eh @ 2
Gh 1 @ 2
;
1 v 2 @x2
2 R2 @h2
24
I0 w Nxx 2 Nxh
Nhh 2
@x
R
@x@h R2
@h
h
l51 u l52 v l53 w l54 wx l55 wh 1 e0 a2 r2 I1 v I2 w
@2w
@4w
@4w
2
@t2
@x2 @t2 @y2 @t 2
!#
23
where q is the mass density. The nonlocal plate model of a singlelayered graphene sheet in terms of the displacements is given below when the rotary inertia is considered:
27
l11
Eh @ 2
Gh @ 2
;
2
2
1 t @x
2 @y2
l12
l22
l34
1
@
K s Gh ;
2
@x
l41 l42 0;
l45
tD
Gh @ 2
Eh @ 2
;
2
2 @x
1 t2 @y2
l35
1
@2
1
@2
K s Gh 2 K s Gh 2 ;
2
2
@x
@y
1
@
K s Gh
2
@y
l32 l23 ;
l31 l13 ;
tEh Gh @ 2
;
1 t2
2 @x@y
l43 l34 ;
l33
l44 D
@2
1 1 tD @ 2
1
K s Gh;
2
2
2
@x
@y2 2
1 1 tD @ 2
2
2
@x@y
l51 0;
l55
D
K s Gh
2
@x
2
2
R @y2 2
28
312
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