Cantilevered single walled boron nitride nanotube based nanomechanical

resonators of zigzag and armchair forms

Mitesh B. Panchal
n
, S.H. Upadhyay
Vibration and Noise Control Laboratory, Mechanical and Industrial Engineering Department, Indian Institute of Technology Roorkee, Roorkee 247667, Uttarakhand, India
H I G H L I G H T S
c SWBNNT of zigzag and armchair
forms are modeled as molecular
structural mechanics based FE model.
c Resonant frequency variations to
attached mass is analyzed for mass
sensitivity analysis.
c Higher order modes are explored for
detection of added mass and its loca-
tion identication.
c Mass sensitivity analysis in terms
of different atomic structures of
SWBNNT is performed.
G R A P H I C A L A B S T R A C T
Dynamic response analysis of cantilevered Single Walled Boron Nitride Nanotubes (SWBNNTs), is
reported using molecular structural mechanics based 3-dimensional atomistic model for intermediate
landing position of the added mass.
a r t i c l e i n f o
Article history:
Received 11 July 2012
Received in revised form
3 January 2013
Accepted 20 February 2013
Available online 7 March 2013
Keywords:
Single walled boron nitride nanotubes
(SWBNNTs)
Atomistic modeling
Resonant frequency shift
Finite element method (FEM)
a b s t r a c t
In this paper, the dynamic response analysis of single walled boron nitride nanotubes (SWBNNTs) has
been done using a nite element method (FEM). To this end, different types of zigzag and armchair
layups of SWBNNTs are considered with cantilever conguration to analyze the mass detection
application, as a SWBNNT based nanomechanical resonator. Using three dimensional elastic beams
and point masses, single walled boron nitride nanotubes are approximated as atomistic nite element
models. Implementing the nite element simulation approach, the resonant frequency of cantilevered
nanotubes obtained and observed the shifts in it mainly due to an additional nanoscale mass to the
nanotube tip. The effect on resonant frequency shift due to dimensional variation in terms of length as
well as diameter is explored by considering different aspect ratios of nanotubes. The effect of
intermediate landing positions of added mass on resonant frequency shift is also analyzed by
considering excitations of different modes of vibration. Also, the effect of chiralities compared for
resonant frequency variations to check the effect on sensitivity due to different forms of SWBNNTs.
The present approach is found to be effectual in terms of dealing different chiralities, boundary conditions
and consideration of added mass to analyze the dynamic behavior of cantilevered SWBNNT based
nanomechanical resonators. The simulation results are compared with the analytical results based on
continuum mechanics and found in good agreement as one of the toolkits for systematic analysis
approach for novel design of SWBNNT based nanomechanical resonators for wide range of applications.
& 2013 Elsevier B.V. All rights reserved.
1. Introduction
The atomic resolution characterizations and synthesis of
nanoscale one dimensional structures such as carbon nanotubes
[1] and boron nitride (BN) nanotubes [2] have actuated great
interest, due to their novel properties and potential applications
in nanodevices [38]. A Boron Nitride Nanotube (BNNT) is a
Contents lists available at SciVerse ScienceDirect
journal homepage: www.elsevier.com/locate/physe
Physica E
1386-9477/$ - see front matter & 2013 Elsevier B.V. All rights reserved.
http://dx.doi.org/10.1016/j.physe.2013.02.018
n
Corresponding author. Tel.: 91 1332 285520; fax: 91 1332 285665.
E-mail addresses: miteshbpanchal77@gmail.com,
mitesaumya@gmail.com (M.B. Panchal),
upadhyaysanjayh@yahoo.com (S.H. Upadhyay).
Physica E 50 (2013) 7382
structural analog of a Carbon Nanotube (CNT) in nature: [1,9]
alternating B and N atoms entirely substitute for C atoms in
graphitic like sheet with almost no change in atomic spacing
(Fig. 1). Similar to carbon nanotubes (CNTs), BNNTs may layups in
zigzag, armchair and chiral formation and crystallize in single
walled nanotube (SWNT) and multi walled nanotube (MWNT).
Such BNNTs possess many of the superior properties of the CNTs
[10] such as exceptional elastic properties [1115], high mechanical
strength [1619], chemical inertness [20] and structural stability
[21], high heat conduction and piezoelectricity [22]. In addition,
BNNT has a wide band-gap independent of geometrical/atomic
conguration. These factors make BNNT particularly suitable for
biological applications [23].
Chopra and Zettl, [19] reported mechanical measurement of
BNNTs, where the amplitude of thermally induced vibration of a
cantilevered BNNT was examined at room temperature inside
TEM and the elastic modulus of a single BNNT was estimated to
be 1.2270.24 TPa. Ciofani et al. [24] exploited the use of BNNTs
in the nanomedicine eld and reported that BNNTs are more
suitable for the development of sensors and transducers for the
detection of biological entities, due to their chemical stability.
In the later study, Ciofani et al. [25] highlighted that BNNT based
nanomaterials requires further experiments for the accurate
assessment of their biocompatibility.
The past few years have witnessed the growth of nanotechnology
that enables the development of nanoscale functional devices
designed for specic aims such as nanoscale actuation, sensing and
detection [2628]. Among MEMs/NEMs devices, nanomechanical
resonators have been recently highlighted for their unprecedented
dynamic characteristics as they can easily reach ultra-high frequency
(UHF) and/or very-high frequency (VHF) dynamic behavior up to
Giga Hertz regimes [2831]. The top-drawer performance of nano-
mechanical resonators for sensing applications is highly correlated
with their dynamic characteristics [3234]. Dynamic response
analysis due to additional mass is important as a mass sensor
application, but for effective design of nanomechanical resonator it
is more signicant to consider the weight and landing position of the
additional mass along the length of nanotube [35].
Several literatures are available addressing the estimation of
mechanical properties of boron nitride nanotubes (BNNTs) consider-
ing experimentations and numerical analysis [19,3639]. Moon and
Hwang [40] have investigated the optimized structure of BN nano-
tubes, based on Universal force eld (UFF), and reported structural
properties such as bond length (1.432

A), diameter dilation of smaller
nanotubes, buckling of BN bonds, and strain energy. Chowdhury
et al.[41] reported molecular mechanics based model to simulate the
optimized structures of SWBNTs and their vibrational behaviors and
reported signicant impacts on structural instability and electronic
properties due to symmetry-breaking. Boldrin et al.[42] reported
analytical formulation for the equivalent thickness and in-plane
mechanical properties of hexagonal boron nitride (h-BN) nano-
sheets. Chowdhury and Adhikari [43] use Euler-Bernoulli beam
theory to model the bending vibration of single-walled BNNT resona-
tors and validated using the molecular mechanics approach. Jiang
and Guo [44] presented an analytical stick-spiral model on the basis
of molecular mechanics, for single walled boron nitride nanotubes to
investigate their size dependent elastic properties. The present litera-
tures addressing numerical formulations and molecular mechanics
approach for the estimation of the mechanical and structural proper-
ties of boron nitride nanotubes are not enough considering its
wide range of applications. The present work is focused on the
atomistic space frame model based analysis of the SWBNNTs.
Using this approach different chiralities of SWBNNTs like zig-zag,
arm-chair and chiral can be incorporated effectively. Also, different
boundary conditions and consideration of added mass in terms
of magnitude and location along the length of nanotubes can be
efciently dealt.
Dynamic behavior of cantilevered SWBNNTs based nanome-
chanical resonators in terms of size of nanotube, atomic structure,
and consideration of added mass in terms of magnitude and
intermediate position is reported. Two types of nanotubes are
considered, namely zig-zag tubes (5,0), (7,0) and (9,0) whose
diameter increases from 0.3997 to 0.5596 nm and 0.7195 nm, and
arm-chair tubes (5,5), (7,7) and (9,9) where the diameter
increases from 0.6923 to 0.9693 nm and 1.2462 nm. The atomistic
model is developed by the three dimensional elastic beams and
point masses in three dimensional spaces. The elastic properties
of beam elements are considered based on mechanical character-
istics of the BN bond in hexagonal lattice. The masses of B and N
atoms are assumed as point masses at the two nodes of the beam
element. FEM simulation approach is implemented to analyze the
variation in resonant frequency shift against magnitude of added
mass at the free-end of nanotube. Both types of considered
chiralities are analyzed for different aspect ratios, the analysis
carried out to explore the dynamic behavior of cantilevered
SWBNNT based nanomechanical resonators in terms variation in
length as well as variation in diameter of nanotubes. The attached
mass at the free end of nanotube varies from 10
2
zg to 10
5
zg.
The effect on resonant frequency shift for fundamental modes of
vibration against intermediate position of attached mass along
the length of nanotube is analyzed for armchair (5,5) chairality
with aspect ratio of 15 and magnitude of attached mass 100 times
the average weight of boron and nitrogen atoms (20.610
3
zg).
2. Massresonant frequency relationship for cantilevered
nanomechanical resonators
The EulerBernoulli beam model gives equation of motion of a
free vibration of a beam in the limit of small amplitude governed
Fig. 1. (a) Plane BN sheet with possible wrapping of zigzag and armchair chiralities and structural models of single walled BNNTs made of a wrapped BN layer: (b) zigzag
(c) armchair and (d) chiral.
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 74
by wave equation as [45],
EI
@
4
wx,t
@x
4
rA
@
2
wx,t
@t
2
0 1
where, w(x,t) is the transverse deection, E is the Young modulus,
r the density and I the second moment of cross sectional A of the
beam. For small amplitude of vibrational motion, the resonance
behavior obeys the harmonic approximation, for which the
resonant frequency of nanowires is expressed by,
f
n

1
2p

k
eq
m
eq
s
2
where k
eq
and m
eq
are equivalent stiffness and mass of BNNT
with attached mass. Fig. 2 shows cantilever conguration of
SWBNNT nanomechanical resonator, in this case considering
added mass M, giving a virtual force at the location of the mass
so that the deection under the mass becomes unity. For this case,
harmonic motion and kinetic energy of single walled BNNT,
equivalent stiffness (k
eq
), deection shape along the length of
single walled BNNT and equivalent mass (m
eq
) can be obtained as,
Equivalent stiffness,
k
eq

3EI
L
3
3
The deection shape,
Wx
x
2
3Lx
2L
3
4
Assuming harmonic motion W(x,t)W(x) exp(iot), where o is
the frequency and the kinetic energy of cantilevered single walled
BNNT is obtained as,
T
o
2
2
Z
L
o
rAY
2
xdx
o
2
2
MY
2
L
o
2
2
33
140
rALM

therefore, equivalent mass,
m
eq

33
140
rALM 5
Fig. 2. Cantilevered SWBNNT resonator of length L with an attached mass. The mode-shape in the rst mode of vibration is shown in (b). The maximum deection occurs
under the added. (a) Atomistic cantilevered conguration of SWBNNTs with the attached mass at the free end. (b) Mathematical idealization: point mass at the tip.
Fig. 3. Types of bond deformations during in-plane and out-of-plane loading (a) bond stretching (b) bond in- plane rotation (c) bond dihedral rotation and (d) hinging
deformation for I J K BN bonds.
Table 1
Properties of the beam elements for space
frame model.
Length of bond, L 0.145 nm
Youngs modulus 0.263 TPa
Poissons ratio, n 0.211
Diameter, d 0.106 nm
Fig. 4. Isometric view of the space-frame model of SWBNNT with xed-free
boundary condition.
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 75
Substituting Eqs. (3)and (5) in Eq. (2), the resonant frequency
can be obtained as,
f
n

a
2
cantilevered
2pL
2

EI
rA1DM
s
6
where,
a
2
cantileverd

140
11
r
, DM
M
rAL
m,and m
140
33
7
Thus, high frequency dynamic behavior accomplished by scaling
down the size of the resonator because resonant frequency is
proportional to L
2
, where L is the length of a nanomechanical
resonator. The resonance-based detection grants the continuous
scaling down of a cantilever to nanometer length scales. This can
be assigned to the fact that scaling down leads to an increase of the
resonant frequency of a nanomechanical resonator, which increases
the detection sensitivity. In other words, the smaller the resonator,
the more sensitivity it owns.
The principle of mass detection using resonators is based on
the fact that the resonant frequency is sensitive to the resonator
mass, which includes the self-mass of the resonator and the
mass attached on the resonator. The change of the mass attached
on the resonator can cause a shift of the resonant frequency.
The key issue of mass detection is in quantitating the change
in the resonant frequency due to added mass. Based on this
principle, the development of computational tools adequate to
simulate the vibrational behavior of BNNT-based mass sensor is
important.
Resonant frequency with no attached mass for cantilevered
nanomechanical resonator is expressed by considering DM0 in
Eq. (6),
f
0n

1
2pL
2
a
2

EI
rA
s
8
and resonant frequency shift Df due to attached mass M can be
dened as,
Df f
0n
f
n
9
Fig. 5. Resonant frequency variations to attached mass for zigzag form of xed-free cantilevered SWBNNTs (a) zigzag (5,0) (b) zigzag (7,0) and (c) zigzag (9,0).
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 76
3. Molecular structure mechanics for single walled boron
nitride Nanotubes
On the basis of BornOppenheimer approximation, with which
it could be possible to express the energy as a function of the
nuclear coordinates, molecular mechanics [46,47] give out a very
simple model of the interaction within a system with contribu-
tions from individual terms such as bond stretching, angle
variation and inversion. Fig. 3 shows equivalent mechanical
behavior of BN bond under axial, bending and torsional defor-
mations with indices I, J, K and L to dene the positions of boron,
nitrogen, boron and nitrogen atoms respectively. The model used
for assemblies of atoms can be written as,
E E
r
E
y
E
o
E
t
E
vdW
E
es
10
where E
r
energy associated with bond stretching, E
y
energy
associated with angle variation, E
o
energy associated with inver-
sion terms (out of plane bending), E
t
energy associated with angle
torsion, E
vdW
non-bonded interaction consists of van der Walls
and E
es
non-bonded interaction consists of electrostatics. The
above energy terms is given as follows [41]:
E
r
k
1
r r
0

2
,
E
y
k
2
C
0
C
1
cosyC
2
cos2y ,
C
2

1
4sin
2
y
, C
1
4C
2
cosy
0
and C
0
C
2
2cos
2
y
0
1

E
o
k
3
17cos nww
0

,
E
t
k
4
17cosn|,
E
vdW
D
r
n
r

12
2
r
n
r

6
" #
and
E
es

q
i
q
j
er
ij
11
Here, k
1
, k
2
, k
3
, and k
4
are force constants, y
0
is the natural
bond angle, D is the van der Walls well depth, r
n
is the van der
Walls length, q
i
is the net charge of an atom, e is the dielectric
constant and r
ij
is the distance between two atoms. E
es
is the
Columbic term which is non zero in BNNTs. The atomic charges
are assigned according to the Qed algorithm presented in [48].
The values of parameters presented in Eq. (2) can be found in [49].
Akdim et al.[50] reported the average calculated BN bond
distance of about 0.145 nm which is consistent with in-plane BN
distance for the hexagonal BN sheet, and DFT calculations for
zigzag and arm-chair BNNTs. Jiang and Guo [44] reported that
Youngs modulus for zigzag BNNTs varies from 0.17 TPa nm to
0.260 TPa nm and for armchair BNNTs value of Youngs modulus
varies from 0.258 TPa to 0.268 TPa, and as the diameter increases
and approaches to innite Youngs modulus for both armchair
and zigzag tubes approach to unique value, 0.271 TPa nm. Boldrin
Fig. 6. Resonant frequency shift variations to attached mass for zigzag form of xed-free cantilevered SWBNNTs (a) zigzag (5,0) (b) zigzag (7,0) and (c) zigzag (9,0).
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 77
et al.[42] reported numerical models using nite element (FE)
truss like assemblies of BN bonds and using different force models
(DREIDING and UFF) provided equivalent mechanical properties
of the BN bonds in terms of equivalent thickness and Poissons
ratio of the BN structural bonds.
4. Space frame model of single walled boron nitride
nanotubes
The space frame model of the SWBNNTs for both types of
considered chiralities are developed using three dimensional
elastic beam elements and point masses for different aspect
ratios. The material properties for beam elements, which repre-
sent BN bonds are considered from the reference results [42], and
listed in Table 1.
The concentrated masses with boron nuclei masses (m
boron

1.795010
26
kg) and nitrogen nuclei masses (m
nitrogen

2.325810
26
kg) are positioned at the ends of the beam
elements representing joints of BN bonds. It is assumed that
the mass of electrons are not signicant in comparison with those
of nuclei. To model the space-frame like structure of SWBNNT,
the commercial FEM based package ANSYS is used. The elastic
properties of the BN bond applied to the beam element used for
development of space-frame model and the mass properties to
the boron and nitrogen nuclei applied using structural mass
element. The 3-dimensional space frame model for the SWBNNT
with xed-free end constraints is as shown in Fig. 4.
The resonant behavior of cantilevered SWBNNTs with con-
sideration of added mass in terms of magnitude and landing
position along the length is analyzed using FEM. Using space
frame modeling of nanotubes, different atomic forms of SWBNNTs
like zigzag, armchair and chiral can be easily incorporated. Also
the individual atomic mass of B and N atom can be dealt to
particular nodes accurately.
5. Results and discussion
In continuum mechanics based analytical approach, the stres-
ses are transmitted through the continuous wall area due to
application of external load, while in nanotube the same stresses
are transmitted through its atoms. As a result to maintain the
tube equilibrium, the wall thickness must be smaller than the
Fig. 7. Resonant frequency variations to attached mass for armchair form of xed-free cantilevered SWBNNTs (a) armchair (5,5) (b) armchair (7,7) and (c) armchair (9,9).
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 78
atom diameter. In this sense, calculations using continuum
models that apply wall thickness greater than or equal to the
diameter of a boron atom or a nitrogen atom can give incorrect
results. Considering this, the effective thickness value used by
Vodeitcharova and Zhang [51] for SWCNT is 43.4% of theoretical
diameter of carbon atom ( 0.142 nm). In single walled boron
nitride nanotubes, the outward displacement of N atoms and
inward movement of B atoms, results in rippled surface for
SWBNNTs [52,53]. This structural characteristic of the SWBNNT
proposes the effective thickness of SWBNNT less than the dia-
meter of a boron atom or a nitrogen atom. In the present analysis,
for continuum mechanics based analytical calculations, the tube
thickness of 0.065 nm, 44% of the average of theoretical diameters
of boron atom (0.145 nm) and nitrogen atom (0.150 nm) is
considered [54,55]. Continuum mechanics based analytical results
for cantilevered SWBNNT are obtained, considering the estimated
value of elastic modulus 1.22 TPa by Chopra and Zettl [19] and the
mass density r used is 2180 kg/m
3
, according to the density of
hexagonal-BN [56].
Fig. 5 shows, the resonant frequency variations against
attached mass for cantilevered SWBNNTs of zigzag form (5,0),
(7,0) and (9,0), for different aspect ratios of range 719. The
simulation results are compared with continuum mechanics
based analytical results and observed in proper agreement.
Fig. 8. Resonant frequency shift variations to attached mass for armchair form of xed-free cantilevered SWBNNTs (a) armchair (5,5) (b) armchair (7,7) and
(c) armchair (9,9).
Table 2
Resonant frequency shift variations for various rst modes of vibrations against different intermediate positions of attached mass along the length of armchair for (5,5)
cantilevered SWBNNT nanomechanical resonator of aspect ratio 15.
Vibration mode Resonant frequency shift (GHz)
Intermediate position of the attached mass with respect to length (a/L)
0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
1st Bending 0.001 0.011 0.041 0.104 0.209 0.364 0.569 0.821 1.194 1.448
1st Twisting 0.250 0.810 1.510 2.250 3.110 4.190 5.260 5.790 5.490 5.280
1st Axial 0.660 1.880 3.740 5.950 8.210 10.530 12.540 14.000 15.460 15.450
1st Radial 4.250 7.840 21.160 11.370 5.840 2.430 1.800 5.020 16.240 9.920
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 79
The result shows that as the size of nanotube in terms of diameter
or length increases the resonant frequency decreases. The varia-
tion in the resonant frequency is apparent for mass greater than
10
1
zg, even for the nanotubes of higher aspect ratios. Thus, the
mass sensitivity limit of 10
1
zg can be achieved using zigzag
form of cantilevered SWBNNT based nanomechanical resonators.
Fig. 6 shows, the resonant frequency shift variations to
attached mass for cantilevered SWBNNTs of zigzag form (5,0),
(7,0) and (9,0), for different aspect ratios of range 719. The result
shows that as diameter of the nanotube increases the resonant
frequency shift decreases and as length increases for particular
diameter resonant frequency shift decreases. From the obtained
result, it is clear that resonant frequency shift increases with
increase of attached mass and becomes larger when nanotube is
shorter. Thus, the mass sensitivity increases when smaller size
cantilevered SWBNNTs based nanomechanical resonators are
used as mass sensors.
Fig. 7 shows, the resonant frequency variations against
attached mass for cantilevered SWBNNTs of armchair form (5,5),
(7,7) and (9,9), for different aspect ratios of range 719. Similar to
zigzag form of cantilever SWBNNT based resonators, simulation
results are compared with continuum mechanics based analytical
results and found in good agreement. The result shows that as the
size of nanotube in terms of diameter or length increases the
resonant frequency decreases. Similar to zigzag form, the varia-
tion in the resonant frequency is apparent for mass variation upto
10
1
zg even for the nanotubes of higher aspect ratios. Thus, the
sensitivity limit of 10
1
zg can be achieved using cantilevered
SWBNNT based nanomechanical resonators.
Fig. 8 shows, the resonant frequency shift variations to
attached mass for cantilevered SWBNNTs of zigzag form (5,5),
(7,7) and (9,9), for different aspect ratios from 7 to 19. Result
follows similar pattern as per the results of zigzag form of
cantilevered SWBNNTs. It indicates that the mass sensitivity
increases when smaller size cantilever SWBNNTs based nanome-
chanical resonators are used as mass sensors.
The landing position of the mass along the length of nanotube
plays a signicant role on resonant frequency shift, because some
parts of the tube vibrate much more than the base. Landing mass
that is being added near the fast moving region has much greater
effect on the resonant frequency and is equivalent to much greater
mass arriving near to the base. In addition to fundamental mode of
vibration, higher-order modes in which the maximum displacement
occurs at two or more positions along the length of nanotube are
possible. These higher-order vibrational modes need to be exploited
because the change in the resonant frequency depends on how
much the nanotube moves at the landing point of mass [57]. The
measurements made with higher order modes could potentially
take into account both the mass magnitude and landing position to
be determined. Hence, the detection and mensuration of the mass
require investigation of the frequency shifts of the fundamental
vibrational mode as well as higher-order modes of vibration [57,58].
Considering this conception, armchair form (5,5) of cantilevered
SWBNNT with aspect ratio 15 is analyzed for the effect of the
resonant frequency shifts for the fundamental modes of vibrations
against different intermediate positions. The attached mass consid-
ered is 100 times the average weight of boron and nitrogen atoms
Fig. 9. Cantilevered SWBNNT nanomechanical resonator with an attached mass at
an intermediate position.
Fig. 10. (a) Different rst fundamental modes of vibration and (b) resonant frequency shift variations against intermediate positions of the attached mass along length for
armchair form (5,5) of cantilevered SWBNNT with aspect ratio 15 and attached value of mass of 20.610
3
zg.
Fig. 11. Resonant frequency variations to attached mass for zigzag form (7,0) and
armchair (4,4) form of cantilevered SWBNNT based nanomechanical resonators for
aspect ratio 9, 11, 13 and 15.
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 80
(20.610
3
zg), moving along the length of nanotube as shown in
Fig. 9. The result for resonant frequency shift variations for rst
fundamental modes of vibrations (bending, twisting, axial and
radial) against different intermediate position of mass is summar-
ized in Table 2. Fig. 10(a), shows deformation of nanotube for rst
fundamental modes of vibrations and Fig. 10(b) shows the fre-
quency shift of basic modes of vibration with attached mass at
different intermediate positions on nanotube. The variation of
twisting and axial mode frequency shifts is small. The rst bending,
twisting and axial mode follows the same pattern of increase in
frequency shift as mass moves away from the xed end, and range
of frequency shift is 0.0011.1448 GHz, 0.2505.280 GHz and
0.66015.460 GHz, respectively. As expected the resonant frequency
shift is small near the xed end. While for radial mode the frequency
shift range is 1.80021.160 GHz and distribution is random among
the intermediate positions of attached mass. This fact may assist in
measuring the weight of the attached mass and its location more
easily by considering the rst fundamental modes of vibration.
The chairality effect on the resonant frequency is analyzed for
cantilevered SWBNNT based nanomechanical resonators by con-
sidering zigzag form (7,0) of diameter 0.5596 nm and armchair
form (4,4) of almost equal diameter 0.5539 nm for different
aspect ratios 9, 11, 13 and 15. A resonant frequency variation
for both types of chiralities against attached mass is shown in
Fig. 11. The results indicate that for almost same diameter, the
resonant frequencies of zigzag form of SWBNNT are having
comparatively lower values then resonant frequencies of arm-
chair form of SWBNNT, as a counterpart for attached mass
variation from 10
2
zg to 10
5
zg. This type of variation may result
due to the total number of atoms presents in a particular form of
SWBNTs. For zigzag form (7,0) of SWBNNT total number of atoms
is 329 for aspect ratio of 9, while for armchair form (4,4) of
SWBNNT total number of atoms is 320, which results in variation
in mass of SWBNNTs for different forms. This analysis indicates
that zigzag form of cantilever SWBNNT based mass sensor is more
sensitive as compared to armchair form of SWBNNT.
6. Conclusions
Detailed investigation of dynamic behavior of cantilevered
single walled boron nitride nanotube based nanomechanical
resonator using atomistic model based simulation approach has
been reported. Two different forms, zigzag and armchair are
considered along with different aspect ratios to analyze the effect
of atomic structure as well as the size variation in terms of
diameter and lengths. Time saving and simplicity are the main
features of present analysis approach to deal with different forms
of SWBNNTs, boundary conditions and magnitude and landing
positions of additional mass.
The present simulation approach using atomistic model
based on beam element and point masses is found in good
agreement with the analytical approach for considered
effective thickness of SWBNNT as a continuum model.
With considered zigzag and armchair forms of cantilevered
SWBNNT based nanomechanical resonators, as the aspect
ratio increases the resonant frequencies decreases and for
smaller aspect ratio resonant frequency shift increases as
attached mass increases. This indicates that the mass
sensitivity increases when smaller size cantilevered
SWBNNTs based nanomechanical resonators are used as
mass sensors. The mass sensitivity of 10
1
zg can be
achieved using cantilevered SWBNNT based nanomecha-
nical resonators.
The intermediate position of attached mass on the nano-
tube, shown to produce notable changes in the sensing
behavior of the cantilevered SWBNNT based mass sensor.
The combination of resonant frequency shifts of the
fundamental modes can furnish a basis for the ability to
not only sense an additional mass, but also determine its
weight and position along the length of SWBNNT.
The zigzag form of cantilevered SWBNNT based mass
sensor is more sensitive as compared to armchair form of
cantilevered SWBNNT.
References
[1] S. Iijima, Nature 354 (1991) 56.
[2] N.G. Chopra, R.J. Luyken, K. Cherrey, V.H. Crespi, M.L. Cohen, S.G. Louie,
A. Zettl, Science 269 (1995) 966.
[3] X. Blase, A. Rubio, S.G. Louie, M.L. Cohen, Europhysics Letters 28 (1994) 335.
[4] M.S. Dresselhaus, G. Dresselhaus, P.C. Eklund, Science of Fullerenes and
Carbon Nanotubes, Academic Press, San Diego, 1996.
[5] B.I. Yakobson, R.E. Smalley, American Science 85 (1997) 324.
[6] D. Qian, G.J. Wagner, W.K. Liu, M.F. Yu, R.S. Ruoff, Applied Mechanics Reviews
55 (2002) 495.
[7] Z.H. Zhang, W.L. Guo, Journal of American Chemical Society 131 (2009) 6874.
[8] Z.H. Zhang, W.L. Guo, Y.T. Dai, Journal of Applied Physics 105 (2009) 084312.
[9] A. Oberlin, M. Endo, T. Koyama, Journal of Crystal Growth 32 (3) (1976) 335.
[10] M. Santosh, P.K. Maiti, A.K. Sood, Journal of Nanoscience and Nanotechnology
9 (9) (2009) 5425.
[11] D. Goldberg, Y. Bando, Y. Huang, T. Terao, M. Mitome, C. Tang, C. Zhi, ACS
Nano 4 (6) (2010) 2979.
[12] W. Moon, H. Hwang, Physica E: Low-dimensional Systems and Nanostruc-
tures 23 (12) (2004) 26.
[13] V. Pokropivny, S. Kovrygin, V. Gubanov, R. Lohmus, A. Lohmus, U. Vesi,
Physica E: Low-Dimensional Systems and Nanostructures 40 (7) (2008) 2339.
[14] V. Verma, V.K. Jindal, K. Dharamvir, Nanotechnology 18 (43) (2007) 1.
[15] C. Li, T. Chou, Journal of Nanoscience and Nanotechnology 6 (1) (2006) 54.
[16] G.S. Jeon, G.D. Mahan, Physical Review B 79 (8) (2009) 085424.
[17] H.M. Ghassemi, R.S. Yassar, Applied Mechanics Reviews 63 (2) (2010)
020804.
[18] A. Suryavanshi, M. Yu, J. Wen, C. Tang, Y. Bando, Applied Physics Letters 84
(14) (2004) 2527.
[19] N. Chopra, A. Zettl, Solid State Communications 105 (5) (1998) 297.
[20] C.Y. Zhi, Y. Bando, C.C. Tang, Q. Huang, D. Golberg, Journal of Materials
Chemistry 18 (33) (2008) 3900.
[21] G. Ciofani, V. Raffa, A. Menciassi, A. Cuschieri, Nano Today 4 (1) (2009) 8.
[22] E.S. Oh, Material Letters 64 (7) (2010) 859.
[23] C. Zhi, Y. Bando, C. Tang, D. Golberg, Journal of American Chemical Society
127 (49) (2005) 17144.
[24] G. Ciofani, V. Raffa, A. Menciassi, A. Cuschieri, Nano Today 4 (1) (2009) 8.
[25] G. Ciofani, S. Danti, D. DAlessandro, S. Moscato, A. Menciassi, Biochemical
and Biophysical Research Communications 394 (2) (2010) 405.
[26] H.G. Craighead, Science 290 (2000) 1532.
[27] M.L. Roukes, Physics World 14 (2001) 25.
[28] K.L. Ekinci, Small 1 (2005) 786.
[29] X.M.H. Huang, X.L. Feng, C.A. Zorman, M. Mehregany, M.L. Roukes, New
Journal of Physics 7 (2005) 247.
[30] A. Husain, J. Hone, H.W.C. Postma, X.M.H. Huang, T. Drake, M. Barbic,
A. Scherer, M.L. Roukes, Applied Physics Letters 83 (2003) 1240.
[31] H.B. Peng, C.W. Chang, S. Aloni, T.D. Yuzvinsky, A. Zettl, Physical Review
Letters 97 (2006) 087203.
[32] T. Braun, V. Barwich, M.K. Ghatkesar, A.H. Bredekamp, C. Gerber, M. Hegner,
H.P. Lang, Physical Review E 72 (2005) 031907.
[33] B. Ilic, H.G. Craighead, S. Krylov, W. Senaratne, C. Ober, P. Neuzil, Journal of
Applied Physics 95 (2004) 3694.
[34] K.L. Ekinci, X.M.H. Huang, M.L. Roukes, Applied Physics Letters 84 (2004)
4469.
[35] S.K. Georgantzinos, N.K. Anifantis, Physica E 42 (2010) 1795.
[36] T. Wittkowski, J. Jorzic, K. Jung, B. Hillebrands, Thin Solid Films 353 (1999)
137.
[37] L. Vaccarini, C. Goze, L. Henrard, E. Hernandez, P. Bernier, A. Rubio, Carbon 38
(2000) 1681.
[38] B. Akdim, R. Pachter, X. Duan, W.W. Adams, Physical Review B 67 (2003)
245404.
[39] D. Goldberg, Y. Bando, C. Tang, C. Zhi, Advanced Materials 19 (2007) 2413.
[40] W.H. Moon, H.J. Hwang, Physica E 23 (2004) 26.
[41] R. Chowdhury, C.Y. Wang, S. Adhikari, F. Scarpa, Nanotechnology 21 (2010)
365702.
[42] L. Boldrin, F. Scarpa, R. Chowdhury, S. Adhikari, Nanotechnology 22 (2011)
505702.
[43] R. Chowdhury, S. Adhikari, IEEE Transactions on Nanotechnology 10 (4)
(2011) 659.
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 81
[44] L. Jiang, W. Guo, Journal of Mechanics and Physics of Solids 59 (2011) 1204.
[45] S.P. Timoshenko, J.M. Gere, Theory of Elastic Stability, McGraw-Hill, 1961.
[46] N.L. Allinger, Journal of American Chemical Society 99 (25) (1977) 8127.
[47] G.M. Odegard, T.S. Gates, L.M. Nicholson, K.E. Wise, Composites Science and
Technology 62 (2002) 1869.
[48] A.K. Rappe, W.A. Goddard III, Journal of Physical Chemistry 95 (1991) 3358.
[49] A.K. Rappe, C.J. Casewit, K.S. Cowell, W.A. GoddardIII, W.M. Skiff, Journal of
American Chemical Society 114 (25) (1992) 10024.
[50] B. Akdim, S.N. Kim, R.R. Naik, B. Maruyama, M.J. Pender, R. Pachter, Nano-
technology 20 (2009) 355705.
[51] T. Vodenitcharova, L.C. Zhang, Physical Review B 68 (16) (2003) 165401.
[52] M. Menon, D. Srivastava, NASA Ames Research Center (1998) 1.
[53] L. Chkhartishvili, I. Murusidze, Material Science and Applications 1 (2010)
223.
[54] M.B. Panchal, S.H. Upadhyay, S.P. Harsha, NANO: Brief Reports and Reviews 7
(4) (2012) 1 1250029.
[55] M.B. Panchal, S.H. Upadhyay, S.P. Harsha, Journal of Nanotechnology in
Engineering and Medicine, Transactions of ASME 3 (3) (2013) 1 031004.
[56] O. Madelung, in: R. Poerschke (Ed.), Data in Science and Technology,
Springer-Verlag, Berlin, 1991, p. 164.
[57] R.G. Knobel, Nature Nanotechnology 3 (2008) 525.
[58] S. Dohn, W. Svendsen, A. Boisen, Review of Scientic Instruments 78 (2007)
103303.
M.B. Panchal, S.H. Upadhyay / Physica E 50 (2013) 7382 82