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Atomistic Mechanics of
Nanoscale Structures: Static
& Dynamic Analyses
Sondipon Adhikari
Where is Swansea?




                          London – UK Capital
                          Less than three hours
                          by car or train
                          (192 miles)



         Wales
          Swansea   Cardiff - Welsh Capital
                    Less than an hour away
                    by car or train
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Swansea University

                     •  29th UK university to
                     be established
                     •  King George V laid the
                     foundation stone of the
                     University in July 1920
                     •  Now over 12,500
                     students - 1,800
                     international
Overview

Ø  Introduction
Ø  Atomistic finite element method
Ø  Carbon nanotubes: static and dynamic analysis, buckling
Ø  Fullerenes: vibration spectra
Ø  Graphene: static and dynamic analysis, composites
Ø  Nanobio sensors: vibrating nanotube and graphene based
  mass sensor
Ø  DNA mechanics
Ø  Conclusions
Research Areas


u  Atomistic finite element method
u  Nonlocal continuum mechanics for nanoscale objects
u  Nanoscale bio sensors
u  Uncertainty quantification in modelling and simulation
u  Dynamic analysis of complex structures
u  Vibration energy harvesting
Collaborators
 u  Prof F Scarpa (University of Bristol)
 u  Dr R Chowdhury, Dr C Wang, Dr A Gil, Prof P Rees
     (Swansea University).
 u  Dr T Murmu, Prof M McCarthy (University of Limerick)

Acknowledgements	

  
Carbon Nanotubes
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Can we use continuum mechanics at the
nanoslace?
                        u  What about the
                            “holes”?
                        u  Can we have an
                            “equivalent” continuum
                            model with “correct”
                            properties?
                        u  How defects can be
                            taken into account ?
Which Young's modulus?


 Effective    Longitudinal           Surface




       F               F                 F
Y11 = 2       Y11 =              s
                               Y11 =
     πR ε11         2πRd ε11           2πRε11
Which Young's modulus?
Yakobson’s paradox




                       (Wang CY, Zhang LC, 2008. Nanotechnology 19, 075705)
                     (Huang Y, Wu J, Hwang K C, 2006. Phys. Rev. B 74, 245413)
Atomistic finite element method

u  Atomic bonds are represented by beam elements
u  Beam properties are obtained by energy balance


          Utotal = Ur +Uθ +Uτ                                                            1                  EA
                                                                                 U axial = K axial (ΔL) 2 =    (ΔL) 2
                                                                                         2                  2L
                                                                                         1                    GJ
                                                                              U torsion = K torsion (Δβ ) 2 =    (Δβ )
    1         2    1         2    1          2                                           2                    2L
Ur = kr ( Δr ) Uθ = kθ ( Δθ ) Uτ = kτ ( Δφ )
    2              2              2                                                    1                   EI 4 + Φ
                                                                          U bending = K bending (2α ) 2 =           (2α ) 2
                                                                                       2                   2L 1+ Φ



Scarpa, F. and Adhikari, S., "A mechanical equivalence for the Poisson's ratio and thickness of C-C bonds in single wall
carbon nanotubes", Journal of Physics D: Applied Physics, 41 (2008) 085306
Atomistic finite element method

   u  All parameters of the beam can be obtained in closed-form:

               4kr L      32kτ L
       E=            , G=
               πd2         πd4

             3kr d 4 ( 6 +12ν + 6ν 2 )
     Φ=
            32kτ L2 ( 7 +12ν + 4ν 2 )
         kr d 2 4Α + Β                                        kτ
    kθ =                                    d<2 6
          16 Α + Β                                            kr
 Α = 112L2 kτ +192L2 kτ ν + 64L2 kτ ν 2
 Β = 9kr d 4 +18kr d 4ν + 9kr d 4ν 2
Scarpa, F. and Adhikari, S., "A mechanical equivalence for the Poisson's ratio and thickness of C-C bonds in single wall
carbon nanotubes", Journal of Physics D: Applied Physics, 41 (2008) 085306
Atomistic Structural Mechanics
       For space frames:
                                                              [K ] {u} = {f }   [K] à stiffness matrix
                                                                                {u} à nodal displacement vector
                                                                                {f} à nodal force vector




  (Weaver Jr., W. and Gere, J.M., 1990. Matrix Analysis of
Framed Structures. (third ed.),, Van Nostrand Reinhold, New
                            York)
Atomistic FE – bending deformation of
SWCNTs




                   (F Scarpa and S Adhikari, 2008. J. Phys. D: App. Phys., 41, 085306)
Atomistic FE – bending deformation of
  SWCNTs bundles
 Similarity between hexagonal
 SWCNT packing bundle and
 structural idealization for wing boxes
Polar moment of inertia for each CNT:
                   4           4
         π ⎡⎛d ⎞ ⎛     d ⎞ ⎤
 I c = ⎢⎜ R + ⎟ − ⎜ R − ⎟ ⎥          (1)
      4 ⎢⎝
        ⎣     2 ⎠ ⎝     2 ⎠ ⎥
                                 ⎦

  Polar moment of inertia for hexagonal packing:
                               2
           ⎛       ⎛ l 02 ⎞   ⎞
I hex   = 4⎜ I c + ⎜ 3 ⎟ Ac ⎟ + 3I c
                    ⎜ 2 ⎟                 (2)
           ⎜       ⎝      ⎠   ⎟
           ⎝                    ⎠
                                                          ⎡ 20 3πR 3 d        7 3πRd 3        64 3πR 2 tVdW d 16 3πRtVdW d ⎤
                                                                                                                      2
                                                  Y f = Y ⎢               4
                                                                             +             4
                                                                                             +               4
                                                                                                               +           4 ⎥
    Flexural modulus of the nanbundle:                    ⎢ 3(2 R + tVdW ) 33(2 R + tVdW ) 11(2R + tVdW ) 11(2R + tVdW ) ⎥
                                                          ⎣                                                                 ⎦

                   I hex
        Yf = Y                              (3)
                    Ih                                (F Scarpa and S Adhikari, 2008. J. Phys. D: App. Phys., 41, 085306)
Atomistic FE – bending deformation of
SWCNTs bundles




                     (F Scarpa and S Adhikari, 2008. J. Phys. D: App. Phys., 41, 085306)
Buckling of Carbon nanotubes




         (a) Molecular dynamics




   (b) Hyperplastic atomistic FE (Ogden
   strain energy density function )


Comparison of buckling
mechanisms in a (5,5) SWCNT
with 5.0 nm length.                       Flores, E. I. S., Adhikari, S., Friswell, M. I. and Scarpa, F., "Hyperelastic axial
                                          buckling of single wall carbon nanotubes", Physica E: Low-dimensional
                                          Systems and Nanostructures, 44[2] (2011), pp. 525-529.
Carbon nanotubes with defects
u  We are interested in the changes in the mechanical
    properties




                             Scarpa, F., Adhikari, S. and Wang, C. Y., "Mechanical properties of non
                             reconstructed defective single wall carbon nanotubes", Journal of Physics D:
                             Applied Physics, 42 (2009) 142002
                         !
Carbon nanotubes with defects




(a) Ratio between mean of axial Young’s modulus and pristine stiffness and (b)
between standard deviation of the Young’s modulus against pristine Young’s
modulus for armchair (n,n). Pristine Young’s modulus Y0: 2.9, 1.36, 0.91, 0.67
TPa for a thickness d = 0.084 nm. ● = 2 % NRV; ■ = 1.5 % NRV; ▲= 1 % NRV;
♦= 0.5 % NRV
Fullerene
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Vibration spectra of fullerene family
              The variation of the first natural frequency across the
              the complete range of fullerenes. The 8 spherical
              type of fullerenes include C60 , C80 , C180 , C60 ,
              C240 , C260 , C320 , C500 , C720
               and the 8 ellipsoidal (or non-spherical) type of
              fullerenes include C20 , C30 , C40 , C50 , C70 , C90 ,
              C100 and C540 (fullerenes are not drawn in scale).




                             Adhikari, S. and Chowdhury, R., "Vibration spectra of fullerene family", Physics
                             Letters A, 375[22] (2011), pp. 1276-1280.
Thin shell theory
The natural frequencies of spherical fullerenes can be given by
Atomistic Simulation vs Shell theory

                  30                                                             30
                         b2                   C80   C                                 b2
                                                    60
                  25     a0                                                      25   a0




                                                               Frequency (THz)
Frequency (THz)




                  20     a1                                                      20
                                C260 C180                                                                                   C20
                          a2 C240
                  15          C320                                               15                              C30
                         C500                                                                            C50
                  10 C                                                           10
                       740                                                                        C90          C40
                   5                                                             5 C                     C70
                                                                                    540           C100
                   0                                                             0
                  0.01           0.02      0.03         0.04                      0        0.02       0.04               0.06     0.08
                                                                                                     1/2        1/2
                                  1/M (amu 1/2)
                                      1/2                                                         1/M (amu           )

                  Spherical type fullerenes                                            Ellipsoidal type fullerenes
Graphene
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Atomistic FE – in-plane SLGS




                      (F Scarpa, S Adhikari, A S Phani, 2009. Nanotechnology 20, 065709)
Atomistic FE vs Continuum – SLGS




Circular SLGS (R = 9: 5 nm)                             Deformation of rectangular SLGS
under central loading. Distribution                     (15.1 x 13.03 nm2) under central
of equivalent membrane stresses.                        loading.

                        Scarpa, F., Adhikari, S., Gil, A. J. and Remillat, C., "The bending of single layer graphene
                        sheets: Lattice versus continuum approach", Nanotechnology, 21[12] (2010), pp. 125702:1-9.
Axtomistic FE vs Continuum – SLGS
           35
                  Lattice R = 2.5 nm                                  35
                                                                            Lattice a = 3.88 nm
           30     Continuum R = 2.5 nm                                      Continuum a = 3.88 nm
                  Lattice R = 5.0 nm                                  30    Lattice a = 5.0 nm
                  Continuum R = 5.0 nm                                      Continuum a = 5.0 nm
           25
                                                                      25    Lattice a = 15.1 nm
                  Lattice R = 9.5 nm                                        Continuum a = 15.1 nm
           20     Continuum R = 9.5 nm                                      Eq. (18)




                                                         F a b/Y/d3
FR2/Y/d3




                                                                      20
                  Eq. (17)
           15                                                         15


           10                                                         10


            5                                                          5


            0                                                          0
             0    0.5        1       1.5   2   2.5   3                  0     0.5             1           1.5   2
                                     w/d                                                            w/d




            Comparison of the nondimensional force vs. nondimensional out-of-plane displacement for
            circular and rectangular lattice and continuum SLGS.
Analytical approach for SLGS –
honeycomb structure
                               C-C bonds deform under stretching and hinging
                                       8kτ
                               Kh =             Hinging constant related to thickness d
                                       d2

                                 Applying averaging of stretching and
                                 hinging deformation over unit cell:

                                         4 3k r K h                    4 3k r K h
                                E1 =                          E2 =
                                       3d (k r + 3K h )              3d (k r + 3K h )
                                                1 − K h kr                3K h k r
                               ν 21 = ν 12 =                  G12 =
                                               1 + 3 K h kr           3d (k r + K h )
                                •            Isotropic for “infinite” graphene sheet
                                •            Orthotropic for finite size graphene
                                             and considering edge effects

                   F Scarpa, S Adhikari, A S Phani, 2009. Nanotechnology 20, 065709
Analytical approach for SLGS –
honeycomb structure
                                                                Unit cell made by rods withstanding axial and
                                                                bending deformation

                                                                           4 Lk r       Equivalent Young’s modulus for
                                                                Ya −f =                 axial members
                                                                           πd s2
                                                                           16kθ         Equivalent Young’s modulus for
                                                                Yg − n =
                                                                           πLd b2       axial members

                                                                 A Rigidity matrix is obtained using a lattice
                                                                 continuum modelling of space frames à
                                                                 equivalence with plane stress formulation for a
                                                                 plane sheet:

                                                                         1 4 3                                1
                                                                  E=                (
                                                                                  k r L2 + 12 kθ   ) ν    =
                                                                       d max 9 L2
                                                                                                              3
    F Scarpa, S Adhikari, A S Phani, 2009. Nanotechnology 20, 065709
    (L Kollár and I Hegedús. Analysis and design of space frames by the Continuum Method. Developments in Civil Engineering, 10.
    Elsevier, Amsterdam, 1985)
Atomistic FE – Bilayer Graphene
                                 • Equivalent to structural “sandwich” beams
                                 • C-C bonds in graphene layers represented with
                                 classical equivalent beam models
                                 • “Core” represented by Lennard-Jones potential
                                 interactions:

                                                                            rmin = 0.383 nm
                                                                            ε = 2.39 meV




                    Ef =0.5 TPa (I.W. Frank, D.M. Tanenbaum, A.M. van der Zande,
                    P.L. McEuen, J. Vac. Sci. Technol. B 25 (2007) 2558)


                 Scarpa, F., Adhikari, S. and Chowdhury, R., "The transverse elasticity of bilayer
                 graphene", Physics Letters A, 374[19-20] (2010), pp. 2053-2057.
Mechanical vibration of SLGS
Lumped mass matrix:




Minimisation of the Hamiltonian for the ith mode:




Comparison against Molecular Mechanics
model based on the eigenvalue analysis of
the system Hessian matrix


   Scarpa, F., Chowdhury, R., Kam, K., Adhikari, S. and Ruzzene, M., "Wave propagation in graphene nanoribbons", Nanoscale Research
   Letters, 6 (2011), pp. 430:1-10.
   Chowdhury, R., Adhikari, S., Scarpa, F. and Friswell, M. I., "Transverse vibration of single layer graphene sheets", Journal of Physics D:
   Applied Physics, 44[20] (2011), pp. 205401:1-11.
Mechanical vibration of SLGS




                          • (8,0) nanoribbons with different lengths
                          • Errors between 2 and 3 %
                          • Average thickness d = 0.077 nm
Graphene composites
                                                    Polymer Matrix



                                                    Graphene sheet




                                                  van der Waals interaction


        250
                                 Armchair GRP2
                                 Zigzag GRP4
        200


        150
(GHz)
   1




        100


         50


          0
           0   5       10          15        20
                   Length (nm)                                 Chandra, Y., Chowdhury, R., Scarpa, F., Adhikari, S. and Seinz, J.,
                                                               "Multiscale modeling on dynamic behaviour of graphene based
                                                               composites", Materials Science and Engineering B, in press.
Nanobio Sensors
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Vibration based mass sensor: CNT




     Point mass                                                   Distributed mass
Chowdhury, R., Adhikari, S. and Mitchell, J., "Vibrating carbon
nanotube based bio-sensors", Physica E: Low-dimensional             Adhikari, S. and Chowdhury, R., "The calibration of carbon
Systems and Nanostructures, 42[2] (2009), pp. 104-109.              nanotube based bio-nano sensors", Journal of Applied Physics,
                                                                    107[12] (2010), pp. 124322:1-8
Vibration based mass sensor: CNT
The equation of motion of free-vibration:

The resonance frequencies:

The Mode shapes:




We use energy principles to obtain the frequency shift due to the
added mass.
Vibration based mass sensor: CNT
Natural frequency with the added mass:



                                  Identification of the added mass
Vibration based mass sensor: CNT
      Mass of a nano object can be detected from the frequency shift        Δf




Adhikari, S. and Chowdhury, R., "The calibration of carbon nanotube based
bio-nano sensors", Journal of Applied Physics, 107[12] (2010), pp.
124322:1-8
Vibration based mass sensor: CNT
      Mass of a nano object can be detected from the frequency shift                                                                                                    Δf

                                                                                                         0.45

                                                                                                          0.4   Molecular mechanics
                                                                                                                Exact solution
                                                                                                         0.35   Calibration constant based approach




                                                                            AL
                                                                                                          0.3




                                                                            Normalized added mass: M /
                                                                                                         0.25

                                                                                                          0.2

                                                                                                         0.15

CNT with deoxythymidine                                                                                   0.1

                                                                                                         0.05


Adhikari, S. and Chowdhury, R., "The calibration of carbon nanotube based                                  0
                                                                                                            0   0.05     0.1      0.15       0.2       0.25       0.3    0.35   0.4
bio-nano sensors", Journal of Applied Physics, 107[12] (2010), pp.                                                             Relative frequency shift: f / f
124322:1-8	

                                                                                                                                                n0
Vibration based mass sensor: Graphene
 Vibrating graphene sheets can be used as sensors with different
 mass arrangements
Vibration based mass sensor: Graphene
 Relative added mass:
Vibration based mass sensor: Graphene
     Vibrating graphene sheets can be used as sensors with different
     mass arrangements
                                                                             1
      edge
Fixed                                                                             Molecular mechanics
                                                                            0.9   Proposed approach




                                     Normalized added mass: µ = M / ( ab)
                                                                            0.8

                                                                            0.7

                                                                            0.6

                                                                            0.5

                                                                            0.4


   SLGS with adenosine                                                      0.3

                                                                            0.2

                                                                            0.1

                                                                             0
                                                                              0     0.1       0.2         0.3         0.4      0.5   0.6
                                                                                            Relative frequency shift: f / f0
Boron Nitride Nanotube and Nanosheets
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Axial vibration of BNNT




         (a)	



(a) Axial vibration and its
associated frequency of (b)
zigzag and (c) armchair
BNNTs given by the MM
simulations (discrete dots)
and a column model with
Young’s modulus 1TPa
                                                                                                                          !
(solid lines).                Chowdhury, R., Wang, C. W., Adhikari, S. and Scarpa, F., "Vibration and symmetry-breaking
                              of boron nitride nanotubes", Nanotechnology, 21[36] (2010), pp. 365702:1-9.
Torsional vibration of BNNT




             (a)	

(a) Torsional vibration and its
associated frequency of (b) zigzag
and (c) armchair BNNTs given by
the MM simulations (discrete dots)
and a column model with shear
modulus 0.41TPa (solid lines).
                                                                                                                                 !

                                     Chowdhury, R., Wang, C. W., Adhikari, S. and Scarpa, F., "Vibration and symmetry-breaking
                                     of boron nitride nanotubes", Nanotechnology, 21[36] (2010), pp. 365702:1-9.
Optimised shape of BNNT



                 (a)



                                   (d)



                          Optimized configuration
                 (b)      of armchair BNNTs: (a)
                          (3, 3), (b) (4,4) and (c)
                          (6,6) with the aspect
                          ratio 15, and (d) short
   (c)
                          (6, 6) with the aspect
                          ratio 2.
Mechanical property of BN Sheets




 Example of armchair (4, 0) BN sheet.
 Boron atoms are in red, nitrogen
 atoms are in green.             Boldrin, L., Scarpa, F., Chowdhury, R., Adhikari, S. and Ruzzene, M., "Effective mechanical
                                                   properties of hexagonal boron nitride nanosheets", Nanotechnology, 22[50] (2011), pp.
                                                   505702:1-7.
DNA Mechanics
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Atomistic FE of DNA
 From protein data bank file to ANSYS input file – a new code for
 automatic translation
Atomistic FE of DNA
 Material properties of the beams are obtained depending on the
 nature of the bonds




                                             Mode 6 (MM:111.696; FE 112.71 GHz)	

      Mode 3 (MM:33.679; FE 38.768 GHz)
Conclusions
Ø  Atomistic finite element method is developed for general
    nanosalce structures:
     §  Carbon nanotube
     §  Fullerenes
     §  Graphene
     §  Nanoscale bio sensors
Ø  Programs have been written to convert pdb files to Finite Element
    geometry file and material properties
Ø  Encouraging results compared to MM simulation were obtained
Ø  Future: nonlinearity, large-scale problems such as proteins &
    nanocomposites, molecular dynamic simulations, experimental
    validation
References
1.   Murmu, T. and Adhikari, S., "Nonlocal frequency analysis of nanoscale biosensors", Sensors & Actuators: A.
     Physical, 173[1] (2012), pp. 41-48.
2.  Boldrin, L., Scarpa, F., Chowdhury, R., Adhikari, S. and Ruzzene, M., "Effective mechanical properties of
     hexagonal boron nitride nanosheets", Nanotechnology, 22[50] (2011), pp. 505702:1-7.
3.  Murmu, T., Seinz, J., Adhikari, S. and Arnold, C., "Nonlocal buckling behaviour of bonded double-nanoplate-
     system", Journal of Applied Physics, 110[8] (2011), pp. 084316:1-8.
4.  Flores, E. I. S., Adhikari, S., Friswell, M. I. and Scarpa, F., "Hyperelastic axial buckling of single wall carbon
     nanotubes", Physica E: Low-dimensional Systems and Nanostructures, 44[2] (2011), pp. 525-529.
5.  Murmu, T. and Adhikari, S., "Nonlocal vibration of bonded double-nanoplate-systems", Composites Part B:
     Engineering, 42[7] (2011), pp. 1901-1911.
6.  Chandra, Y., Chowdhury, R., Adhikari, S. and Scarpa, F., "Elastic instability of bilayer graphene using atomistic
     finite element", Physica E: Low-dimensional Systems and Nanostructures, 44[1] (2011), pp. 12-16.	
  
7.  Scarpa, F., Chowdhury, R., Kam, K., Adhikari, S. and Ruzzene, M., "Wave propagation in graphene
     nanoribbons", Nanoscale Research Letters, 6 (2011), pp. 430:1-10.	
  
8.  Chowdhury, R. and Adhikari, S., "Boron nitride nanotubes as zeptogram-scale bio-nano sensors: Theoretical
     investigations", IEEE Transactions on Nanotechnology, 10[4] (2011), pp. 659-667.	
  
9.  Chandra, Y., Chowdhury, R., Scarpa, F. and Adhikari, S., "Vibrational characteristics of bilayer graphene
     sheets", Thin Solid Films, 519[18] (2011), pp. 6026-6032.	
  
10.  Adhikari, S. and Chowdhury, R., "Vibration spectra of fullerene family", Physics Letters A, 375[22] (2011), pp.
     1276-1280.	
  
References
11.  Murmu, T., Adhikari, S. and Wang, C. W., "Torsional vibration of carbon nanotube-buckyball systems based on
     nonlocal elasticity theory", Physica E: Low-dimensional Systems and Nanostructures, 43[6] (2011), pp.
     1276-1280.	
  
12.  Wang, C. W. and Adhikari, S., "ZnO-CNT composite nanowires as nanoresonators", Physics Letters A, 375[22]
     (2011), pp. 2171-2175.	
  
13.  Chowdhury, R., Adhikari, S., Scarpa, F. and Friswell, M. I., "Transverse vibration of single layer graphene
     sheets", Journal of Physics D: Applied Physics, 44[20] (2011), pp. 205401:1-11.	
  
14.  Scarpa, F., Chowdhury, R., and Adhikari, S., "Thickness and in-plane elasticity of Graphane", Physics Letters
     A, 375[20] (2011), pp. 2071-2074.	
  
15.  Wang, C. W., Murmu, T. and Adhikari, S., "Mechanisms of nonlocal effect on the vibration of nanoplates",
     Applied Physics Letters, 98[15] (2011), pp. 153101:1-3.	
  
16.  Murmu, T. and Adhikari, S., "Nonlocal vibration of carbon nanotubes with attached buckyballs at tip",
     Mechanics Research Communications, 38[1] (2011), pp. 62-67.	
  
17.  Chowdhury, R., Adhikari, S. and Scarpa, F., "Vibrational analysis of ZnO nanotubes: A molecular mechanics
     approach", Applied Physics A, 102[2] (2011), pp. 301-308.	
  
18.  Chowdhury, R., Adhikari, S., Rees, P., Scarpa, F., and Wilks, S.P., "Graphene based bio-sensor using
     transport properties", Physical Review B, 83[4] (2011), pp. 045401:1-8.	
  
19.  Murmu, T. and Adhikari, S., "Axial instability of double-nanobeam-systems", Physics Letters A, 375[3] (2011),
     pp. 601-608.	
  
20.  Flores, E. I. S., Adhikari, S., Friswell, M. I. and F. Scarpa, "Hyperelastic finite element model for single wall
     carbon nanotubes in tension", Computational Materials Science, 50[3] (2011), pp. 1083-1087.	
  
References
21.  Murmu, T. and Adhikari, S., "Scale-dependent vibration analysis of prestressed carbon nanotubes undergoing
     rotation", Journal of Applied Physics, 108[12] (2010), pp. 123507:1-7.	
  
22.  Scarpa, F., Adhikari, S. and Phani, A. Srikanth, "Auxeticity in single layer graphene sheets", International
     Journal of Novel Materials, 1[2] (2010), pp. 39-43.	
  
23.  Murmu, T. and Adhikari, S., "Nonlocal effects in the longitudinal vibration of double-nanorod systems", Physica
     E: Low-dimensional Systems and Nanostructures, 43[1] (2010), pp. 415-422.	
  
24.  Murmu, T. and Adhikari, S., "Nonlocal transverse vibration of double-nanobeam-systems", Journal Applied
     Physics, 108[8] (2010), pp. 083514:1-9.	
  
25.  Scarpa, F., Peng, H. X., Boldri, L., Remillat, C. D. L., Adhikari, S., "Coupled thermo-mechanics of single-wall
     carbon nanotubes", Applied Physics Letters, 97[15] (2010), pp. 151903:1-3.	
  
26.  Chowdhury, R., Adhikari, S., Rees, P., "Optical properties of silicon doped ZnO", Physica B: Condensed
     Matter, 405[23] (2010), pp. 4763-4767.	
  
27.  Chowdhury, R., Wang, C. W., Adhikari, S. and Scarpa, F., "Vibration and symmetry-breaking of boron nitride
     nanotubes", Nanotechnology, 21[36] (2010), pp. 365702:1-9.	
  
28.  Wang, C. Y., Zhao, Y., Adhikari, S. and Feng, Y. T., "Vibration of axially strained triple-wall carbon nanotubes",
     Journal of Computational and Theoretical Nanoscience, 7[11] (2010), pp. 2176-2185.	
  
29.  Adhikari, S. and Chowdhury, R., "The calibration of carbon nanotube based bio-nano sensors", Journal of
     Applied Physics, 107[12] (2010), pp. 124322:1-8.	
  
30.  Chowdhury, R., Wang, C. Y., Adhikari, S., and Tong, F. M., "Sliding oscillations of multiwall carbon nanotubes",
     Physica E: Low-dimensional Systems and Nanostructures, 42[9] (2010), pp. 2295-2300.	
  
References
31.  Chowdhury, R., Adhikari, S., Wang, C. W. and Scarpa, F., "A molecular mechanics approach for the vibration
     of single walled carbon nanotubes", Computational Materials Science, 48[4] (2010), pp. 730-735.	
  
32.  Wang, C. Y., Li, C. F., and Adhikari, S., "Axisymmetric vibration of singlewall carbon nanotubes in water",
     Physics Letters A, 374[24] (2010), pp. 2467-2474.	
  
33.  Chowdhury, R., Adhikari, S. and Scarpa, F., "Elasticity and piezoelectricity of zinc oxide nanostructure",
     Physica E: Low-dimensional Systems and Nanostructures, 42[8] (2010), pp. 2036-2040.	
  
34.  Gil, A. J., Adhikari, S., Scarpa, F., and Bonet, J., "The formation of wrinkles in single layer graphene sheets
     under nanoindentation", Journal of Physics: Condensed Matter, 22[14] (2010), pp. 145302:1-6.	
  
35.  Scarpa, F., Adhikari, S. and Chowdhury, R., "The transverse elasticity of bilayer graphene", Physics Letters A,
     374[19-20] (2010), pp. 2053-2057.	
  
36.  Scarpa, F., Adhikari, S., Gil, A. J. and Remillat, C., "The bending of single layer graphene sheets: Lattice
     versus continuum approach", Nanotechnology, 21[12] (2010), pp. 125702:1-9.	
  
37.  Chowdhury, R., Rees, P., Adhikari, S., Scarpa, F., and Wilks, S.P., "Electronic structures of silicon doped ZnO",
     Physica B: Condensed Matter, 405[8] (2010), pp. 1980-1985.	
  
38.  Scarpa, F., Adhikari, S. and Wang, C. Y., "Nanocomposites with auxetic nanotubes", International Journal of
     Smart and Nanomaterials, 1[2] (2010), pp. 83-94.	
  
39.  Chowdhury, R., Wang, C. Y. and Adhikari, S., "Low-frequency vibration of multiwall carbon nanotubes with
     heterogeneous boundaries", Journal of Physics D: Applied Physics, 43[11] (2010), pp. 085405:1-8.	
  
40.  Chowdhury, R., Adhikari, S. and Mitchell, J., "Vibrating carbon nanotube based bio-sensors", Physica E: Low-
     dimensional Systems and Nanostructures, 42[2] (2009), pp. 104-109.	
  
References
41.  Scarpa, F., Adhikari, S. and Wang, C. Y., "Mechanical properties of non reconstructed defective single wall
     carbon nanotubes", Journal of Physics D: Applied Physics, 42 (2009) 142002 (6pp).	
  
42.  Wang, C. Y., Li, C. F., and Adhikari, S., "Dynamic behaviors of microtubules in cytosol", Journal of
     Biomechanics, 42[9] (2009), pp. 1270-1274.	
  
43.  Tong, F. M., Wang, C. Y., and Adhikari, S., "Axial buckling of multiwall carbon nanotubes with heterogeneous
     boundary conditions", Journal of Applied Physics, 105 (2009), pp. 094325:1-7.	
  
44.  Scarpa, F., Adhikari, S. and Phani, A. Srikanth, "Effective mechanical properties of single graphene sheets",
     Nanotechnology, 20[1-2] (2009), pp. 065709:1-11.	
  
45.  Scarpa, F. and Adhikari, S., "Uncertainty modelling of carbon nanotube terahertz oscillators", Journal of Non-
     Crystalline Solids, 354[35-39] (2008), pp. 4151-4156.	
  
46.  Scarpa, F. and Adhikari, S., "A mechanical equivalence for the Poisson's ratio and thickness of C-C bonds in
     single wall carbon nanotubes", Journal of Physics D: Applied Physics, 41 (2008) 085306 (5pp).	
  

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Statics and dynamics of nanoscale structures

  • 1. Atomistic Mechanics of Nanoscale Structures: Static & Dynamic Analyses Sondipon Adhikari
  • 2. Where is Swansea? London – UK Capital Less than three hours by car or train (192 miles) Wales Swansea Cardiff - Welsh Capital Less than an hour away by car or train
  • 3. Title of presentation Click to edit subtitle style
  • 4. Swansea University •  29th UK university to be established •  King George V laid the foundation stone of the University in July 1920 •  Now over 12,500 students - 1,800 international
  • 5. Overview Ø  Introduction Ø  Atomistic finite element method Ø  Carbon nanotubes: static and dynamic analysis, buckling Ø  Fullerenes: vibration spectra Ø  Graphene: static and dynamic analysis, composites Ø  Nanobio sensors: vibrating nanotube and graphene based mass sensor Ø  DNA mechanics Ø  Conclusions
  • 6. Research Areas u  Atomistic finite element method u  Nonlocal continuum mechanics for nanoscale objects u  Nanoscale bio sensors u  Uncertainty quantification in modelling and simulation u  Dynamic analysis of complex structures u  Vibration energy harvesting
  • 7. Collaborators u  Prof F Scarpa (University of Bristol) u  Dr R Chowdhury, Dr C Wang, Dr A Gil, Prof P Rees (Swansea University). u  Dr T Murmu, Prof M McCarthy (University of Limerick) Acknowledgements   
  • 9. Can we use continuum mechanics at the nanoslace? u  What about the “holes”? u  Can we have an “equivalent” continuum model with “correct” properties? u  How defects can be taken into account ?
  • 10. Which Young's modulus? Effective Longitudinal Surface F F F Y11 = 2 Y11 = s Y11 = πR ε11 2πRd ε11 2πRε11
  • 12. Yakobson’s paradox (Wang CY, Zhang LC, 2008. Nanotechnology 19, 075705) (Huang Y, Wu J, Hwang K C, 2006. Phys. Rev. B 74, 245413)
  • 13. Atomistic finite element method u  Atomic bonds are represented by beam elements u  Beam properties are obtained by energy balance Utotal = Ur +Uθ +Uτ 1 EA U axial = K axial (ΔL) 2 = (ΔL) 2 2 2L 1 GJ U torsion = K torsion (Δβ ) 2 = (Δβ ) 1 2 1 2 1 2 2 2L Ur = kr ( Δr ) Uθ = kθ ( Δθ ) Uτ = kτ ( Δφ ) 2 2 2 1 EI 4 + Φ U bending = K bending (2α ) 2 = (2α ) 2 2 2L 1+ Φ Scarpa, F. and Adhikari, S., "A mechanical equivalence for the Poisson's ratio and thickness of C-C bonds in single wall carbon nanotubes", Journal of Physics D: Applied Physics, 41 (2008) 085306
  • 14. Atomistic finite element method u  All parameters of the beam can be obtained in closed-form: 4kr L 32kτ L E= , G= πd2 πd4 3kr d 4 ( 6 +12ν + 6ν 2 ) Φ= 32kτ L2 ( 7 +12ν + 4ν 2 ) kr d 2 4Α + Β kτ kθ = d<2 6 16 Α + Β kr Α = 112L2 kτ +192L2 kτ ν + 64L2 kτ ν 2 Β = 9kr d 4 +18kr d 4ν + 9kr d 4ν 2 Scarpa, F. and Adhikari, S., "A mechanical equivalence for the Poisson's ratio and thickness of C-C bonds in single wall carbon nanotubes", Journal of Physics D: Applied Physics, 41 (2008) 085306
  • 15. Atomistic Structural Mechanics For space frames: [K ] {u} = {f } [K] à stiffness matrix {u} à nodal displacement vector {f} à nodal force vector (Weaver Jr., W. and Gere, J.M., 1990. Matrix Analysis of Framed Structures. (third ed.),, Van Nostrand Reinhold, New York)
  • 16. Atomistic FE – bending deformation of SWCNTs (F Scarpa and S Adhikari, 2008. J. Phys. D: App. Phys., 41, 085306)
  • 17. Atomistic FE – bending deformation of SWCNTs bundles Similarity between hexagonal SWCNT packing bundle and structural idealization for wing boxes Polar moment of inertia for each CNT: 4 4 π ⎡⎛d ⎞ ⎛ d ⎞ ⎤ I c = ⎢⎜ R + ⎟ − ⎜ R − ⎟ ⎥ (1) 4 ⎢⎝ ⎣ 2 ⎠ ⎝ 2 ⎠ ⎥ ⎦ Polar moment of inertia for hexagonal packing: 2 ⎛ ⎛ l 02 ⎞ ⎞ I hex = 4⎜ I c + ⎜ 3 ⎟ Ac ⎟ + 3I c ⎜ 2 ⎟ (2) ⎜ ⎝ ⎠ ⎟ ⎝ ⎠ ⎡ 20 3πR 3 d 7 3πRd 3 64 3πR 2 tVdW d 16 3πRtVdW d ⎤ 2 Y f = Y ⎢ 4 + 4 + 4 + 4 ⎥ Flexural modulus of the nanbundle: ⎢ 3(2 R + tVdW ) 33(2 R + tVdW ) 11(2R + tVdW ) 11(2R + tVdW ) ⎥ ⎣ ⎦ I hex Yf = Y (3) Ih (F Scarpa and S Adhikari, 2008. J. Phys. D: App. Phys., 41, 085306)
  • 18. Atomistic FE – bending deformation of SWCNTs bundles (F Scarpa and S Adhikari, 2008. J. Phys. D: App. Phys., 41, 085306)
  • 19. Buckling of Carbon nanotubes (a) Molecular dynamics (b) Hyperplastic atomistic FE (Ogden strain energy density function ) Comparison of buckling mechanisms in a (5,5) SWCNT with 5.0 nm length. Flores, E. I. S., Adhikari, S., Friswell, M. I. and Scarpa, F., "Hyperelastic axial buckling of single wall carbon nanotubes", Physica E: Low-dimensional Systems and Nanostructures, 44[2] (2011), pp. 525-529.
  • 20. Carbon nanotubes with defects u  We are interested in the changes in the mechanical properties Scarpa, F., Adhikari, S. and Wang, C. Y., "Mechanical properties of non reconstructed defective single wall carbon nanotubes", Journal of Physics D: Applied Physics, 42 (2009) 142002 !
  • 21. Carbon nanotubes with defects (a) Ratio between mean of axial Young’s modulus and pristine stiffness and (b) between standard deviation of the Young’s modulus against pristine Young’s modulus for armchair (n,n). Pristine Young’s modulus Y0: 2.9, 1.36, 0.91, 0.67 TPa for a thickness d = 0.084 nm. ● = 2 % NRV; ■ = 1.5 % NRV; ▲= 1 % NRV; ♦= 0.5 % NRV
  • 23. Vibration spectra of fullerene family The variation of the first natural frequency across the the complete range of fullerenes. The 8 spherical type of fullerenes include C60 , C80 , C180 , C60 , C240 , C260 , C320 , C500 , C720 and the 8 ellipsoidal (or non-spherical) type of fullerenes include C20 , C30 , C40 , C50 , C70 , C90 , C100 and C540 (fullerenes are not drawn in scale). Adhikari, S. and Chowdhury, R., "Vibration spectra of fullerene family", Physics Letters A, 375[22] (2011), pp. 1276-1280.
  • 24. Thin shell theory The natural frequencies of spherical fullerenes can be given by
  • 25. Atomistic Simulation vs Shell theory 30 30 b2 C80 C b2 60 25 a0 25 a0 Frequency (THz) Frequency (THz) 20 a1 20 C260 C180 C20 a2 C240 15 C320 15 C30 C500 C50 10 C 10 740 C90 C40 5 5 C C70 540 C100 0 0 0.01 0.02 0.03 0.04 0 0.02 0.04 0.06 0.08 1/2 1/2 1/M (amu 1/2) 1/2 1/M (amu ) Spherical type fullerenes Ellipsoidal type fullerenes
  • 27. Atomistic FE – in-plane SLGS (F Scarpa, S Adhikari, A S Phani, 2009. Nanotechnology 20, 065709)
  • 28. Atomistic FE vs Continuum – SLGS Circular SLGS (R = 9: 5 nm) Deformation of rectangular SLGS under central loading. Distribution (15.1 x 13.03 nm2) under central of equivalent membrane stresses. loading. Scarpa, F., Adhikari, S., Gil, A. J. and Remillat, C., "The bending of single layer graphene sheets: Lattice versus continuum approach", Nanotechnology, 21[12] (2010), pp. 125702:1-9.
  • 29. Axtomistic FE vs Continuum – SLGS 35 Lattice R = 2.5 nm 35 Lattice a = 3.88 nm 30 Continuum R = 2.5 nm Continuum a = 3.88 nm Lattice R = 5.0 nm 30 Lattice a = 5.0 nm Continuum R = 5.0 nm Continuum a = 5.0 nm 25 25 Lattice a = 15.1 nm Lattice R = 9.5 nm Continuum a = 15.1 nm 20 Continuum R = 9.5 nm Eq. (18) F a b/Y/d3 FR2/Y/d3 20 Eq. (17) 15 15 10 10 5 5 0 0 0 0.5 1 1.5 2 2.5 3 0 0.5 1 1.5 2 w/d w/d Comparison of the nondimensional force vs. nondimensional out-of-plane displacement for circular and rectangular lattice and continuum SLGS.
  • 30. Analytical approach for SLGS – honeycomb structure C-C bonds deform under stretching and hinging 8kτ Kh = Hinging constant related to thickness d d2 Applying averaging of stretching and hinging deformation over unit cell: 4 3k r K h 4 3k r K h E1 = E2 = 3d (k r + 3K h ) 3d (k r + 3K h ) 1 − K h kr 3K h k r ν 21 = ν 12 = G12 = 1 + 3 K h kr 3d (k r + K h ) •  Isotropic for “infinite” graphene sheet •  Orthotropic for finite size graphene and considering edge effects F Scarpa, S Adhikari, A S Phani, 2009. Nanotechnology 20, 065709
  • 31. Analytical approach for SLGS – honeycomb structure Unit cell made by rods withstanding axial and bending deformation 4 Lk r Equivalent Young’s modulus for Ya −f = axial members πd s2 16kθ Equivalent Young’s modulus for Yg − n = πLd b2 axial members A Rigidity matrix is obtained using a lattice continuum modelling of space frames à equivalence with plane stress formulation for a plane sheet: 1 4 3 1 E= ( k r L2 + 12 kθ ) ν = d max 9 L2 3 F Scarpa, S Adhikari, A S Phani, 2009. Nanotechnology 20, 065709 (L Kollár and I Hegedús. Analysis and design of space frames by the Continuum Method. Developments in Civil Engineering, 10. Elsevier, Amsterdam, 1985)
  • 32. Atomistic FE – Bilayer Graphene • Equivalent to structural “sandwich” beams • C-C bonds in graphene layers represented with classical equivalent beam models • “Core” represented by Lennard-Jones potential interactions: rmin = 0.383 nm ε = 2.39 meV Ef =0.5 TPa (I.W. Frank, D.M. Tanenbaum, A.M. van der Zande, P.L. McEuen, J. Vac. Sci. Technol. B 25 (2007) 2558) Scarpa, F., Adhikari, S. and Chowdhury, R., "The transverse elasticity of bilayer graphene", Physics Letters A, 374[19-20] (2010), pp. 2053-2057.
  • 33. Mechanical vibration of SLGS Lumped mass matrix: Minimisation of the Hamiltonian for the ith mode: Comparison against Molecular Mechanics model based on the eigenvalue analysis of the system Hessian matrix Scarpa, F., Chowdhury, R., Kam, K., Adhikari, S. and Ruzzene, M., "Wave propagation in graphene nanoribbons", Nanoscale Research Letters, 6 (2011), pp. 430:1-10. Chowdhury, R., Adhikari, S., Scarpa, F. and Friswell, M. I., "Transverse vibration of single layer graphene sheets", Journal of Physics D: Applied Physics, 44[20] (2011), pp. 205401:1-11.
  • 34. Mechanical vibration of SLGS • (8,0) nanoribbons with different lengths • Errors between 2 and 3 % • Average thickness d = 0.077 nm
  • 35. Graphene composites Polymer Matrix Graphene sheet van der Waals interaction 250 Armchair GRP2 Zigzag GRP4 200 150 (GHz) 1 100 50 0 0 5 10 15 20 Length (nm) Chandra, Y., Chowdhury, R., Scarpa, F., Adhikari, S. and Seinz, J., "Multiscale modeling on dynamic behaviour of graphene based composites", Materials Science and Engineering B, in press.
  • 37. Vibration based mass sensor: CNT Point mass Distributed mass Chowdhury, R., Adhikari, S. and Mitchell, J., "Vibrating carbon nanotube based bio-sensors", Physica E: Low-dimensional Adhikari, S. and Chowdhury, R., "The calibration of carbon Systems and Nanostructures, 42[2] (2009), pp. 104-109. nanotube based bio-nano sensors", Journal of Applied Physics, 107[12] (2010), pp. 124322:1-8
  • 38. Vibration based mass sensor: CNT The equation of motion of free-vibration: The resonance frequencies: The Mode shapes: We use energy principles to obtain the frequency shift due to the added mass.
  • 39. Vibration based mass sensor: CNT Natural frequency with the added mass: Identification of the added mass
  • 40. Vibration based mass sensor: CNT Mass of a nano object can be detected from the frequency shift Δf Adhikari, S. and Chowdhury, R., "The calibration of carbon nanotube based bio-nano sensors", Journal of Applied Physics, 107[12] (2010), pp. 124322:1-8
  • 41. Vibration based mass sensor: CNT Mass of a nano object can be detected from the frequency shift Δf 0.45 0.4 Molecular mechanics Exact solution 0.35 Calibration constant based approach AL 0.3 Normalized added mass: M / 0.25 0.2 0.15 CNT with deoxythymidine 0.1 0.05 Adhikari, S. and Chowdhury, R., "The calibration of carbon nanotube based 0 0 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 bio-nano sensors", Journal of Applied Physics, 107[12] (2010), pp. Relative frequency shift: f / f 124322:1-8 n0
  • 42. Vibration based mass sensor: Graphene Vibrating graphene sheets can be used as sensors with different mass arrangements
  • 43. Vibration based mass sensor: Graphene Relative added mass:
  • 44. Vibration based mass sensor: Graphene Vibrating graphene sheets can be used as sensors with different mass arrangements 1 edge Fixed Molecular mechanics 0.9 Proposed approach Normalized added mass: µ = M / ( ab) 0.8 0.7 0.6 0.5 0.4 SLGS with adenosine 0.3 0.2 0.1 0 0 0.1 0.2 0.3 0.4 0.5 0.6 Relative frequency shift: f / f0
  • 45. Boron Nitride Nanotube and Nanosheets Title of presentation Click to edit subtitle style
  • 46. Axial vibration of BNNT (a) (a) Axial vibration and its associated frequency of (b) zigzag and (c) armchair BNNTs given by the MM simulations (discrete dots) and a column model with Young’s modulus 1TPa ! (solid lines). Chowdhury, R., Wang, C. W., Adhikari, S. and Scarpa, F., "Vibration and symmetry-breaking of boron nitride nanotubes", Nanotechnology, 21[36] (2010), pp. 365702:1-9.
  • 47. Torsional vibration of BNNT (a) (a) Torsional vibration and its associated frequency of (b) zigzag and (c) armchair BNNTs given by the MM simulations (discrete dots) and a column model with shear modulus 0.41TPa (solid lines). ! Chowdhury, R., Wang, C. W., Adhikari, S. and Scarpa, F., "Vibration and symmetry-breaking of boron nitride nanotubes", Nanotechnology, 21[36] (2010), pp. 365702:1-9.
  • 48. Optimised shape of BNNT (a) (d) Optimized configuration (b) of armchair BNNTs: (a) (3, 3), (b) (4,4) and (c) (6,6) with the aspect ratio 15, and (d) short (c) (6, 6) with the aspect ratio 2.
  • 49. Mechanical property of BN Sheets Example of armchair (4, 0) BN sheet. Boron atoms are in red, nitrogen atoms are in green. Boldrin, L., Scarpa, F., Chowdhury, R., Adhikari, S. and Ruzzene, M., "Effective mechanical properties of hexagonal boron nitride nanosheets", Nanotechnology, 22[50] (2011), pp. 505702:1-7.
  • 51. Atomistic FE of DNA From protein data bank file to ANSYS input file – a new code for automatic translation
  • 52. Atomistic FE of DNA Material properties of the beams are obtained depending on the nature of the bonds Mode 6 (MM:111.696; FE 112.71 GHz) Mode 3 (MM:33.679; FE 38.768 GHz)
  • 53. Conclusions Ø  Atomistic finite element method is developed for general nanosalce structures: §  Carbon nanotube §  Fullerenes §  Graphene §  Nanoscale bio sensors Ø  Programs have been written to convert pdb files to Finite Element geometry file and material properties Ø  Encouraging results compared to MM simulation were obtained Ø  Future: nonlinearity, large-scale problems such as proteins & nanocomposites, molecular dynamic simulations, experimental validation
  • 54. References 1.  Murmu, T. and Adhikari, S., "Nonlocal frequency analysis of nanoscale biosensors", Sensors & Actuators: A. Physical, 173[1] (2012), pp. 41-48. 2.  Boldrin, L., Scarpa, F., Chowdhury, R., Adhikari, S. and Ruzzene, M., "Effective mechanical properties of hexagonal boron nitride nanosheets", Nanotechnology, 22[50] (2011), pp. 505702:1-7. 3.  Murmu, T., Seinz, J., Adhikari, S. and Arnold, C., "Nonlocal buckling behaviour of bonded double-nanoplate- system", Journal of Applied Physics, 110[8] (2011), pp. 084316:1-8. 4.  Flores, E. I. S., Adhikari, S., Friswell, M. I. and Scarpa, F., "Hyperelastic axial buckling of single wall carbon nanotubes", Physica E: Low-dimensional Systems and Nanostructures, 44[2] (2011), pp. 525-529. 5.  Murmu, T. and Adhikari, S., "Nonlocal vibration of bonded double-nanoplate-systems", Composites Part B: Engineering, 42[7] (2011), pp. 1901-1911. 6.  Chandra, Y., Chowdhury, R., Adhikari, S. and Scarpa, F., "Elastic instability of bilayer graphene using atomistic finite element", Physica E: Low-dimensional Systems and Nanostructures, 44[1] (2011), pp. 12-16.   7.  Scarpa, F., Chowdhury, R., Kam, K., Adhikari, S. and Ruzzene, M., "Wave propagation in graphene nanoribbons", Nanoscale Research Letters, 6 (2011), pp. 430:1-10.   8.  Chowdhury, R. and Adhikari, S., "Boron nitride nanotubes as zeptogram-scale bio-nano sensors: Theoretical investigations", IEEE Transactions on Nanotechnology, 10[4] (2011), pp. 659-667.   9.  Chandra, Y., Chowdhury, R., Scarpa, F. and Adhikari, S., "Vibrational characteristics of bilayer graphene sheets", Thin Solid Films, 519[18] (2011), pp. 6026-6032.   10.  Adhikari, S. and Chowdhury, R., "Vibration spectra of fullerene family", Physics Letters A, 375[22] (2011), pp. 1276-1280.  
  • 55. References 11.  Murmu, T., Adhikari, S. and Wang, C. W., "Torsional vibration of carbon nanotube-buckyball systems based on nonlocal elasticity theory", Physica E: Low-dimensional Systems and Nanostructures, 43[6] (2011), pp. 1276-1280.   12.  Wang, C. W. and Adhikari, S., "ZnO-CNT composite nanowires as nanoresonators", Physics Letters A, 375[22] (2011), pp. 2171-2175.   13.  Chowdhury, R., Adhikari, S., Scarpa, F. and Friswell, M. I., "Transverse vibration of single layer graphene sheets", Journal of Physics D: Applied Physics, 44[20] (2011), pp. 205401:1-11.   14.  Scarpa, F., Chowdhury, R., and Adhikari, S., "Thickness and in-plane elasticity of Graphane", Physics Letters A, 375[20] (2011), pp. 2071-2074.   15.  Wang, C. W., Murmu, T. and Adhikari, S., "Mechanisms of nonlocal effect on the vibration of nanoplates", Applied Physics Letters, 98[15] (2011), pp. 153101:1-3.   16.  Murmu, T. and Adhikari, S., "Nonlocal vibration of carbon nanotubes with attached buckyballs at tip", Mechanics Research Communications, 38[1] (2011), pp. 62-67.   17.  Chowdhury, R., Adhikari, S. and Scarpa, F., "Vibrational analysis of ZnO nanotubes: A molecular mechanics approach", Applied Physics A, 102[2] (2011), pp. 301-308.   18.  Chowdhury, R., Adhikari, S., Rees, P., Scarpa, F., and Wilks, S.P., "Graphene based bio-sensor using transport properties", Physical Review B, 83[4] (2011), pp. 045401:1-8.   19.  Murmu, T. and Adhikari, S., "Axial instability of double-nanobeam-systems", Physics Letters A, 375[3] (2011), pp. 601-608.   20.  Flores, E. I. S., Adhikari, S., Friswell, M. I. and F. Scarpa, "Hyperelastic finite element model for single wall carbon nanotubes in tension", Computational Materials Science, 50[3] (2011), pp. 1083-1087.  
  • 56. References 21.  Murmu, T. and Adhikari, S., "Scale-dependent vibration analysis of prestressed carbon nanotubes undergoing rotation", Journal of Applied Physics, 108[12] (2010), pp. 123507:1-7.   22.  Scarpa, F., Adhikari, S. and Phani, A. Srikanth, "Auxeticity in single layer graphene sheets", International Journal of Novel Materials, 1[2] (2010), pp. 39-43.   23.  Murmu, T. and Adhikari, S., "Nonlocal effects in the longitudinal vibration of double-nanorod systems", Physica E: Low-dimensional Systems and Nanostructures, 43[1] (2010), pp. 415-422.   24.  Murmu, T. and Adhikari, S., "Nonlocal transverse vibration of double-nanobeam-systems", Journal Applied Physics, 108[8] (2010), pp. 083514:1-9.   25.  Scarpa, F., Peng, H. X., Boldri, L., Remillat, C. D. L., Adhikari, S., "Coupled thermo-mechanics of single-wall carbon nanotubes", Applied Physics Letters, 97[15] (2010), pp. 151903:1-3.   26.  Chowdhury, R., Adhikari, S., Rees, P., "Optical properties of silicon doped ZnO", Physica B: Condensed Matter, 405[23] (2010), pp. 4763-4767.   27.  Chowdhury, R., Wang, C. W., Adhikari, S. and Scarpa, F., "Vibration and symmetry-breaking of boron nitride nanotubes", Nanotechnology, 21[36] (2010), pp. 365702:1-9.   28.  Wang, C. Y., Zhao, Y., Adhikari, S. and Feng, Y. T., "Vibration of axially strained triple-wall carbon nanotubes", Journal of Computational and Theoretical Nanoscience, 7[11] (2010), pp. 2176-2185.   29.  Adhikari, S. and Chowdhury, R., "The calibration of carbon nanotube based bio-nano sensors", Journal of Applied Physics, 107[12] (2010), pp. 124322:1-8.   30.  Chowdhury, R., Wang, C. Y., Adhikari, S., and Tong, F. M., "Sliding oscillations of multiwall carbon nanotubes", Physica E: Low-dimensional Systems and Nanostructures, 42[9] (2010), pp. 2295-2300.  
  • 57. References 31.  Chowdhury, R., Adhikari, S., Wang, C. W. and Scarpa, F., "A molecular mechanics approach for the vibration of single walled carbon nanotubes", Computational Materials Science, 48[4] (2010), pp. 730-735.   32.  Wang, C. Y., Li, C. F., and Adhikari, S., "Axisymmetric vibration of singlewall carbon nanotubes in water", Physics Letters A, 374[24] (2010), pp. 2467-2474.   33.  Chowdhury, R., Adhikari, S. and Scarpa, F., "Elasticity and piezoelectricity of zinc oxide nanostructure", Physica E: Low-dimensional Systems and Nanostructures, 42[8] (2010), pp. 2036-2040.   34.  Gil, A. J., Adhikari, S., Scarpa, F., and Bonet, J., "The formation of wrinkles in single layer graphene sheets under nanoindentation", Journal of Physics: Condensed Matter, 22[14] (2010), pp. 145302:1-6.   35.  Scarpa, F., Adhikari, S. and Chowdhury, R., "The transverse elasticity of bilayer graphene", Physics Letters A, 374[19-20] (2010), pp. 2053-2057.   36.  Scarpa, F., Adhikari, S., Gil, A. J. and Remillat, C., "The bending of single layer graphene sheets: Lattice versus continuum approach", Nanotechnology, 21[12] (2010), pp. 125702:1-9.   37.  Chowdhury, R., Rees, P., Adhikari, S., Scarpa, F., and Wilks, S.P., "Electronic structures of silicon doped ZnO", Physica B: Condensed Matter, 405[8] (2010), pp. 1980-1985.   38.  Scarpa, F., Adhikari, S. and Wang, C. Y., "Nanocomposites with auxetic nanotubes", International Journal of Smart and Nanomaterials, 1[2] (2010), pp. 83-94.   39.  Chowdhury, R., Wang, C. Y. and Adhikari, S., "Low-frequency vibration of multiwall carbon nanotubes with heterogeneous boundaries", Journal of Physics D: Applied Physics, 43[11] (2010), pp. 085405:1-8.   40.  Chowdhury, R., Adhikari, S. and Mitchell, J., "Vibrating carbon nanotube based bio-sensors", Physica E: Low- dimensional Systems and Nanostructures, 42[2] (2009), pp. 104-109.  
  • 58. References 41.  Scarpa, F., Adhikari, S. and Wang, C. Y., "Mechanical properties of non reconstructed defective single wall carbon nanotubes", Journal of Physics D: Applied Physics, 42 (2009) 142002 (6pp).   42.  Wang, C. Y., Li, C. F., and Adhikari, S., "Dynamic behaviors of microtubules in cytosol", Journal of Biomechanics, 42[9] (2009), pp. 1270-1274.   43.  Tong, F. M., Wang, C. Y., and Adhikari, S., "Axial buckling of multiwall carbon nanotubes with heterogeneous boundary conditions", Journal of Applied Physics, 105 (2009), pp. 094325:1-7.   44.  Scarpa, F., Adhikari, S. and Phani, A. Srikanth, "Effective mechanical properties of single graphene sheets", Nanotechnology, 20[1-2] (2009), pp. 065709:1-11.   45.  Scarpa, F. and Adhikari, S., "Uncertainty modelling of carbon nanotube terahertz oscillators", Journal of Non- Crystalline Solids, 354[35-39] (2008), pp. 4151-4156.   46.  Scarpa, F. and Adhikari, S., "A mechanical equivalence for the Poisson's ratio and thickness of C-C bonds in single wall carbon nanotubes", Journal of Physics D: Applied Physics, 41 (2008) 085306 (5pp).