Molecular mechanics calculations for in-plane stiffness, shear modulus, and the bending rigidity of single-walled carbon nanotubes are reported in this work through the calculations of the strain energy for carbon nanotubes and graphite sheets subjected to various types of loading. Elastic rod and plate theories are employed to link the material properties of carbon nanotubes directly to the molecular mechanics calculations. The in-plane stiffness of carbon nanotubes is about 372376Jm2. The bending rigidity is found to be around 1.78eV for relatively large tubes and graphite sheets.

1.
S.
Iijima
,
Nature (London)
354
,
56
(
1991
).
2.
J. P.
Salvetat
,
G. A.
Briggs
,
J. M.
Bonard
,
R. R.
Basca
,
A. J.
Kulik
,
T.
Stockli
,
N. A.
Burnham
, and
L.
Forro
,
Phys. Rev. Lett.
82
,
944
(
1999
).
3.
P.
Poncharal
,
Z. L.
Wang
,
D.
Ugarte
, and
W. A.
de Heerm
,
Science
283
,
1513
(
1999
).
4.
A.
Krishnan
,
E.
Dujardin
,
T.
Ebbesen
,
P. N.
Yianilos
, and
M. M. J.
Treacy
,
Phys. Rev. B
58
,
014043
(
1998
).
5.
E. W.
Wong
,
P. E.
Sheehan
, and
C. M.
Lieber
,
Science
277
,
1971
(
1977
).
6.
G. B.
Adams
,
O. F.
Sankey
,
J. B.
Page
,
M.
O'Keeffe
, and
D. A.
Drabold
,
Science
256
,
1792
(
1992
).
7.
A. A.
Lucas
,
P. H.
Lambin
, and
R. E.
Smalley
,
J. Phys. Chem. Solids
54
,
587
(
1993
).
8.
G. M.
Odegard
,
T. S.
Gates
,
L. M.
Nicholson
, and
K. E.
Wise
, NASA Report No. TM-2002-211454,
2002
.
9.
Q.
Wang
,
Int. J. Solids Struct.
41
,
5451
(
2004
).
10.
K. N.
Kudin
,
G. E.
Scuseria
, and
B. I.
Yakobson
,
Phys. Rev. B
64
,
235406
(
2001
).
11.
J. M.
Gere
,
Mechanics of Materials
(
Brooks-Cole
,
Belmont, MA
,
2001
).
12.
D.
Rigby
,
H.
Sun
, and
B. E.
Eichinger
,
Polym. Int.
44
,
311
(
1997
).
13.
Q.
Wang
,
W. H.
Duan
,
K. M.
Liew
, and
X. Q.
Xiao
,
Appl. Phys. Lett.
90
,
033110
(
2007
).
14.
B. I.
Yakobson
,
C. J.
Brabec
, and
J.
Bernholc
,
Phys. Rev. Lett.
76
,
2511
(
1996
).
15.
K. M.
Liew
,
C. H.
Wong
,
X. Q.
He
,
M. J.
Tan
, and
S. A.
Meguid
,
Phys. Rev. B
69
,
115429
(
2004
).
16.
J.
Geng
and
T.
Chang
,
Phys. Rev. B
74
,
245428
(
2006
).
17.
D.
Robertson
,
D.
Brenner
, and
J.
Mintmire
,
Phys. Rev. B
45
,
12592
(
1992
).
18.
S.
Gupta
,
K.
Dharamvir
, and
V. K.
Jindal
,
Phys. Rev. B
72
,
165428
(
2005
).
19.
D.
Sanchez-Portal
,
E.
Artacho
,
J. M.
Soler
,
A.
Rubio
, and
P.
Ordejon
,
Phys. Rev. B
59
,
12678
(
1999
).
20.
M. R.
Falvo
,
G. J.
Clary
,
R. M.
Taylor
, II
,
V.
Chi
,
F. P.
Brooks
, Jr.
,
S.
Washburn
, and
R.
Superfine
,
Nature (London)
389
,
582
(
1997
).
21.
S. P.
Timoshenko
and
S.
Woinowsky
,
Theory of Plates and Shells
(
McGraw-Hill
,
Kogakusha
,
1959
).
22.
J. J.
Liang
and
W. H.
Duan
(private communication).
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