A hybrid continuum and molecular mechanics model for the axial buckling of chiral single-walled carbon nanotubes

2014 ◽  
Vol 14 (10) ◽  
pp. 1360-1368 ◽  
Author(s):  
R. Ansari ◽  
H. Rouhi ◽  
M. Mirnezhad
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Mechanics ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Axial Buckling ◽  
Mechanics Model ◽  
Molecular Mechanics Model ◽  
Walled Carbon Nanotubes

scholarly journals Molecular mechanics applied to single-walled carbon nanotubes

2008 ◽  
Vol 11 (3) ◽  
pp. 325-333 ◽  
Author(s):  
Antonio Ferreira Ávila ◽  
Guilherme Silveira Rachid Lacerda
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Mechanics ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

BUCKLING BEHAVIOR OF SHORT MULTI-WALLED CARBON NANOTUBES UNDER AXIAL COMPRESSION LOADS

2012 ◽  
Vol 12 (06) ◽  
pp. 1250045 ◽  
Author(s):  
A. H. KORAYEM ◽  
W. H. DUAN ◽  
X. L. ZHAO ◽  
C. M. WANG
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Mechanics ◽  
Axial Compression ◽  
Single Walled Carbon Nanotubes ◽  
Buckling Mode ◽  
Chiral Angle ◽  
Single Walled Carbon ◽  
Buckling Behavior ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

We investigate the buckling behaviors of short multi-walled carbon nanotubes (MWCNTs) under axial compression by using molecular mechanics (MM) simulations. The effects of the number of walls, length and chiral angle of MWCNTs on the buckling behaviors are examined. The results show that the buckling behaviors of short MWCNTs are rather different from single walled carbon nanotubes (SWCNTs) and slender MWCNTs. Moreover, it is observed that the buckling strains of short MWCNTs vary inversely proportional to the number of nanotube walls. For slender MWCNTs, the buckling strains fluctuate as the number of walls increase. It increases for beam-like buckling mode, decreases for shell-like buckling mode and is approximately constant for the shell-beam-like buckling mode. The increase in the length of MWCNT has also led to a significant decrease of the buckling strain for short MWCNTs. However, chirality does not have a significant effect on the buckling strain of MWCNTs nor alter the buckling mode of short MWCNTs.

Prediction of chirality- and size-dependent elastic properties of single-walled carbon nanotubes via a molecular mechanics model

2006 ◽  
Vol 462 (2072) ◽  
pp. 2523-2540 ◽  
Author(s):  
Tienchong Chang ◽  
Jingyan Geng ◽  
Xingming Guo
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Molecular Mechanics ◽  
Elastic Properties ◽  
Continuum Mechanics ◽  
Governing Equations ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Mechanics Model ◽  
Molecular Mechanics Model

Molecular mechanics has been widely used to analytically study mechanical behaviour of carbon nanotubes. However, explicit expressions for elastic properties of carbon nanotubes are so far confined to some special cases due to the lack of fully constructed governing equations for the molecular mechanics model. In this paper, governing equations for an analytical molecular mechanics model are fully established. The explicit expressions for five in-plane elastic properties of a chiral single-walled carbon nanotube are derived, which make properties at different length-scales directly connected. The effects of tube chirality and tube diameter are investigated. In particular, the present results show that the classic relationship from the isotropic elastic theory of continuum mechanics between Young's modulus and shear modulus of a single-walled carbon nanotube is not retained. The present analytical results are helpful to the understanding of elastic properties of carbon nanotubes, and also useful to the topic of linking molecular mechanics with continuum mechanics.

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