Chirality- and size-dependent elastic properties of single-walled carbon nanotubes

2005 ◽  
Vol 87 (25) ◽  
pp. 251929 ◽  
Author(s):  
Tienchong Chang ◽  
Jingyan Geng ◽  
Xingming Guo
Keyword(s):  
Carbon Nanotubes ◽  
Elastic Properties ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Size Dependent ◽  
Walled Carbon Nanotubes

Single-walled carbon nanotubes functionalized by a series of dichlorocarbenes: DFT study

2016 ◽  
Vol 30 (08) ◽  
pp. 1650118 ◽  
Author(s):  
Igor K. Petrushenko ◽  
Konstantin B. Petrushenko
Keyword(s):  
Carbon Nanotubes ◽  
Young’S Modulus ◽  
Elastic Properties ◽  
Density Functional ◽  
Young's Modulus ◽  
Strong Dependence ◽  
Single Walled Carbon Nanotubes ◽  
Binding Energies ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

The structural and elastic properties of neutral and ionized dichlorocarbene (CCl2) functionalized single-walled carbon nanotubes (SWCNTs) were studied using density functional theory (DFT). The Young’s modulus of ionized pristine SWCNTs is found to decrease in comparison to that of neutral models. The interesting effect of increase in Young’s modulus values of ionized functionalized SWCNTs is observed. We ascribe this feature to the concurrent processes of the bond elongation on ionization and the local deformation on cycloaddition. The strong dependence of the elasticity modulus on the number of addends is also observed. However, the CCl2-attached SWCNTs in their neutral and ionized forms remain strong enough to be suitable for the reinforcement of composites. In contrast to the elastic properties, the binding energies do not change significantly, irrespective of CCl2 coverage.

Single-walled carbon nanotubes as high pressure nanocontainer

2014 ◽  
Vol 28 (14) ◽  
pp. 1450074 ◽  
Author(s):  
Na Chen ◽  
Qing Xu ◽  
Xiang Ye
Keyword(s):  
Carbon Nanotubes ◽  
High Pressure ◽  
Internal Pressure ◽  
Single Walled Carbon Nanotubes ◽  
Elastic Model ◽  
Single Walled Carbon ◽  
Size Dependent ◽  
Bond Stretching ◽  
Walled Carbon Nanotubes ◽  
High Internal Pressure

The single-walled carbon nanotubes (SWCNTs) under high internal pressure are studied by the constant-pressure molecular dynamics method. The results show that SWCNTs are suitable candidates for high pressure nanocontainer, and they can resist 30 GPa to 110 GPa internal pressure. We find that the ultimate internal pressure that nanotubes can sustain is mainly determined by the radius of the tube, and it is not sensitive to the tube chirality. The breaking of the nanotube induced by high internal pressure is mainly due to bond stretching rather than bond angle changing. An elastic model is used to explain the size-dependent ultimate internal pressure behavior for SWCNTs.

Prediction of elastic properties for single-walled carbon nanotubes

Carbon ◽  
2004 ◽  
Vol 42 (1) ◽  
pp. 39-45 ◽  
Author(s):  
Toshiaki Natsuki ◽  
Kriengkamol Tantrakarn ◽  
Morinobu Endo
Keyword(s):  
Carbon Nanotubes ◽  
Elastic Properties ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

Elastic Properties of Single-Walled Carbon Nanotubes in Axial and Transverse Directions: A First Principles Study

2005 ◽  
Author(s):  
X. Song ◽  
Q. Ge ◽  
S.-C. Yen
Keyword(s):  
Carbon Nanotubes ◽  
Elastic Properties ◽  
First Principles ◽  
Pure Shear ◽  
Small Deformation ◽  
Single Walled Carbon Nanotubes ◽  
Elastic Behavior ◽  
Plane Shear ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes

A first principles approach has been employed to study the elastic properties of ten zigzag and seven armchair types of single-walled carbon nanotubes (SWNTs) with the diameter varied from 0.551 to 1.358 nm. The linear elastic behavior of the SWNTs when subject to small deformation is studied by four virtual mechanical experiments: uniaxial strain, uniaxial stress, in-plane pure shear, and in-plane bi-axial tension tests. Assuming that a SWNT be transversely isotropic, a strain energy approach is used to calculate the Young’s moduli in axial and transverse directions, major Posson’s ratio, plain strain bulk, and in-plane shear moduli of the carbon nanotubes. It is found that the elastic constants are insensitive to the tube size, but show a slight dependence upon the helicity. However, the differences in the elastic moduli between zigzag and armchair nanotubes are within 10%.

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