Theoretical elastic properties of single-walled carbon nanotubes

2005 ◽  
Vol 105 (6) ◽  
pp. 767-771 ◽  
Author(s):  
J. T. Alford ◽  
B. A. Landis ◽  
J. W. Mintmire
Keyword(s):  
Carbon Nanotubes ◽  
Elastic Properties ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
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.

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%.

Study of the Mechanical Properties of Single-Walled Carbon Nanotubes

2008 ◽  
Author(s):  
Paola Jaramillo ◽  
Haym Benaroya
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Finite Element ◽  
Elastic Properties ◽  
Single Walled Carbon Nanotubes ◽  
Computational Time ◽  
Single Walled Carbon ◽  
Different Types ◽  
Properties Of Materials ◽  
Walled Carbon Nanotubes

Carbon nanotubes are composed of C-C covalent bonds, which are the strongest bonds found in nature. Hence, carbon nanotubes are identified as the “ultimate fiber” due to their great strength in the direction of the nanotube axis and their ability to enhance the elastic properties of materials. The first indications of synthesizing carbon nanotubes date back to 1952. Russian scientists Radushkevich and Lukyanovich [1] were able to produce nanosized hollow carbon filaments. Nevertheless, it was until 1991 that multi-walled carbon nanotubes (MWCNTs) were discovered by Sumio lijima [2, 3] at NEC Corporation Lab, which was followed by his study and synthesis of single-walled carbon nanotubes (SWCNTs) in 1993. Since their discovery, there has been a constant pursuit to understand the properties and identify the optimal applications of these structures. The paper focuses on the importance of carbon nanotubes and their ability to enhance the mechanical properties of other materials due to their unique elastic properties. Additionally, carbon nanotubes can improve the capabilities and properties of other materials, like polymer composite. Currently, there is an ongoing process to accurately understand the fundamental characteristics of these structures, in particular, to develop the governing laws necessary to control, predict, and manipulate these properties. This will eventually have an impact on the bulk properties of materials where carbon nanotubes may be incorporated. The current research focuses on the ability to create simplified models that can accurately predict the response of carbon nanotube structures undergoing different types of loading conditions. In this way, the mechanical characteristics regarding single-walled carbon nanotubes (SWCNTs) through finite element modeling are computed. A simplified finite element model is created in ANSYS for different types of SWCNTs with varying input parameters. An input array for the elastic modulus and load is generated to control the physical effects of these parameters in the nanotube structure. The geometries of the nanotubes are altered through various thicknesses employed for the construction of the C–C bonds. The current work contributes to the generation of different model responses to monitor the stress distribution employing a wide range of parameter values. The ability to introduce variability in the parameters and boundary conditions without altering the capabilities and computational time in the model represents the main contribution of this work.

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