Vibrational behavior of defective and repaired carbon nanotubes under thermal loading: A stochastic molecular mechanics study

2021 ◽  
Vol 163 ◽  
pp. 104058
Author(s):  
J. Payandehpeyman ◽  
K. Moradi ◽  
A. Shayesteh Zeraati ◽  
H. Goodarzi Hosseinabadi
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Mechanics ◽  
Thermal Loading ◽  
Vibrational Behavior

STRUCTURAL AND ELECTRONIC PROPERTIES OF CARBON NANOTUBES

2000 ◽  
Vol 11 (01) ◽  
pp. 175-182 ◽  
Author(s):  
ŞAKIR ERKOÇ
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Properties ◽  
Molecular Mechanics ◽  
Density Of States ◽  
Linear Dependence ◽  
The Other ◽  
Tube Length ◽  
Single Wall Carbon Nanotubes ◽  
Tube Size ◽  
Structural And Electronic Properties

The structural and electronic properties of optimized open-ended single-wall carbon nanotubes with zigzag geometry have been investigated. The calculations were performed using molecular mechanics, extended Hückel, and AM1–RHF semiempirical molecular orbital methods. It has been found that the density of states of the zigzag model is sensitive to the tube size and changes as the tube length increases. On the other hand the energetics of the tube shows an almost linear dependence to the tube length, and a converging characteristics with respect to the number of hexagons forming the tube.

Thermal Buckling of Multi-Walled Carbon Nanotubes by Nonlocal Elasticity

2006 ◽  
Vol 74 (3) ◽  
pp. 399-405 ◽  
Author(s):  
Renfu Li ◽  
George A. Kardomateas
Keyword(s):  
Carbon Nanotubes ◽  
Thermal Loading ◽  
Scale Effects ◽  
Elastic Shell ◽  
Thermal Buckling ◽  
Small Scale ◽  
Internal Length ◽  
Internal Characteristic ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

The small internal length scales of nanomaterials/nano-devices may call the direct application of classical continuum models into question. In this research, a nonlocal elastic shell model, which takes the small scale effects into account, is developed to study the thermal buckling behavior of multi-walled carbon nanotubes. The multi-walled carbon nanotubes are considered as concentric thin shells coupled with the van der Waals forces between adjacent nanotubes. Closed form solutions are formulated for two types of thermal buckling of a double-walled carbon nanotube: Radial thermal buckling (as in a shell under external pressure) and axial thermal buckling. The effects of small scale effects are demonstrated, and a significant influence of internal characteristic parameters such as the length of the C‐C bond has been found on the thermal buckling critical temperature. The study interestingly shows that the axial buckling is not likely to happen, while the “radial” buckling may often take place when the carbon nano-tubes are subjected to thermal loading. Furthermore, a convenient method to determine the material constant, “e0” and the internal characteristic parameter, “a,” is suggested.

Axial buckling behavior of wavy carbon nanotubes: A molecular mechanics study

2013 ◽  
Vol 54 ◽  
pp. 308-312 ◽  
Author(s):  
Yusuke Kinoshita ◽  
Masaki Kawachi ◽  
Tomoya Matsuura ◽  
Nobutada Ohno
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Mechanics ◽  
Axial Buckling ◽  
Buckling Behavior

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

scholarly journals Effects of Wavenumber and Chirality on the Axial Compressive Behavior of Wavy Carbon Nanotubes: A Molecular Mechanics Study

2014 ◽  
Vol 2014 ◽  
pp. 1-7
Author(s):  
Masaki Kawachi ◽  
Yusuke Kinoshita ◽  
Nobutada Ohno
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Mechanics ◽  
Bond Order ◽  
Compressive Behavior ◽  
Buckling Mode ◽  
Long Wavelength ◽  
Bond Order Potential ◽  
Multiple Stone

The effects of wavenumber and chirality on the axial compressive behavior and properties of wavy carbon nanotubes (CNTs) with multiple Stone-Wales defects are investigated using molecular mechanics simulations with the adaptive intermolecular reactive empirical bond-order potential. The wavy CNTs are assumed to be point-symmetric with respect to their axial centers. It is found that the wavy CNT models, respectively, exhibit a buckling point and long wavelength buckling mode regardless of the wavenumbers and chiralities examined. It is also found that the wavy CNTs have nearly the same buckling stresses as their pristine straight counterparts.

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