[New Carbon Materials 2016, 31(6): 646–650]. Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method

Carbon ◽  
2017 ◽  
Vol 114 ◽  
pp. 757
Author(s):  
Xu Zhang ◽  
Le-hua Qi ◽  
Yang Shu ◽  
Qian-gang Fu ◽  
He-jun Li
2019 ◽  
Vol 69 (2) ◽  
pp. 7-14
Author(s):  
Bocko Jozef ◽  
Lengvarský Pavol ◽  
Pástor Miroslav

AbstractThe paper deals with estimation of material properties of single-walled carbon nanotubes (SWCNTs). The SWCNTs are simulated as frames, where carbon atoms are replaced by nodes and interatomic interactions are replaced by beams. The tension and torsion loading is applied on SWCNTs for determining the elastic modulus, Poisson’s ratio, shear modulus and membrane stiffness of SWCNTs. The simulations for obtaining elongations and torsion angles of SWCNTs are accomplished by the finite element method.


2012 ◽  
Vol 21 ◽  
pp. 159-164 ◽  
Author(s):  
Ali Ghavamian ◽  
Andreas Öchsner

Two configurations of perfect single walled carbon nanotubes (armchair and zigzag) were simulated based on the finite element method. Then, three most likely defects (Si-doping, carbon vacancy and perturbation) were introduced to the models to represent defective forms of single walled carbon nanotubes (SWCNTs). Finally, the vibrational properties of perfect and defective carbon nanotubes were evaluated and compared. The results showed that SWCNTs have a natural frequency with a rather high value between 18.69 and 24.01 GHz. In the consideration of the natural frequency of the defective SWCNTs, it was also observed that the existence of any type of defects or irregularities leads to a lower value of natural frequency and vibrational stability. Simple mathematical relations which express the change in natural frequency versus the percentage of the defect were also presented. This can be very useful to realistically estimate the influence of defects of different amounts on the vibrational behavior of carbon nanotubes.


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