Volltext-Downloads (blau) und Frontdoor-Views (grau)

Numerical Investigation on the Influence of Doping on Tensile Properties of Carbon Nanotubes

  • In this chapter, to investigate the tensile behavior of CNTs, finite element models of single-walled carbon nanotubes (SWCNTs) in perfect and doped modes for common types of carbon nanotube (CNT) configuration, i.e., the armchair, zigzag, and chiral models, were generated using a commercial finite element software (MSC Marc). To create the computational models, nodes were placed at the locations of carbon atoms and the bonds between them were modeled using three-dimensional elastic generalized beam elements. Doped models were simulated by three different heteroatoms including silicon, nitrogen, and boron separately with the doping concentration ranging from 0 to 5%. Young’s moduli of all models were obtained and compared with the perfect structures. The results indicated that Young’s modulus of chiral SWCNTs is larger than the moduli of the armchair and zigzag SWCNTs in all models and incorporating the silicon and boron atoms into CNT led to a linear reduction in Young’s modulus which was most significant for silicon and less noticeable for boron. Regarding nitrogen doping, a different trend was observed that was a negligible and less conspicuous increment in the value of Young’s modulus by increasing the percentage of doping. Besides, this behavior was the same for all armchair, zigzag, and chiral configurations with the same dopant atom. The investigations also revealed that the structural irregularity and ripples, which are induced by dopant atoms, are a key factor which influences the tensile behavior of CNTs. Our results for Young’s modulus of doped CNTs are in good agreement with recent investigations.

Export metadata

Additional Services

Share in Twitter Search Google Scholar


Author:V. Ahani, A. Öchsner
Parent Title (English):Engineering Design Applications III: Structures, Materials and Processes
Place of publication:Cham
Document Type:Part of a Book
Year of Completion:2020
Release Date:2021/01/14
First Page:255
Last Page:279
Open Access?:nur im Hochschulnetz
Relevance:Wissenschaftliches Buch, Monographie, Herausgeberschaft
Licence (German):License LogoVeröffentlichungsvertrag ohne Print-on-Demand