Modelling and analyis of multı-walled carbon nanotube reinforced polymer composites

Fatima, Bushra
In this study, multi-walled carbon nanotubes (MWNTs) and multi walled carbon nanotube reinforced epoxy composites (CNTRPs) are investigated by means of computational modelling. To begin with, individual tubes of MWNTs are modelled with varying chiralities through equivalent continuum modelling in order to examine their essential mechanical properties including Young’s modulus, shear modulus, and Poisson’s ratio. The finite element models developed incorporate beam elements that represent Carbon-Carbon bonds within each nanotube and spring elements that represent van der Waals interaction between concentric tubes. Unlike the models reported in literature, this study considers the variation of intershell spacing with varying inner diameters. Similarly, the literature has so far neither reported any results for the chiral configuration of MWNTs nor have reported any comparison between polychiral and monochiral configurations. This study determines the properties of MWNTs by considering both the polychiral and monochiral configurations. Novel relationships of tensile resistance and torsional stiffness are also obtained in terms of outer tube diameter of an MWNT. In the second part of the thesis, CNTRPs are modelled that embed 5 percent by volume of MWNTs, already modelled in the first part, as reinforcement elements in the epoxy resin. Continuum modelling and discrete modelling approaches are employed to model CNTRPs. In the former model, the interphase region is assumed to have perfect bonding with the polymer matrix and the MWNT, whereas in the latter the interphase is modelled using weak Van der Waals interactions that are characterized by Lennard-Jones “6-12” potential. The simulated Young’s moduli show good agreement with the published computational results and analytical continuum rule of mixtures. In addition, influence of chirality and size of MWNTs on the Young’s modulus and Poisson’s ratio of CNTRPs are also studied. In general, CNTRPs reinforced with polychiral MWNTs are stiffer than the ones reinforced with monochiral MWNTs which are more resistant to lateral deformation.


Evaluating the effects of size and chirality on the mechanical properties of single-walled carbon nanotubes through equivalent-continuum modelling
Zuberi, M. Jibran S.; Esat, Volkan (2016-10-01)
Due to numerous difficulties associated with the experimental investigation of the single-walled carbon nanotubes (SWNTs), computational modelling is considered to be a powerful alternative in order to determine their mechanical properties. In this study, a novel three-dimensional finite element model incorporating a beam element with circular cross section is developed based on equivalent-continuum mechanics approach. The beam elements are used as the replacement of C-C chemical bonds in modelling SWNTs. F...
Meso-scale finite element modelling of carbon nanotube reinforced polymer composites
Haydar, Altay; Esat, Volkan; Mechanical Engineering (2021-12)
Carbon nanotube (CNT) reinforced polymer composites (CNTRPs) are promising materials which can be utilized in a variety of industries. Several experimental research studies have been conducted to determine the mechanical properties of CNTRPs, however results have not been conclusive. In this study, meso-scale representative volume elements (RVEs) of straight and coiled CNT (CCNT) reinforced epoxy composites were analysed by using commercial finite element analysis software MSC Marc-Mentat. CNTs were randoml...
Structural Vibration Analysis of Single Walled Carbon Nanotubes with Atom Vacancies
Dogan, Ibrahim Onur; Yazıcıoğlu, Yiğit (2014-11-01)
Recent investigations in nanotechnology show that carbon nanotubes have significant mechanical, electrical and optical properties. Interactions between those are also promising in both research and industrial fields. Those unique characteristics are mainly due to the atomistic structure of carbon nanotubes. In this paper, the structural effects of vacant atoms on single walled carbon nanotubes are investigated using matrix stiffness method. In order to use this technique, a linkage between structural mechan...
Investigating the mechanical properties of single walled carbon nanotube reinforced epoxy composite through finite element modelling
Zuberi, Muhammad Jibran Shahzad; Esat, Volkan (2015-03-15)
Varying experimental results on the mechanical properties of carbon nanotube reinforced polymer composites (CNTRPs) have been reported due to the complexities associated with the characterization of material properties in nano-scale. Insight into the issues associated with CNTRPs may be brought through computational techniques time- and cost-effectively. In this study, finite element models are generated in which single walled carbon nanotube models are embedded into the epoxy resin. For modelling interface...
From carbon nanotubes to carbon nanorods
Erkoç, Şakir (2000-09-01)
The structural properties of single and multi-wall carbon nanotubes and the formation of carbon nanorods from multi-wall carbon nanotubes have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that carbon nanorod formation takes place with smallest possible multi-wall nanotubes under heat treatment. On the other hand, it has been also found that single-wall carbon na...
Citation Formats
B. Fatima, “Modelling and analyis of multı-walled carbon nanotube reinforced polymer composites,” M.S. - Master of Science, Middle East Technical University, 2016.