Mechanical Properties of Functionalized Carbon Nanotube as Reinforcements

2012 ◽  
Vol 583 ◽  
pp. 22-26 ◽  
Author(s):  
Cui Cui Ling ◽  
Qing Zhong Xue ◽  
Xiao Yan Zhou
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Binding Energy ◽  
Functional Groups ◽  
Functional Group ◽  
Young Modulus ◽  
Electrostatic Energy ◽  
Walled Cnts

The effects of functional groups and degree of functionalization on the young modulus of carbon nanotubes (CNTs) are investigated through molecular dynamics and molecular mechanics simulations. It is found that young’s modulus depends greatly on the functional groups and degree of functionalization. The results show that the fluorine (-F) can replace the hydrogen, and young modulus of sing-walled CNTs (SWNT) modified by -F functional group can inherit the mechanical properties of intrinsic SWNT. The binding energy between functional groups and SWNT, and electrostatic energy among the functional groups are mainly responsible for these findings. These characteristics rival those of SWNT modified by hydrogen allow one to consider SWNT modified by -F functional group for a range of technologies, in particular require better inertness and stability than unachievable for the compound.

Effect of Reprocessing on the Rheological, Electrical and Mechanical Properties of Polypropylene/Carbon Nanotube Composites

2016 ◽  
Author(s):  
Felicia Stan ◽  
Laurentiu Ionut Sandu ◽  
Catalin Fetecau ◽  
Razvan Train Rosculet
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Injection Molding ◽  
Young Modulus ◽  
Mechanical Recycling ◽  
Nanotube Composites ◽  
Multi Walled Carbon Nanotubes ◽  
Carbon Nanotube Composites ◽  
Plastic Parts

In the near future, carbon nanotubes containing plastic parts are likely to enter the environment in large quantities and, due to their resistance to degradation, the environmental impact may be even more important than that of similarly shaped plastic products. Thus, there is an immediate need to examine and understand the effect of recycling on the properties of polymer/carbon nanotube composites in order to develop sustainable recycling technologies. In this paper, polypropylene filled with different levels of multi-walled carbon nanotubes (MWCNTs) manufactured by injection molding was closed-loop recycled in order to investigate the effect of recycling and reprocessing on its rheological, electrical and mechanical properties. Preliminary results show that the PP/MWCNT composites keep the flow performance after mechanical recycling. Moreover, the stress and strain at break increase after one reprocessing cycle (mechanical recycling coupled with injection molding) whereas no statistically significant changes in electrical conductivity, Young modulus and tensile strength of the PP/MWCNT composites filled with 1, 3 and 5 wt.% were observed.

Mechanical Properties Of Polyaniline / Multi-walled Carbon Nanotube Composite Films

2003 ◽  
Vol 791 ◽  
Author(s):  
P. C. Ramamurthy ◽  
W. R. Harrell ◽  
R. V. Gregory ◽  
B. Sadanadan ◽  
A. M. Rao
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Composite Films ◽  
Weight Percent ◽  
Organic Electronic Devices ◽  
Multiwalled Carbon ◽  
Multi Walled Carbon Nanotube ◽  
Contact Devices ◽  
Carbon Nanotube Composite

ABSTRACTHigh molecular weight polyaniline / multi-walled carbon nanotube composite films were fabricated using solution processing. Composite films with various weight percentages of multiwalled carbon nanotubes were fabricated. Physical properties of these composites were analyzed by thermogravimetric analysis, tensile testing, and scanning electron microscopy. These results indicate that the addition of multiwalled nanotubes to polyaniline significantly enhances the mechanical properties of the films. In addition, metal–semiconductor (composite) (MS) contact devices were fabricated, and it was observed that the current level in the films increased with increasing multiwalled nanotube content. Furthermore, it was observed that polyaniline containing one weight percent of carbon nanotubes appears to be the most promising composition for applications in organic electronic devices.

scholarly journals Influence of Defect Number, Distribution Continuity and Orientation on Tensile Strengths of the CNT-Based Networks: A Molecular Dynamics Study

2022 ◽  
Vol 17 (1) ◽  
Author(s):  
Xian Shi ◽  
Xiaoqiao He ◽  
Ligang Sun ◽  
Xuefeng Liu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Tensile Strength ◽  
Carbon Nanotube ◽  
Electronic Devices ◽  
Underlying Mechanism ◽  
Force Transmission ◽  
Tensile Direction ◽  
Defect Number ◽  
Number Distribution

Abstract Networks based on carbon nanotube (CNT) have been widely utilized to fabricate flexible electronic devices, but defects inevitably exist in these structures. In this study, we investigate the influence of the CNT-unit defects on the mechanical properties of a honeycomb CNT-based network, super carbon nanotube (SCNT), through molecular dynamics simulations. Results show that tensile strengths of the defective SCNTs are affected by the defect number, distribution continuity and orientation. Single-defect brings 0 ~ 25% reduction of the tensile strength with the dependency on defect position and the reduction is over 50% when the defect number increases to three. The distribution continuity induces up to 20% differences of tensile strengths for SCNTs with the same defect number. A smaller arranging angle of defects to the tensile direction leads to a higher tensile strength. Defective SCNTs possess various modes of stress concentration with different concentration degrees under the combined effect of defect number, arranging direction and continuity, for which the underlying mechanism can be explained by the effective crack length of the fracture mechanics. Fundamentally, the force transmission mode of the SCNT controls the influence of defects and the cases that breaking more force transmission paths cause larger decreases of tensile strengths. Defects are non-negligible factors of the mechanical properties of CNT-based networks and understanding the influence of defects on CNT-based networks is valuable to achieve the proper design of CNT-based electronic devices with better performances. Graphical Abstract

scholarly journals Molecular Dynamics Simulations for Effects of Fluoropolymer Binder Content in CL-20/TNT Based Polymer-Bonded Explosives

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 4876
Author(s):  
Shenshen Li ◽  
Jijun Xiao
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Correlation Function ◽  
Binding Energy ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Pair Correlation Function ◽  
Pair Correlation ◽  
Binder Content ◽  
Polymer Bonded Explosives

In order to better understand the role of binder content, molecular dynamics (MD) simulations were performed to study the interfacial interactions, sensitivity and mechanical properties of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane/2,4,6-trinitrotoluene (CL-20/TNT) based polymer-bonded explosives (PBXs) with fluorine rubber F2311. The binding energy between CL-20/TNT co-crystal (1 0 0) surface and F2311, pair correlation function, the maximum bond length of the N–NO2 trigger bond, and the mechanical properties of the PBXs were reported. From the calculated binding energy, it was found that binding energy increases with increasing F2311 content. Additionally, according to the results of pair correlation function, it turns out that H–O hydrogen bonds and H–F hydrogen bonds exist between F2311 molecules and the molecules in CL-20/TNT. The length of trigger bond in CL-20/TNT were adopted as theoretical criterion of sensitivity. The maximum bond length of the N–NO2 trigger bond decreased very significantly when the F2311 content increased from 0 to 9.2%. This indicated increasing F2311 content can reduce sensitivity and improve thermal stability. However, the maximum bond length of the N–NO2 trigger bond remained essentially unchanged when the F2311 content was further increased. Additionally, the calculated mechanical data indicated that with the increase in F2311 content, the rigidity of CL-20/TNT based PBXs was decrease, the toughness was improved.

Electronic and Mechanical Properties of Super Carbon Nanotube Networks

2006 ◽  
Vol 963 ◽  
Author(s):  
Vitor R. Coluci ◽  
Socrates O. Dantas ◽  
Ado Jorio ◽  
Douglas s Galvao
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Tight Binding ◽  
Deformation Mechanisms ◽  
Different Types ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes ◽  
Carbon Nanotube Networks ◽  
Main Deformation

ABSTRACTEletronic and mechanical properties of ordered carbon nanotube networks are studied using molecular dynamics simulations and tight-binding calculations. These networks are formed by single walled carbon nanotubes (SWNT) regularly connected by junctions. The use of different types of junctions (“Y”-, “X”-like junctions, for example) allows the construction of networks with different symmetries. These networks can be very flexible and the elastic deformation was associated with two main deformation mechanisms (bending and stretching ) of the constituents SWNTs. Rolling up the networks, “super” carbon nanotubes can be constructed. These super-tubes share some of the main electronic features of the SWNT which form them but important changes are predicted (e.g. reduction of bandgap value). Simulations of their deformations under tensile stress have revealed that the super-tubes are softer than the corresponding SWNT and that their rupture occur in higher strain values.

The influence of functionalization time of carbon nanotube on the mechanical properties of the epoxy composites

2017 ◽  
Vol 51 (12) ◽  
pp. 1693-1701 ◽  
Author(s):  
EA Zakharychev ◽  
EN Razov ◽  
Yu D Semchikov ◽  
NS Zakharycheva ◽  
MA Kabina
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Tensile Strength ◽  
Elastic Modulus ◽  
Carbon Nanotube ◽  
Composite Materials ◽  
Polymer Composites ◽  
Epoxy Composites ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

This paper investigates the structure, length, and percentage of functional groups of multi-walled carbon nanotubes (CNT) depending on the time taken for functionalization in HNO3 and H2SO4 mixture. The carbon nanotube content and influence of functionalization time on mechanical properties of polymer composite materials based on epoxy matrix are studied. The extreme dependencies of mechanical properties of carbon nanotube functionalization time of polymer composites were established. The rise in tensile strength of obtained composites reaches 102% and elastic modulus reaches 227% as compared to that of unfilled polymer. The composites exhibited best mechanical properties by including carbon nanotube with 0.5 h functionalization time.

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