Impact-resistant carbon nanotube woven films: A molecular dynamics study

Nanoscale ◽  
2021 ◽  
Author(s):  
Fan Wu ◽  
Yushun Zhao ◽  
Yifan Zhao ◽  
Yue Zhao ◽  
Chao Sui ◽  
...  

The fiber-based fabrics have great potentials in impacting protection. Here we proposed a novel nanostructure, where the single-walled CNTs (SWCNTs) was employed to weave plain 2D films. The in-plane mechanical...

2012 ◽  
Vol 583 ◽  
pp. 22-26 ◽  
Author(s):  
Cui Cui Ling ◽  
Qing Zhong Xue ◽  
Xiao Yan Zhou

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.


2011 ◽  
Vol 1312 ◽  
Author(s):  
Byung-wook Kim ◽  
Steven Pfeifer ◽  
Sung-Hoon Park ◽  
Prabhakar R. Bandaru

ABSTRACTWe show evidence of electrical and thermal conductivity percolation in polymer based carbon nanotube (CNT) composites, which follow power law variations with respect to the CNT concentrations in the matrix. The experimentally obtained percolation thresholds, i.e., ~ 0.074 vol % for single walled CNTs and ~ 2.0 vol % for multi-walled CNTs, were found to be aspect ratio dependent and in accordance with those determined theoretically from excluded volume percolation theory. A much greater enhancement, over 10 orders of magnitude, was obtained in the electrical conductivity at the percolation threshold, while a smaller increase of ~ 100 % was obtained in the thermal conductivity values. Such a difference is qualitatively explained on the basis of the respective conductivity contrast between the CNT filler and the polymer matrix.


Author(s):  
Lin Hu ◽  
Haibin Chen ◽  
Gabriella Coloyan ◽  
Alan J. H. McGaughey

A carbon nanotube (CNT) aerogel is a low-density network of small diameter single-walled CNTs held together by van del Waals forces. Due to the excellent mechanical, thermal, and electrical properties of individual CNTs and the potential to fuse the junctions in the aerogel, CNT aerogels are candidates for ultralight structural media, radiation detectors, thermal insulators, and electrical conductors. Using molecular dynamics (MD) simulation, we predict the thermal conductance of the junction formed between two CNTs. To access the range of conditions present in the aerogel, we test the effects of different boundary conditions, the CNT lengths, and the rotational angle of the CNTs. A 3-D network model of the aerogel is built that will be used with the MD predictions to estimate the aerogel thermal conductivity.


2014 ◽  
Vol 970 ◽  
pp. 263-266 ◽  
Author(s):  
Monon Mahboob ◽  
M. Zahabul Islam

In the present study interfacial characteristics of carbon nanotubes (CNTs) and their composite with different types of defects are calculated using molecular dynamics (MD) simulation. Although single-walled CNTs (SWCNTs) are found to have ultra-high stiffness and strength, an enormous scatter is also observed in available experimental results due to the presence of nanoscale defects such as vacancy and Stone-Wales defects. The current paper investigates the influences of Stone-Wales (S-W) and vacancy defects on the mechanical properties of composites containing defective CNTs.


2010 ◽  
Vol 09 (04) ◽  
pp. 377-381
Author(s):  
KUMAR RAJ ◽  
QING ZHANG ◽  
LIANGYU YAN ◽  
MARY B. CHAN PARK

We report on the fabrication of carbon nanotube field effect transistors (CNTFETs) from dispersed single-walled CNTs using OCMC (O-Carboxymethylchitosan) as the surfactant. The as-prepared devices exhibit p-type as well as ambipolar characteristics due to oxygen adsorption at the metal/nanotube contacts. The Raman scattering from the SWCNTs shows that OCMC disperses CNTs efficiently. Rapid thermal annealing (RTA) at 400°C for 5 min is found to partially remove OCMC from the surface of SWCNTs.


Author(s):  
С.В. Булярский ◽  
Д.А. Богданова ◽  
Е.П. Кицюк ◽  
А.В. Лакалин ◽  
А.А. Павлов ◽  
...  

AbstractExperimental data showing a decrease in the work function of carbon nanotube (CNT) bundles and arrays hydrogenated in hydrogen-containing plasma are presented. This plasma treatment leads to hydrogen chemisorption on CNTs, which results in a work-function decrease from 4.8 to 3.3 eV. The experimental data confirm quantum-mechanical calculations for single-walled CNTs of variable chirality. Calculations indicate that a decrease in the CNT work function depends on both the properties of CNT and the degree of its passivation by hydrogen.


Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2908
Author(s):  
Kazuo Umemura ◽  
Ryo Hamano ◽  
Hiroaki Komatsu ◽  
Takashi Ikuno ◽  
Eko Siswoyo

Solubilization of carbon nanotubes (CNTs) is a fundamental technique for the use of CNTs and their conjugates as nanodevices and nanobiodevices. In this work, we demonstrate the preparation of CNT suspensions with “green” detergents made from coconuts and bamboo as fundamental research in CNT nanotechnology. Single-walled CNTs (SWNTs) with a few carboxylic acid groups (3–5%) and pristine multi-walled CNTs (MWNTs) were mixed in each detergent solution and sonicated with a bath-type sonicator. The prepared suspensions were characterized using absorbance spectroscopy, scanning electron microscopy, and Raman spectroscopy. Among the eight combinations of CNTs and detergents (two types of CNTs and four detergents, including sodium dodecyl sulfate (SDS) as the standard), SWNTs/MWNTs were well dispersed in all combinations except the combination of the MWNTs and the bamboo detergent. The stability of the suspensions prepared with coconut detergents was better than that prepared with SDS. Because the efficiency of the bamboo detergents against the MWNTs differed significantly from that against the SWNTs, the natural detergent might be useful for separating CNTs. Our results revealed that the use of the “green” detergents had the advantage of dispersing CNTs as well as SDS.


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