Article
Nanoscience & Nanotechnology
Sandeep P. Patil
Summary: By using molecular dynamics simulations, it was discovered that adding a small amount of double-walled carbon nanotubes (DWCNTs) to silica aerogel can significantly improve tensile strength and elastic modulus, mainly due to random distribution of strong and stiff DWCNT fibers. Elastic modulus values of nanocomposites increase quadratically with respect to the weight percentage of DWCNT fibers.
SCRIPTA MATERIALIA
(2021)
Article
Chemistry, Multidisciplinary
Nataliya A. Sakharova, Jorge M. Antunes, Andre F. G. Pereira, Bruno M. Chaparro, Jose Fernandes
Summary: This study focuses on the elastic properties of non-carbon nanotubes based on compounds of the 13th group of the periodic table. The research reveals that these nanotubes are more suitable candidates than carbon nanotubes for building novel nano-devices, and proposes a robust methodology to calculate the surface elastic moduli of phosphide nanotubes.
Article
Biochemistry & Molecular Biology
Aigul Shamsieva, Alexander Evseev, Irina Piyanzina, Oleg Nedopekin, Dmitrii Tayurskii
Summary: The use of carbon nanotubes is a promising direction in materials science for improving the mechanical properties of polymers. The addition of single-walled carbon nanotubes to a polymer can significantly enhance its mechanical, electrical, optical, and structural properties. However, there is a limit to the improvement, and exceeding a certain content of nanotubes can lead to a decrease in mechanical properties.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Jun Gao, Yaxin Jiang, Sibo Chen, Hongjie Yue, He Ren, Zhenxing Zhu, Fei Wei
Summary: This study demonstrates that molecular evolution is a characteristic of the preparation of ultralong carbon nanotubes, where chiral assembly is achieved through template auto-catalysis growth, and environmental factors affect the evolutionary growth.
Article
Chemistry, Physical
Hanqing Wei, Haifei Zhan, Yanjie Wang, Yizhuo Gu, Shaokai Wang, Zuoguang Zhang, Min Li
Summary: The mechanical properties of carbon nanotube (CNT) bundles are influenced by their stacking morphology, with bundles containing zigzag DWNTs exhibiting higher Young's modulus but lower yielding strength. Initial off-axial angle perturbations in constituent DWNTs can lead to misalignments that degrade the bundle structures' yielding strength and yielding strain. The impacts of stacking morphology on the overall tensile properties of DWNT bundles can be quantitatively predicted using an elastic column approximation for each DWNT.
Article
Chemistry, Physical
Byeonghwa Goh, Keon Jung Kim, Eun Sung Kim, Shi Hyeong Kim, Joonmyung Choi
Summary: This study investigated the use of smaller-diameter multi-walled carbon nanotubes in energy harvesters to enhance performance, revealing a correlation between decreased MWCNT diameter and improved energy harvesting capabilities. Molecular dynamics simulations were conducted to elucidate the mechanisms behind the increase in electrical double layer capacitance (EDLC) and open circuit voltage (OCV) in twistron energy harvesters, providing insights into the relationship between MWCNT diameter reduction and the density of interstitial spaces, laying the foundation for the development of twistron harvesters with significantly improved energy harvesting performance.
APPLIED SURFACE SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
F. Afsharirad, S. Mousanezhad, H. Biglari, O. Rahmani
Summary: The study calculated the axial interwall van der Waals forces of DWCNTs using MD method in the first part, and then investigated the effects on axial vibrations of DWCNTs by considering these forces in the second part. The results showed significant influence of axial interwall van der Waals forces on the natural frequencies of axial vibrations, especially with increasing length of DWCNTs.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Xianhua Nie, Li Zhao, Yu Zhu, Xi Chen, Shuai Deng
Summary: This study investigates the transport and composition separation of a binary organic mixed working fluid in a double-walled, T-shaped carbon nanotube, driven by temperature differences, achieving satisfactory composition separation results.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Nataliya A. Sakharova, Jorge M. Antunes, Andre F. G. Pereira, Bruno M. Chaparro, Jose Fernandes
Summary: This study investigated the elastic properties of chiral and non-chiral single-walled boron nitride nanotubes across a wide range of chiral indices and diameters using a three-dimensional finite element model. The impact of input parameters on numerical simulation results was extensively explored, and the elastic properties of single-walled boron nitride nanotubes were compared with those of single-walled carbon nanotubes.
Article
Materials Science, Multidisciplinary
Zakaria Saadi, Simon G. King, Jose Anguita, Vlad Stolojan, S. Ravi P. Silva
Summary: Thermoelectric materials offer a promising solution for recovering wasted energy, but their efficiency is low and the best materials are brittle, toxic, and expensive. This study demonstrates that flexible films of double-walled carbon nanotubes can achieve low thermal conductivity and high electrical conductivity, leading to the development of flexible, cheaper, and more efficient thermoelectric generators.
ENERGY & ENVIRONMENTAL MATERIALS
(2023)
Article
Chemistry, Physical
Ayse Nihan Basmaci
Summary: This study investigates the behaviors of electromagnetic wave propagation in a double-walled carbon nanotube, discussing the effects of material property parameters and the interaction between the inner and outer tubes. Nonlocal effects of the DWCNT on electromagnetic wave propagation and the specific frequencies of propagation are examined, with results showing convergence of frequencies at higher wavenumbers and decreasing frequencies with increasing nonlocal and material parameters.
Article
Materials Science, Multidisciplinary
Yaomin Li, Bin Zhang
Summary: The dynamic response behavior of SWCNT bundles, which can undergo various structural transitions under different pressures and shock velocities, is investigated using molecular dynamics simulations. The results show that the bundles undergo radial deformation, structural transformation, and liquefaction under different pressure and shock velocity conditions.
DIAMOND AND RELATED MATERIALS
(2023)
Article
Chemistry, Physical
Hai-Ning Zhang, Yin Fan, Hui-Shen Shen
Summary: This study analyzed the engineering Poisson's ratio (EPR) and incremental Poisson's ratio (IPR) of single-walled carbon nanotubes (SWCNTs) with different chiral angles and investigated the effect of chirality on rigidity. It was found that SWCNTs with different chiral angles exhibited different mechanical properties in terms of EPR and IPR in tension, compression, longitudinal, and radial directions. The critical strain for auxeticity was also found to be chirality-dependent. Additionally, a method for explaining the negative IPR phenomenon was proposed based on the contribution to radial strain.
Article
Engineering, Environmental
Miaoyue Zhang, Scott A. Bradford, Erwin Klumpp, Jirka Simunek, Chao Jin, Rongliang Qiu
Summary: The study found that the concentration ratio of MWCNTs and TX100 strongly influences the dispersion of MWCNTs and interaction forces between MWCNTs and QS. Additionally, the maximum transport of MWCNTs in QS occurred at an input concentration of TX100 lower than the critical micelle concentration.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Amit Srivastava, Jamal Hassan, Dirar Homouz
Summary: Water dynamics in nanochannels, especially in small carbon nanotubes, are influenced by confinement. Molecular dynamics simulations were performed to investigate the structure and dynamics of water in carbon nanotubes of various sizes and temperatures. The results showed that the radial density profile of water in small nanotubes had a single peak near the tube walls, while larger nanotubes exhibited coaxial tubular sheets of water molecules. Subdiffusive behavior was observed in ultra-narrow nanotubes, while Fickian diffusion was evident in larger nanotubes. The hydrogen bond correlation function of water in the nanotubes decayed slower than in bulk water, with the decay rate decreasing as the nanotube diameter increased.
