Related papers: Modeling Composites of Multi-Walled Carbon Nanotub…
Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and…
Carbon nanotubes (CNTs) are quasi-1D nanostructures that display both high thermal conductivity and intriguing low-dimensional phonon transport phenomena. In comparison to the advances made in the theoretical calculation of the lattice…
Random networks of single-walled carbon nanotubes (CNTs) usually contain both metallic (m-CNTs) and semiconducting (s-CNTs) nanotubes with an approximate ratio of 1:2, which leads to a trade-off between on-conductance and on/off ratio. We…
A (10x10) single-walled carbon nanotube consisting of 400 atoms with 20 layers is simulated under tensile loading using our developed O(N) parallel tight-binding molecular-dynamics algorithms. It is observed that the simulated carbon…
Carbon-based tubular materials have sparked a great interest for future electronics and optoelectronics device applications. In this work, we computationally studied the mechanical properties of nanotubes generated from popgraphene…
This work investigates the mechanical response of single-walled carbon nanotubes (SWCNTs) coupled through van der Waals and electrostatic forces using molecular dynamic (MD) simulations and a continuum model. In MD simulations, the covalent…
Vibrational properties of composites based on single-walled carbon nanotubes (SWNTs) and conducting polymers of the type polyaniline (PANI) and poly (3,4-ethylene dioxythiophene) (PEDOT) are reported. For PANI-functionalized SWNTs, the…
We use an atom-atom potential between carbon atoms to obtain an interaction potential between nanotubes (assumed rigid), thereby calculating the cohesive energy of a bunch of nanotubes in hexagonal two dimensional packing. The model…
In recent years, the immiscible polymer blend system has attracted much attention as the matrix of nanocomposites. Herein, from the perspective of dynamics, the control of the carbon nanotubes (CNTs) migration aided with the interface of…
The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…
Fibres of ultralong and aligned carbon nanotubes (CNT) have axial properties above reference engineering materials, proving to be exceptional materials for application in structural composites, energy storage and other devices. For CNT…
Penta-graphene is the name given to a novel puckered monolayer of carbon atoms tightly packed into an inerratic pentagonal network, theoretically, which exhibits excellent thermal and mechanical stability and can be rolled into…
Sensing technologies have been under research and development for their varied applications from microelectronics to space exploration. With the end of Moores law in sight, there is growing demand for shrinking materials and improving…
The interactions of charged particles moving paraxially in multi-walled carbon nanotubes (MWCNTs) may excite electromagnetic modes. This wake effect has recently been proposed as a potential novel method of short-wavelength high-gradient…
Single-walled carbon nanotubes are promising nanoelectronic materials but face long-standing challenges including production of pure semiconducting SWNTs and integration into ordered structures. Here, highly pure semiconducting…
Corrosion is an inevitable phenomenon that is inherent in metals and even though there has been significant research on this subject, no ideal protection has been discovered to fully prevent corrosion. However, methods such as using…
High-performance solution-processed short-channel carbon nanotube (CNT) thin film transistors (TFTs) are fabricated using densely aligned arrays of metallic CNTs (m-CNTs) as source and drain electrodes, and aligned arrays of semiconducting…
Based on density functional theory calculations, we here show that the formation of a fullerene C$_{60}$ carbon "nanobud" (CNB) on carbon nanotube (CNT) caps is energetically more favorable than that on CNT sidewalls. The dominant CNB…
Enhancing the fracture toughness of diamond while preserving its hardness is a significant challenge. Traditional toughening strategies have primarily focused on modulating the internal microstructural units of diamonds, including…
We present a novel computational framework to simulate the electromechanical response of self-sensing carbon nanotube (CNT)-based composites experiencing fracture. The computational framework combines electrical-deformation-fracture finite…