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Mechanical memory and computing are gaining significant traction as means to augment traditional electronics for robust and energy efficient performance in extreme environments. However, progress has largely focused on bistable…
In this work we use density functional theory (DFT) calculations to benchmark empirical potentials for the interaction between nickel and sp$^2$ bonded carbon nanoparticles. These potentials are then used in order to investigate how Ni…
C2CNT (Carbon dioxide to carbon nanotube) cement plants have been introduced and analyzed which provide a significant economic incentive to eliminate the massive CO2 greenhouse gas emissions of current plants and serves as a template for…
In the present study, we report a systematic study of doping/ admixing of carbon nanotubes (CNTs) in different concentrations in MgB2. The composite material corresponding to MgB2+ x at.%CNTs (35 at.% > x > 0 at.%) have been prepared by…
A climate mitigation comprehensive solution is presented through the first high yield, low energy synthesis of macroscopic length carbon nanotubes (CNT) wool from CO2 by molten carbonate electrolysis, suitable for weaving into carbon…
Current supercapacitors present several distinct limitations that severely inhibit the efficiency, power, and electrical capacitance of energy storage devices. Supercapacitors present an exciting prospect that has countless applications in…
Carbon nanotubes (CNTs) make an ideal one-dimensional (1D) material platform for the exploration of exotic physical phenomena under extremely strong quantum confinement. The 1D character of electrons, phonons and excitons in individual CNTs…
Interfacial friction plays a crucial role in the mechanical properties of carbon nanotube based fibers, composites, and devices. Here we use molecular dynamics simulation to investigate the pressure effect on the friction within carbon…
Molecular dynamics (MD) simulations of equilibrium structures and flows of polar water, nonpolar argon and methane, and mixtures of water and methane confined by single - walled carbon nanotubes (SWCNTs) with different rectangular cross…
This article deals with the multiscale modeling of stress transfer characteristics of nano-reinforced polymer composite reinforced with regularly staggered carbon fibers. The distinctive feature of construction of nano-reinforced composite…
In this study, the synthesis of multi-walled carbon nanotubes (MWCNTs) was carried out by chemical vapor deposition (CVD) using propane as the carbon source and Si as the catalyst support. The effect of CVD process variables such as…
Recently (PRL 96, 106804 (2006)) it was suggested that cobaltocene(CC) molecules encapsulated into (7,7) carbon nanotubes (CNT@(7,7)) could be the basis for new spintronic devices. We show here based on impact molecular dynamics and DFT…
Applications based on Single Walled Carbon Nanotube (SWNT) are good example of the great need to continuously develop metrology methods in the field of nanotechnology. Contact and interface properties are key parameters that determine the…
Carbon nanotube (CNT) based electronic devices are promising for beyond-silicon solid-state electronics and vacuum micro-nano-electronics. Despite rapid progress in CNT field-effect transistor related solid-state electronics, the…
Carbon nanotubes (CNTs - long tubular carbon nanostructures) belong to the best electron field emitting materials. Based on the experimentally determined electron density in the dual hot filament/DC plasma deposition system the electric…
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…
Transformation of carbon dioxide into carbon nanotubes, CNTs, by electrolysis in molten carbonates provides a low cost route to extract and store this greenhouse gas. CNTs are more stable, compact and valuable than fuels or other CO2…
Recent studies of single-walled carbon nanotubes (CNTs) in aqueous media have showed that water can significantly affect the tube mechanical properties. CNTs under hydrostatic compression can preserve their elastic properties up to large…
An investigation of quantum dynamical properties was conducted for $^{1}$H$^{+}$ / $^{2}$H$^{+}$ / $^{3}$H$^{+}$ ions as they traverse through a Carbon nanotube (CNT). The investigation is focused on a Fortran based program simulating a…
Quantum neural network (QNN) models have received increasing attention owing to their strong expressibility and resistance to overfitting. It is particularly useful when the size of the training data is small, making it a good fit for…