Related papers: Dislocation-CNT Interactions in Aluminium at the A…
Molecular level components, like carbon multiwalled nanotubes (MWNT), show great potential for future nanoelectronics. At low frequencies, only the outermost carbon layer determines the transport properties of the MWNT. Due to the…
The mechanism of the selective dispersion of single-walled carbon nanotubes (CNTs) by polyfluorene polymers is studied in this paper. Using extensive molecular dynamics simulations, it is demonstrated that diameter selectivity is the result…
Fluid and ionic transport at nanoscale recently highlighted a wealth of exotic behaviours. However, the artificial nanofluidic devices are still far from the advanced functionalities existing in biological systems, such as electrically and…
Austenitic stainless steels with low carbon have exceptional mechanical properties and are capable to reduce embrittlement, due to high chromium and nickel alloying, thus they are very attractive for efficient energy production in extreme…
We report spontaneous translocation of small interfering RNA (siRNA) inside carbon nanotubes (CNTs) of various diameters and chirality using all atom molecular dynamics (MD) simulations with explicit solvent. We use Umbrella sampling method…
We proposed a new way, adding intertube atoms, to enhance interfacial thermal conductance (ITC) between SiC-carbon nanotube (CNT) array structure. Non-equilibrium molecular dynamics method was used to study the ITC. The results show that…
Usually, in optical spectra of double-walled carbon nanotubes (DWCNTs) weak van der Waals coupling between the layers leads only to a small shift of transition energies with respect to their values in pristine single-walled nanotubes.…
High pressure Raman experiments were performed on bundled double wall carbon nanotubes (DWCNTs). We observe peculiar regularity in the strength of the inner-outer tube (intratube) interaction, which is attributed to the interplay between…
We use numerical simulations to investigate the properties of metal contacts to three-dimensional arrays of carbon nanotubes (CNTs). For undoped arrays top-contacted with high or low work function metals, electrostatic screening is very…
The interaction between hydrogen molecules and platinum (Pt)-decorated carbon nanotubes (CNTs) with boron (B)-, nitrogen (N)-dopants or sidewall vacancies is discussed from first-principle calculations. The adsorption patterns of hydrogen…
Graphyne nanotubes (GNTs) are nanostructures obtained from rolled up graphyne sheets, in the same way carbon nanotubes (CNTs) are obtained from graphene ones. Graphynes are 2D carbon-allotropes composed of atoms in sp and sp2 hybridized…
The interaction between dislocations and precipitates plays an important role in the mechanical behavior of alloys. To provide more insight into the physics of this interaction, this research analyzes short-range interactions of an edge…
In this paper we have investigated, through computer simulations, dislocation nucleation and dislocation dynamics in a heterostructure system with the lattice-mismatch interface, i.e. a system with internal strain. In particular, we have…
We present the results of analytical study and Molecular Dynamics simulation of low energy nonlinear non-stationary dynamics of single-walled carbon nanotubes (CNTs). New phenomena of intensive energy exchange between different parts of CNT…
We present an analytical model describing complex dynamics of a hybrid nonlinear system consisting of interacting carbon nanotubes (CNT) and a plasmonic metamaterial. Our model is based on the set of coupled equations, which incorporates…
High-density and nanosized deformation twins in face-centered cubic (fcc)materials can effectively improve the combination of strength and ductility. However, the microscopic dislocation mechanisms enabling a high twinnability remain…
Using a tight-binding model and some well-known approaches and methods based on Green's function theory and Landauer formalism, we numerically investigate the conductance properties and I-V characteristics of zigzag single-walled BCN alloy…
Interwall interaction energies of double-walled nanotubes (DWNTs) with long inner and short outer walls are calculated as functions of coordinates describing relative rotation and displacement of the walls using van der Waals corrected…
Large-scale fully interconnected ring carbon nanotube (CNT) networks were first prepared using thermo chemical vapor deposition in nano-channel network templates of porous anodic alumina. This conductive CNT network film consists of…
Molecular dynamics (MD) simulations with Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) force fields were conducted to determine the transversely isotropic elastic properties of carbon nanotubes (CNTs) containing vacancies.…