MD Sliding Simulations of Amorphous Tribofilms Consisting of either SiO2 or Carbon

MD Sliding Simulations of Amorphous Tribofilms Consisting of either SiO2 or Carbon

The sliding behaviors of two simplified tribofilms with amorphous structure consisting either of SiO2 molecules or C atoms were simulated by molecular dynamics modeling. The objective was to identify mechanisms explaining the experimentally observed lubricating properties of the two amorphous films. The impacts of layer thickness, normal pressure, temperature and different substrate materials w...

Quantum-mechanical atomistic simulations of sliding friction of carbon flakes

investigation of the electronic properties of carbon and iii-v nanotubes

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...

MAGNETISATION AND ELECTRON SPIN RESONANCE STUDIES OF TETRAHEDRAL AMORPHOUS CARBON

The magnetisation and electron spin resonance (ESR) spectrum of two specimens of tetrahedral amorphous carbon (ta-C), deposited from a filtered cathodic arc, were measured over a wide temperature range. The magnetisation was found to consist of superparamagnetic, paramagnetic and diamagnetic contributions. The superparamagnetic contribution resembled that recently found in carbon prepared from ...

detection of volatile compounds of medicinal plants with some nano-sorbents using modified or new methodologies and investigation of antioxidant activity of their methanolic extracts

in this work, a novel and fast method for direct analysis of volatile compounds (davc) of medicinal plants has been developed by holding a filament from different parts of a plant in the gc injection port. the extraction and analysis of volatile components of a small amount of plant were carried out in one-step without any sample preparation. after optimization of temperature, extraction time a...