in the present study we focused on the electronic and structural properties of na and mg adsorption on the surface of the (6, 6) armchair sicnts. the adsorption energy (eads), band gap energy (eg), partial density of state (pdos), chemical potential (μ), global hardness (η), electrophilicity index (ω), global softness (s), work function values (φ) and work function change (δφ) are calculated by...

In the present study we focused on the electronic and structural properties of Na and Mg adsorption on the surface of the (6, 6) armchair SiCNTs. The adsorption energy (Eads), band gap energy (Eg), partial density of state (PDOS), chemical potential (μ), global hardness (η), electrophilicity index (ω), global softness (S), work function values (φ) and work function change (Δφ) are calculated by...

Magnesium based metal matrix composites (MMCs) have been extensively studied as an attractive choice for automotive and aerospace applications due to their low density and superior specific properties including strength, stiffness and creep resistance. Xi et al [1] studied the Ti6Al-4V particulate (TAp) reinforced magnesium matrix composite which is fabricated by powder metallurgy route. The te...

A carbon nanotube-enhanced SiC (CNT-SiC) coating was deposited on C/C composites to improve the oxidation resistance of C/C. The CNT-SiC coating was prepared by direct growth of CNTs on C/C surface at 700oC followed by deposition of SiC using chemical vapor deposition at 1150oC for 1 hour. SiC was deposited on the CNTs as well as the interface between CNTs and C/C, making CNTs strongly rooted o...

Separation of cyanide, as a model contaminant, from aqueous solution was investigated using molecular dynamics simulations. In this research, cyanide separation was investigated using armchair silicon carbide (SiC) nanotubes of four different diameters at different applied pressures. The systems included (5,5), (6,6), (7,7) and (8,8) SiC nanotubes placed between two graphene sheets, and an exte...

Multiwalled carbon nanotube (MWCNT) arrays have been directly synthesized from templated Fe2O3 nanoparticles on the C-face of 4H-SiC substrates by microwave plasma chemical vapor deposition (MPCVD), and the room-temperature thermal resistances of SiC-MWCNT-Ag interfaces at 69–345 kPa as well as the thermal resistances of SiCMWCNT-Ag interfaces up to 250 C (at 69 kPa) have been measured using a ...

We investigated the effect of annealing in a hydrogen atmosphere on carbon nanocap formation during decomposition of a 6H-SiC(000-1) surface. It was determined that native oxides were reduced to below the detection limit of X-ray photoelectron spectroscopy after 30 min of annealing at 1200 degrees C in a hydrogen atomosphere at 10(-3) Pa. In addition, we found that the homogeneity of carbon nan...

Density-functional tight-binding molecular dynamics (DFTB/MD) methods were employed to demonstrate single-walled carbon nanotube (SWNT) nucleation resulting from thermal annealing of SiC nanoparticles. SWNT nucleation in this case is preceded by a change of the SiC structure from a crystalline one, to one in which silicon and carbon are segregated. This structural transformation ultimately resu...

This paper provides a comprehensive review on the methodological development and technical applications of in situ microscopy, including transmission electron microscopy (TEM), scanning electron microscopy (SEM) and atomic force microscopy (AFM), developed in the last decade for investigating the structure-mechanical-property relationship of a single one-dimensional nanomaterial, such as nanotu...

Submitted for the MAR10 Meeting of The American Physical Society A hybrid density functional study of double walled armchair SiC nanotubes1 KAPIL ADHIKARI, ASOK RAY, Department of Physics, University of Texas Arlington — As a continuation of our studies of single walled SiC nanotubes,2 we report here a systematic study of double walled armchair type1 SiC nanotubes using the finite cluster appro...