Molecular Dynamics Simulations of Atomic H Etching SiC Surface

A molecular dynamics simulation of water transport through C and SiC nanotubes: Application for desalination

In this work the conduction of ion-water solution through two discrete bundles of armchair carbon and silicon carbide nanotubes, as useful membranes for water desalination, is studied. In order that studies on different types of nanotubes be comparable, the chiral vectors of C and Si-C nanotubes are selected as (7,7) and (5,5), respectively, so that    a similar volume of fluid is investigated ...

A molecular dynamics simulation of water transport through C and SiC nanotubes: Application for desalination

In this work the conduction of ion-water solution through two discrete bundles of armchair carbon and silicon carbide nanotubes, as useful membranes for water desalination, is studied. In order that studies on different types of nanotubes be comparable, the chiral vectors of C and Si-C nanotubes are selected as (7,7) and (5,5), respectively, so that    a similar volume of fluid is investigated ...

Long Range Corrections to the Vapor-Liquid Equilibrium and Surface Tension of Methane with NVT Molecular Dynamics Simulations

Wetting behavior of water on silicon carbide polar surfaces.

Technically important wide band-gap semiconductors such as GaN, AlN, ZnO and SiC are crystallized in polar structures. Taking SiC as an example, we investigate the effect of surface polarity on the wetting behavior by water using experiments and molecular dynamic simulations. It is found that the contact angle (CA) of deionized water on the carbon-face (C-face) is significantly larger than that...

MD-Simulation of Duty Cycle and TaN Interlayer Effects on the Surface Properties of Ta Coatings Deposited by Pulsed-DC Plasma Assisted Chemical Vapor Deposition

In this work, molecular dynamics (MD) simulations were employed to investigate the effects of duty cycle changes and utilization of tantalum nitride interlayer on the surface roughness and adhesion of Ta coating deposited by pulsed-DC plasma assisted chemical vapor deposition. To examine the simulation results, some selected deposition conditions were experimentally implemented and characterize...