Inference of molecular divertor density from filtered camera analysis of molecularly induced Balmer line emission during detachment in JET L-mode plasmas

A previously presented Monte Carlo method for estimating local plasma conditions in 2D based on intensity ratios of deuterium Balmer D α , D γ and D ɛ lines was amended to consider also the D α and D γ emission contributions arising from molecular processes. The obtained estimates were used to infer the molecular divertor density with the help of the molecular databases of EIRENE. The method was benchmarked against EDGE2D-EIRENE simulations and observed to reproduce the molecularly induced emission fractions and the molecular divertor densities primarily within 25% of the references. Experimental analysis of a JET L-mode density scan suggested molecularly induced D α and D γ contributions of up to 60–70% and 20%, respectively, during the process of detachment. The independent estimates of the molecular divertor density inferred from the obtained molecularly induced D α and D γ intensities agree within uncertainties with each other. Both estimates show the molecular density increasing up to approximately 1.0–2.0 × 1020 m−3 at the outer strike point in deep detachment with its ratio to the local electron density agreeing with EDGE2D-EIRENE predictions within the scatter of the experimental data.

Investigation of the role of defects on channel density profiles and their effect on the output characteristics of a nanowire FET

This work investigates the effect of defects on the electron density profiles of nanowire FETs with a rectangular cross-section. It also presents a framework for the discretization of the nanowire channels with defects. A self-consistent procedure using Schrodinger-Poisson solver with density matrix formalism calculates the local electron density profiles. The local electron density decreases due to defect-induced scattering potentials. The electron density profiles vary according to the nature of the intrinsic defects. The effect of defect-induced potentials on the output characteristics of the nanowire FET device is studied using the non-equilibrium Green's function (NEGF) methodology. An increase in scattering potential in the nanowire channel causes a considerable decrease in the saturation voltage and current. This results in a faster saturation which changes the overall device performance. Hence, defect-controlled channels can be utilized to fabricate FETs with desired characteristics.

Atomistic-Scale Simulations on Graphene Bending Near a Copper Surface

Molecular insights into graphene-catalyst surface interactions can provide useful information for the efficient design of copper current collectors with graphitic anode interfaces. As graphene bending can affect the local electron density, it should reflect its local reactivity as well. Using ReaxFF reactive molecular simulations, we have investigated the possible bending of graphene in vacuum and near copper surfaces. We describe the energy cost for graphene bending and the binding energy with hydrogen and copper with two different ReaxFF parameter sets, demonstrating the relevance of using the more recently developed ReaxFF parameter sets for graphene properties. Moreover, the draping angle at copper step edges obtained from our atomistic simulations is in good agreement with the draping angle determined from experimental measurements, thus validating the ReaxFF results.

Электронная структура соединения DyFe-=SUB=-2-=/SUB=-Si-=SUB=-2-=/SUB=-: зонный расчет и оптические исследования

Investigations of electronic structure and optical properties of DyFe2Si2 compound have been carried out. Calculations of the band structure were made with employing local electron density approximation with correction for strong electron correlation effects in the 4f-shells of rare earth metal (GGA+U method). Optical properties were studied by ellipsometric technique in wide wavelength interval. A number of spectral and electronic characteristics were determined. It is shown that the optical conductivity of the compound in interband transitions range is interpreted satisfactorily by means of the density of states calculations.