An embedded boundary framework for compressible turbulent flow and fluid–structure computations on structured and unstructured grids

The finite volume method with exact two‐phase Riemann problems (FIVER) is a two‐faceted computational method for compressible multi‐material (fluid–fluid, fluid–structure, and multi‐fluid–structure) problems characterized by large density jumps, and/or highly nonlinear structural motions and deformations. For compressible multi‐phase flow problems, FIVER is a Godunov‐type discretization scheme characterized by the construction and solution at the material interfaces of local, exact, two‐phase Riemann problems. For compressible fluid–structure interaction (FSI) problems, it is an embedded boundary method for computational fluid dynamics (CFD) capable of handling large structural deformations and topological changes. Originally developed for inviscid multi‐material computations on nonbody‐fitted structured and unstructured grids, FIVER is extended in this paper to laminar and turbulent viscous flow and FSI problems. To this effect, it is equipped with carefully designed extrapolation schemes for populating the ghost fluid values needed for the construction, in the vicinity of the fluid–structure interface, of second‐order spatial approximations of the viscous fluxes and source terms associated with Reynolds averaged Navier–Stokes (RANS)‐based turbulence models and large eddy simulation (LES). Two support algorithms, which pertain to the application of any embedded boundary method for CFD to the robust, accurate, and fast solution of FSI problems, are also presented in this paper. The first one focuses on the fast computation of the time‐dependent distance to the wall because it is required by many RANS‐based turbulence models. The second algorithm addresses the robust and accurate computation of the flow‐induced forces and moments on embedded discrete surfaces, and their finite element representations when these surfaces are flexible. Equipped with these two auxiliary algorithms, the extension of FIVER to viscous flow and FSI problems is first verified with the LES of a turbulent flow past an immobile prolate spheroid, and the computation of a series of unsteady laminar flows past two counter‐rotating cylinders. Then, its potential for the solution of complex, turbulent, and flexible FSI problems is also demonstrated with the simulation, using the Spalart–Allmaras turbulence model, of the vertical tail buffeting of an F/A‐18 aircraft configuration and the comparison of the obtained numerical results with flight test data. Copyright © 2014 John Wiley & Sons, Ltd.     

Coaxial configuration of the dielectric Cherenkov maser

The linearized Lorentz force, continuity equation, and Maxwell's equations are used to calculate the system dispersion relation for a coaxial configuration of the dielectric Cherenkov maser. The system consists of two coaxial conductors lined with dielectric and an annular relativistic electron beam, which propagates between the two liners. The dispersion relation for the beam and dielectric-lined coaxial waveguide structure and the no-beam system that describes the dependence of the generated frequency on the coaxial waveguide parameters are presented. Using the linearized dispersion relation, the growth rate for the beam-TM_0n waveguide mode instability is calculated in the strong-coupling tenuous beam limit     

Carrier hopping in InAs/AlyGa1−yAs quantum dot heterostructures: effects on optical and laser properties

The optical properties of InAs/Al_yGa_1−yAs self-assembled quantum dots are studied as a function of temperature from 10 K to room temperature. The temperature dependence of carrier hopping between dots is discussed in terms of the depth of the dot confinement potential and the dispersion in dot size and composition. We show that carrier hopping between dots influences both the electrical and optical properties of laser devices having dots as active medium.     

OPTIMAL ERROR ESTIMATES FOR NEDELEC EDGE ELEMENTS FOR TIME-HARMONIC MAXWELL'S EQUATIONS

In this paper, we obtain optimal error estimates in both L^2-norm and H（curl）-norm for the Nedelec edge finite element approximation of the time-harmonic Maxwell＇s equations on a general Lipschitz domain discretized on quasi-uniform meshes. One key to our proof is to transform the L^2 error estimates into the L^2 estimate of a discrete divergence-free function which belongs to the edge finite element spaces, and then use the approximation of the discrete divergence-free function by the continuous divergence-free function and a duality argument for the continuous divergence-free function. For Nedelec＇s second type elements, we present an optimal convergence estimate which improves the best results available in the literature.     

ESI‐MS/MS of expanded porphyrins: a look into their structure and aromaticity

Electrospray mass spectrometry/mass spectrometry was used to investigate the gas‐phase properties of protonated expanded porphyrins, in order to correlate those with their structure and conformation. We have selected five expanded meso‐pentafluorophenyl porphyrins, respectively, a pair of oxidized/reduced fused pentaphyrins (22 and 24 π electrons), a pair of oxidized/reduced regular hexaphyrins (26 and 28 π electrons) and a regular doubly N‐fused hexaphyrin (28 π electrons). The gas‐phase behavior of the protonated species of oxidized and reduced expanded porphyrins is different. The oxidized species (aromatic Hückel systems) fragment more extensively, mainly by the loss of two HF molecules. The reduced species (Möbius aromatic or Möbius‐like aromatic systems) fragment less than their oxidized counterparts because of their increased flexibility. The protonated regular doubly fused hexaphyrin (non‐aromatic Hückel system) shows the least fragmentation even at higher collision energies. In general, cyclization through losses of HF molecules decreases from the aromatic Hückel systems to Möbius aromatic or Möbius‐like aromatic systems to non‐aromatic Hückel systems and is related to an increase in conformational distortion. Copyright © 2016 John Wiley & Sons, Ltd.     

Surface reduction of solid 3d transition metal compounds during x-ray photoelectron spectroscopy

Pronounced surface reduction of some 3d transition metal compounds has been observed during measurements with an AEI ES200 X-ray photoelectron spectrometer. Systematic data indicate that the degree of reduction in a given compound does not depend on temperature, vacuum pressure or X-ray flux, but is a function only of the integrated X-ray dose. Particularly strong effects were found in cupric fluoride and potassium ferricyanide.     

Higher-order <Emphasis Type="Bold">?</Emphasis> corrections in the semiclassical quantization of chaotic billiards

In the periodic orbit quantization of physical systems, usually only the leading-order ? contribution to the density of states is considered. Therefore, by construction, the eigenvalues following from semiclassical trace formulae generally agree with the exact quantum ones only to lowest order of ?. In different theoretical work the trace formulae have been extended to higher orders of ?. The problem remains, however, how to actually calculate eigenvalues from the extended trace formulae since, even with ? corrections included, the periodic orbit sums still do not converge in the physical domain. For lowest-order semiclassical trace formulae the convergence problem can be elegantly, and universally, circumvented by application of the technique of harmonic inversion. In this paper we show how, for general scaling chaotic systems, also higher-order ? corrections to the Gutzwiller formula can be included in the harmonic inversion scheme, and demonstrate that corrected semiclassical eigenvalues can be calculated despite the convergence problem. The method is applied to the open three-disk scattering system, as a prototype of a chaotic system. Received 10 September 2001 and Received in final form 3 January 2002