VSP—a quantum-electronic simulation framework

The Vienna Schrödinger-Poisson (VSP) simulation framework for quantum-electronic engineering applications is presented. It is an extensive software tool that includes models for band structure calculation, self-consistent carrier concentrations including strain, mobility, and transport in transistors and heterostructure devices. The basic physical models are described. Through flexible combination of basic models sophisticated simulation setups for particular problems are feasible. The numerical tools, methods and libraries are presented. A layered software design allows VSP’s existing components such as models and solvers to be combined in a multitude of ways, and new components to be added easily. The design principles of the software are explained. Software abstraction is divided into the data, modeling and algebraic level resulting in a flexible physical modeling tool. The simulator’s capabilities are demonstrated with real-world simulation examples of tri-gate and nanoscale planar transistors, quantum dots, resonant tunneling diodes, and quantum cascade detectors.     

Fabrication of TBC-armored rocket combustion chambers by EB-PVD methods and TLP assembling

A thermal barrier coating (TBC) system for rocket chambers made of Cu-based high strength alloys has been developed in a pilot project in line with EB-PVD (electron-beam physical vapor deposition) technology aiming at TBC application on Cu-based walls of real rocket combustion chambers. The TBC system consists of a metallic bond coating compatible with Cu-based material and an yttria partially stabilized zirconia TBC. The TBC overlayer is a distinctive ceramic structure designed for an exceptionally low Young’s modulus to withstand the extreme mismatch stresses between the internally LN-cooled high thermal expansion Cu metal base and the low thermal expansion hot ceramic shell. The TBC system has been qualified under close-to-service conditions on cylindrical LH₂-cooled combustion chamber segments, where they have performed superior.

As EB-PVD technology is a line-of-sight process that is rather able to coat internal cavities, a transient liquid phase (TLP) joining technique for fully coated parts has been developed, that allows to assemble complete components out of vapor-accessible fully coated parts. It is capable, e.g. to incorporate sinuous cooling passages in the throat areas of combustion chambers, and/or to assemble oversized parts out of smaller components by maintaining parent metal properties. A manufacturing process is outlined for making internal TBC armored combustion chambers.     

Left ventricular deformation recovery from cine MRI using an incompressible model

This paper presents a method for 3-D deformation recovery of the left ventricular (LV) wall from anatomical cine magnetic resonance imaging (MRI). The method is based on a deformable model that is incompressible, a desired property since the myocardium has been shown to be nearly incompressible. The LV wall needs to be segmented in an initial frame after which the method automatically determines the deformation everywhere in the LV wall throughout the cardiac cycle. Two studies were conducted to validate the method. In the first study, the deformation recovered from a 3-D anatomical cine MRI of a healthy volunteer was compared against the manual segmentation of the LV wall and against the corresponding 3-D tagged cine MRI. The average volume agreement between the model and the manual segmentation had a false positive rate of 3%, false negative rate of 3%, and true positive rate of 93%. The average distance between the model and manually determined intersections of perpendicular tag planes was 1.6 mm (1.1 pixel). Another set of 3-D anatomical and tagged MRI scans was taken of the same volunteer four months later. The method was applied to the second set and the recovered deformation was very similar to the one obtained from the first set. In the second study, the method was applied to 3-D anatomical cine MRI scans of three patients with ventricular dyssynchrony and three age-matched healthy volunteers. The LV wall deformations recovered for the three normals agreed well and the recovered strains were similar to those reported by other researchers for normal subjects. Strains and displacements of the three patients were clearly smaller than those of the three normals indicating reduced cardiac function. The deformation recovered for the three normals and the three patients was validated against manual segmentation and corresponding tag cine MRI scans and the agreement was similar to that of the first validation study.     

Shock Wave—Boundary Layer Interaction in Forced Shock Oscillations

The flow in transonic diffusers as well as in supersonic air intakes becomes often unsteady due to shock wave boundary layer interaction. The oscillations may be induced by natural separation unsteadiness or may be forced by boundary conditions. Significant improvement of CFD tools, increase of computer resources as well as development of experimental methods have again.drawn the attention of researchers to this topic. To investigate the problem forced oscillations of transonic turbulent flow in asymmetric two-dimensional Laval nozzle were considered. A viscous, perfect gas flow, was numerically simulated using the Reynolds-averaged compressible Navier-Stokes solver SPARC, employing a two-equation, eddy viscosity, turbulence closure in the URANS approach.For time-dependent and stationary flow simulations, Mach numbers upstream of the shock between 1.2 and 1.4 were considered. Comparison of computed and experimental data for steady states generally gave acceptable agreement. In the case of forced oscilla     

Chemical-Sensory Characteristics and Consumer Responses of Blackcurrant Juices Produced by Different Industrial Processes

Four blackcurrant juices were produced in industrial scale to study the impact of different processes on the sensory-chemical characteristics and hedonic responses of consumers. Two juices were produced without enzymatic treatment of berries with or without further clarification and filtration. The residue was re-pressed using an enzyme-aided processing method to yield the third juice. The forth juice was obtained by conventional enzymatic processing of berries. The enzyme-aided juices were more astringent and bitter than the non-enzymatic juices, mostly due to higher contents of phenolic compounds, lower contents of sugars, and lower pH and sugar/acid ratio. Higher degree of polymerisation and lower procyanidin/prodelphinidin ratio in proanthocyanidins also contributed to higher intensities of astringencies of the enzyme-aided juices. Overall, the non-enzyme-aided juices received higher ranking in flavour, the enzyme-aided juices in odour. Sweetness, roundness, berryness, and high-sugar content were positive drivers for liking, whereas astringency, bitterness and high content of phenolic compounds were negative drivers. High-pectin content masked the astringency and bitterness of the juices. Higher liking ratings correlated with the previous consumption of blackcurrants and higher age of consumers. Gender showed clear impact on consumer rating of the juices. Males liked more enzyme-aided juices than females and vice versa with the juices produced without the use of enzymes. The processes investigated by this study maybe optimised for commercial production of juices targeted for different consumer groups.     

An inhibitory within-compound association attenuates overshadowing.

According to the comparator hypothesis (Miller & Matzel, 1988), cue competition depends on the association between a target stimulus (X) and a competing cue (e.g., an overshadowing cue [A]). Thus, it was expected that overshadowing would be reduced by establishing an inhibitory-like relationship between X and A before compound conditioning. In three lever press suppression experiments with rats, this expectation was supported. Experiment 1 showed that establishing an inhibitory X-A relationship reduced overshadowing. In Experiment 2, degrading the inhibitory-like relationship before conditioning allowed reinforced AX compound trials to result in overshadowing. Experiment 3 replicated the results of Experiment 2 when the inhibitory relationship was degraded after compound conditioning. The results support the view that within-compound associations are necessary not only for retrospective revaluation, but also for conventional cue competition. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

The effect of enzymatic treatment on blackcurrant (Ribes nigrum) juice flavour and its stability

The effects of different enzymatic treatments on the sensory profile and chemical composition, especially various phenolic compounds, sugars and fruit acids, of blackcurrant juices were investigated. In addition to pectinolytic activities, the enzymes had different cellulolytic, hemicellulolytic and glycolytic activities. The enzymatic treatments improved significantly the yield of juice, but with more fermented and astringent characteristics than juices without enzymatic hydrolysis. Enzymes with higher glycosidase activity increased astringency and the content of phenolic compounds in the juice. When the incubation temperature was elevated the contents of fruit acids increased whereas sugars and the perceived sweetness were the highest in the juices without enzymatic treatments. Despite of the significant changes in chemical composition, the sensory properties did not change significantly during 6 weeks of storage. Optimisation of the enzymatic process is crucial for juice making as maximising the juice yield or the content of phenolic compounds may produce unwanted sensory properties to the juice.     

Hierarchical Calcite Crystals with Occlusions of a Simple Polyelectrolyte Mimic Complex Biomineral Structures

Biominerals are complex inorganic‐organic structures that often show excellent mechanical properties. Here a bio‐inspired study of a remarkably simple synthetic system is presented in which only one charged polymer additive (poly(sodium 4‐styrenesulfonate)) is able to induce hierarchical structuring of calcite similar to biominerals. The interaction of the negatively charged polymer with the nucleation and growth of the mineral, in particular via selective adsorption to internal and external (001) facets of the calcite lattice, implies structural features from the micrometer down to the nanometer level. The crystals exhibit a distinct rounded morphology and a controlled orientation. Moreover, the polymer molecules are occluded within the crystals with different concentrations in well‐defined regions. This leads to the induction of a mesoscale structure based on 100 nm sized mineral building blocks with granular substructure and rough surface, as well as small modifications of the crystallographic structure. Such a combination of hierarchically organized structural features has previously only been reported for biogenic calcite, which is typically grown in a complex process involving multiple organic additives. It is also shown that the organic occlusions in the calcite‐PSS hybrid crystals strongly affect the mechanical performance, as known for some biominerals.     

Effect of heat recovery from raw wastewater on nitrification and nitrogen removal in activated sludge plants

By recovery of heat from the raw wastewater in the sewer system, the influent temperature of a wastewater treatment plant (WWTP) is reduced. This can have a negative effect on nitrification in the WWTP, since this process strongly depends on temperature. The analysis of the temperature regime in the WWTP of Zurich, Switzerland, revealed that in the cold season, the effluent temperature is about 0.7 degrees C higher than the influent temperature and that nitrification is not affected by a decrease of the influent wastewater temperature lasting for a couple of hours only, but is significantly affected by a longer lasting temperature decrease. Three diagrams were developed with a steady-state model, from which the consequences of a permanent temperature decrease on the nitrification safety factor, aerobic sludge retention time and total nitrogen removal can be evaluated. Using simulations with a dynamic model, calibrated for the Zurich WWTP, a quantitative relationship between the wastewater temperature and the ammonium effluent concentration was established. This relationship can, in combination with measured effluent concentrations of an existing WWTP, be used to predict the increase of the ammonium effluent concentration in this plant resulting from a permanent decrease of the wastewater influent temperature.     

Adult Exposure to Di-N-Butyl Phthalate (DBP) Induces Persistent Effects on Testicular Cell Markers and Testosterone Biosynthesis in Mice

Studies indicate that phthalates are endocrine disruptors affecting reproductive health. One of the most commonly used phthalates, di-n-butyl phthalate (DBP), has been linked with adverse reproductive health outcomes in men, but the mechanisms behind these effects are still poorly understood. Here, adult male mice were orally exposed to DBP (10 or 100 mg/kg/day) for five weeks, and the testis and adrenal glands were collected one week after the last dose, to examine more persistent effects. Quantification of testosterone, androstenedione, progesterone and corticosterone concentrations by liquid chromatography-mass spectrometry showed that testicular testosterone was significantly decreased in both DBP treatment groups, whereas the other steroids were not significantly altered. Western blot analysis of testis revealed that DBP exposure increased the levels of the steroidogenic enzymes CYP11A1, HSD3β2, and CYP17A1, the oxidative stress marker nitrotyrosine, and the luteinizing hormone receptor (LHR). The analysis further demonstrated increased levels of the germ cell marker DAZL, the Sertoli cell markers vimentin and SOX9, and the Leydig cell marker SULT1E1. Overall, the present work provides more mechanistic understanding of how adult DBP exposure can induce effects on the male reproductive system by affecting several key cells and proteins important for testosterone biosynthesis and spermatogenesis, and for the first time shows that these effects persist at least one week after the last dose. It also demonstrates impairment of testosterone biosynthesis at a lower dose than previously reported.