The electron-furfural scattering dynamics for 63 energetically open electronic states

We report on integral-, momentum transfer-and differential cross sections for elastic and electronically inelastic electron collisions with furfural (C5H4O2). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N-open) at either the static-exchange (N-open ch-SE) or the static-exchange-plus-polarisation (N-open ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections. (C) 2016 AIP Publishing LLC.

Modeling nonthermal emission from stellar bow shocks (Research Note)

Context. Runaway O- and early B-type stars passing through the interstellar medium at supersonic velocities and characterized by strong stellar winds may produce bow shocks that can serve as particle acceleration sites. Previous theoretical models predict the production of high-energy photons by nonthermal radiative processes, but their efficiency is still debated. Aims. We aim to test and explain the possibility of emission from the bow shocks formed by runaway stars traveling through the interstellar medium by using previous theoretical models. Methods. We applied our model to AE Aurigae, the first reported star with an X-ray detected bow shock, to BD+43 3654, in which the observations failed in detecting high-energy emission, and to the transition phase of a supergiant star in the late stages of its life. Results. From our analysis, we confirm that the X-ray emission from the bow shock produced by AE Aurigae can be explained by inverse Compton processes involving the infrared photons of the heated dust. We also predict low high-energy flux emission from the bow shock produced by BD+43 3654, and the possibility of high-energy emission from the bow shock formed by a supergiant star during the transition phase from blue to red supergiant. Conclusions. Bow shocks formed by different types of runaway stars are revealed as a new possible source of high-energy photons in our neighborhood.

Modeling nonthermal emission from stellar bow shocks (Research Note)

Context. Runaway O- and early B-type stars passing through the interstellar medium at supersonic velocities and characterized by strong stellar winds may produce bow shocks that can serve as particle acceleration sites. Previous theoretical models predict the production of high-energy photons by nonthermal radiative processes, but their efficiency is still debated. Aims. We aim to test and explain the possibility of emission from the bow shocks formed by runaway stars traveling through the interstellar medium by using previous theoretical models. Methods. We applied our model to AE Aurigae, the first reported star with an X-ray detected bow shock, to BD+43 3654, in which the observations failed in detecting high-energy emission, and to the transition phase of a supergiant star in the late stages of its life. Results. From our analysis, we confirm that the X-ray emission from the bow shock produced by AE Aurigae can be explained by inverse Compton processes involving the infrared photons of the heated dust. We also predict low high-energy flux emission from the bow shock produced by BD+43 3654, and the possibility of high-energy emission from the bow shock formed by a supergiant star during the transition phase from blue to red supergiant. Conclusions. Bow shocks formed by different types of runaway stars are revealed as a new possible source of high-energy photons in our neighborhood.

When and how to support renewables? Letting the data speak. Bruegel Working Paper 2014/01, February 2014

Low-carbon energy technologies are pivotal for decarbonising our economies up to 2050 while ensuring secure and affordable energy. Consequently, innovation that reduces the cost of low-carbon energy would play an important role in reducing transition costs. We assess the two most prominent innovation policy instruments (i) public research, development and demonstration (RD&D) subsidies and (ii) public deployment policies. Our results indicate that both deployment and RD&D coincide with increasing knowledge generation and the improved competitiveness of renewable energy technologies. We find that both support schemes together have a greater effect that they would individually, that RD&D support is unsurprisingly more effective in driving patents and that timing matters. Current wind deployment based on past wind RD&D spending coincides best with wind patenting. If we look into competitiveness we find a similar picture, with the greatest effect coming from deployment. Finally, we find significant cross-border effects, especially for winddeployment. Increased deployment in one country coincides with increased patenting in nearby countries. Based on our findings we argue that both deployment and RD&D support are needed to create innovation in renewable energy technologies. However, we worry that current support is unbalanced. Public spending on deployment has been two orders of magnitude larger (in 2010 about €48 billion in the five largest EU countries in 2010) than spending on RD&D support (about €315 million). Consequently, basing the policy mix more on empirical evidence could increase the efficiency of innovation policy targeted towards renewable energy technologies.

German companies strengthen their cooperation with Russian gas suppliers. OSW Commentary No. 64, 2011-10-24

Germany’s decision to give up the use of nuclear energy will force it to find a conventional low-carbon energy source as a replacement; in the short term, in addition to coal, this is likely to be gas. Due to their continued high debt and the losses associated with the end of atomic power, German companies will not be able to spend large funds on investing in conventional energy. First of all, they will aim to raise capital and repay their debts. The money for this will come from selling off their less profitable assets; this will include sales on the gas market. This will create opportunities for natural gas exporters and extraction companies such as Gazprom to buy back some of the German companies’ assets (electricity companies, for example). The German companies will probably continue to seek to recover the costs incurred in the investment projects already underway, such as Nord Stream, the importance of which will grow after Russian gas imports increase. At the same time, because of their debts, the German companies will seek to minimise their investment costs by selling some shares on the conventional energy market, to Russian corporations among others; the latter would thus be able to increase their stake in the gas market in both Western (Germany, Great Britain, the Benelux countries) and Central Europe (Poland, the Czech Republic). It is possible that while establishing the details of cooperation between the Russian and German companies, Russia will try to put pressure on Germany to give up competing projects such as Nabucco. However, a well-diversified German energy market should be able to defend itself against attempts to increase German dependence on Russian gas supplies and the dictates of high prices.

Lithium and rubidium concentrations in waters of seas and oceans

Data on lithium, rubidium and cesium concentrations in waters of open seas and oceans are summarized. Average amounts of these elements in the World Ocean inferred from published data and those obtained by the author are as follows: Li - 0.18 mg/l, Rb - 0.12 mg/l and Cs - 0.004 mg/l. Rare alkaline elements in the oceans and open seas are distributed (like sodium and potassium) in accordance with salinity. The ability of lithium to become a constituent of clay minerals accounts for its relatively low concentration in sea water as compared with that of sodium and potassium. Compared to rubidium and cesium that have high absorption energy and low hydration energy, lithium relatively enriches sea water. Residence times of these elements in the ocean are: Na - 120 My, Li - 2.7 My, Rb - 2.3 My and Cs - 0.3 My.

Facile ketene-ketene and ketene-ketenimine rearrangements: A study of the 1,3-migration of alpha-substituents interconverting alpha-imidoylketenes and alpha-oxoketenimines, a pseudopericyclic reaction

Theoretical calculations (B3LYP/6-311+G(3df,2p)//B3LYP/6-31G*) of the 1,3 migration of NR2 transforming alpha-oxoketenimines 1 to alpha-imidoylketenes 3 and vice versa indicate that this process is a pseudo-pericyclic reaction with a low activation energy (NH2 97 kJ mol(-1), N(CH3)(2) 62 kJ mol(-1)). The oxoketenimines were found to be more stable (by 18-35 kJ mol(-1)) which is in line with experimental observations. The hindered amine rotation in the amide and amidine moieties adjacent to the cumulenes are important in the migration of the NR2 group, as one of the rotation transition states is close to the 1,3 migration pathway. This gives an interesting potential energy surface with a valley-ridge inflection (VRI) between the orthogonal hindered amine rotation and 1,3 migration transition states. The imidoylketene may also undergo ring closure to an azetinone 5; however, this is metastable, and under the conditions that allow the 1,3-migration, the oxoketenimine 1 will be favored. The imine NH E/Z-interconversion of the ketenimine group takes place by inversion and has a low activation barrier (similar to40 kJ mol(-1)). In all the amidines examined the E/Z-interconversion of the imine function was predicted to be by rotation with a high barrier (>80 kJ mol(-1)), in contrast to all other reported imine E/Z-interconversions which are by inversion.

Mesoporous nanocrystalline zirconia with lamellar and MSU structure

Without introduction of any stabilizer, the mesoporous nanocrystalline zirconia with lamellar and MSU structure was obtained via solid state reaction coupled with surfactant templating method. The phase, surface area and pore structure of zirconia prepared with this novel method could be designed, tailored and controlled by varying synthesis parameters. The phase transformation was controlled by particle size. The mesostructure possesses nanocrystalline pore wall, which renders it more thermally stable than amorphous framework. The results suggest strongly that in solid state synthesis system mesostructure formation still follow the supramolecular self-assembly mechanism. The lamellar and reverse hexagonal structure could be transformed at different OH-/Zr molar ratios in order to sustain the low surface energy of the mesophases. The lamellar structure was preferred at higher OH-/Zr molar ratios but reverse hexagonal was at low ratios.

The effect of larval age on morphology and gene expression during ascidian metamorphosis

Metamorphosis is both an ecological and a developmental genetic transition that an organism undergoes as a normal part of ontogeny. Many organisms have the ability to delay metamorphosis when conditions are unsuitable. This strategy carries obvious benefits, but may also result in severe consequences for older larvae that run low on energy. In the marine environment, some lecithotrophic larvae that have prolonged periods in the plankton may begin forming postlarval and juvenile structures that normally do not appear until after settlement and the initiation of metamorphosis. This precocious activation of the postlarval developmental program may reflect an adaptation to increase the survival of older, energy-depleted larvae by allowing them to metamorphose more quickly. In the present study, we investigate morphological and genetic consequences of delay of metamorphosis in larvae of Herdmania momus (a solitary stolidobranch ascidian). We observe significant morphological and genetic changes during prolonged larval life, with older larvae displaying significant changes in RNA levels, precocious migration of mesenchyme cells, and changes in larval shape including shortening of the tail. While these observations suggest that the older H. momus larvae are functionally different from younger larvae and possibly becoming more predisposed to undergo metamorphosis, we did not find any significant differences in gene expression levels between postlarvae arising from larvae that metamorphosed as soon as they were competent and postlarvae developing from larvae that postponed metamorphosis. This recalibration, or convergence, of transcript levels in the early postlarva suggests that changes that occur during prolonged larval life of H. momus are not necessarily associated with early activation of adult organ differentiation. Instead, it suggests that an autonomous developmental program is activated in H. momus upon the induction of metamorphosis regardless of the history of the larva.

THz emission from quantum dot-based THz antennas pumped by a tunable quantum-dot laser diode

The THz optoelectronics field is now maturing and semiconductor-based THz antenna devices are becoming more widely implemented as analytical tools in spectroscopy and imaging. Photoconductive (PC) THz switches/antennas are driven optically typically using either an ultrashort-pulse laser or an optical signal composed of two simultaneous longitudinal wavelengths which are beat together in the PC material at a THz difference frequency. This allows the generation of (photo)carrier pairs which are then captured over ultrashort timescales usually by defects and trapping sites throughout the active material lattice. Defect-implanted PC materials with relatively high bandgap energy are typically used and many parameters such as carrier mobility and PC gain are greatly compromised. This paper demonstrates the implementation of low bandgap energy InAs quantum dots (QDs) embedded in standard crystalline GaAs as both the PC medium and the ultrafast capture mechanism in a PC THz antenna. This semiconductor structure is grown using standard MBE methods and allows the device to be optically driven efficiently at wavelengths up to ~1.3 µm, in this case by a single tunable dual-mode QD diode laser.

Through-thickness plasma modification of biodegradable and nonbiodegradable porous polymer constructs

Pure poly(lactide-co-glycolide) and polystyrene surfaces are not very suitable to support cell adhesion/ spreading owing to their hydrophobic nature and low surface energy. The interior surfaces of large porous 3D scaffolds were modified and activated using radio-frequency, low-pressure air plasma. An increase in the wettability of the surface was observed after exposure to air plasma, as indicated by the decrease in the contact angles of the wet porous system. The surface composition of the plasma-treated polymers was studied using X-ray photoelectron spectroscopy. pH-dependent zeta-potential measurements confirm the presence of an increased number of functional groups. However, the plasma-treated surfaces have a less acidic character than the original polymer surfaces as seen by a shift in their isoelectric point. Zeta-potential, as well as contact angle measurements, on 3D scaffolds confirm that plasma treatment is a useful tool to modify the surface properties throughout the interior of large scaffolds. © 2008 Wiley Periodicals, Inc.

Protection schemes for meshed VSC-HVDC transmission systems for large-scale offshore wind farms

This chapter discusses network protection of high-voltage direct current (HVDC) transmission systems for large-scale offshore wind farms where the HVDC system utilizes voltage-source converters. The multi-terminal HVDC network topology and protection allocation and configuration are discussed with DC circuit breaker and protection relay configurations studied for different fault conditions. A detailed protection scheme is designed with a solution that does not require relay communication. Advanced understanding of protection system design and operation is necessary for reliable and safe operation of the meshed HVDC system under fault conditions. Meshed-HVDC systems are important as they will be used to interconnect large-scale offshore wind generation projects. Offshore wind generation is growing rapidly and offers a means of securing energy supply and addressing emissions targets whilst minimising community impacts. There are ambitious plans concerning such projects in Europe and in the Asia-Pacific region which will all require a reliable yet economic system to generate, collect, and transmit electrical power from renewable resources. Collective offshore wind farms are efficient and have potential as a significant low-carbon energy source. However, this requires a reliable collection and transmission system. Offshore wind power generation is a relatively new area and lacks systematic analysis of faults and associated operational experience to enhance further development. Appropriate fault protection schemes are required and this chapter highlights the process of developing and assessing such schemes. The chapter illustrates the basic meshed topology, identifies the need for distance evaluation, and appropriate cable models, then details the design and operation of the protection scheme with simulation results used to illustrate operation. © Springer Science+Business Media Singapore 2014.

Properties of ultra fast deposited diamond-like hydrogenated carbon films

Hydrogenated amorphous carbon films with diamond like structures have been formed on different substrates at very low energies and temperatures by a plasma enhanced chemical vapor deposition process employing acetylene as the precursor gas. The plasma source was of a cascaded arc type with Ar as carrier gas. The films were grown at very high deposition rates. Deposition on Si, glass and plastic substrates has been studied and the films characterized in terms of sp3 content, roughness, hardness, adhesion and optical properties. Deposition rates up to 20 nm/s have been achieved at substrate temperatures below 100°C. The typical sp3 content of 60-75% in the films was determined by X-ray generated Auger electron spectroscopy. Hardness, reduced modulus and adhesion were measured using a MicroMaterials Nano Test Indenter/Scratch tester. Hardness was found to vary from 4 to 13 GPa depending on deposition conditions. Adhesion was significantly influenced by the substrate temperature and in situ DC cleaning. Hydrogen content in the film was measured by a combination of the Fourier transform infrared and Rutherford backscattering techniques. Advantages of these films are: low ion energy and deposition temperature, very high deposition rates, low capital cost of the equipment and the possibility of film properties being tailored according to the desired application.

Ice furrow mapping in the Laptev Sea

During the "Polarstern"-expeditions ARK-IX/4 (1993) and ARK-XI/1 (1995), organised by the Alfred Wegener Institute (AWI), acoustic subbottom profiles (Parasound) have been collected in the Laptev Sea Shelf, Siberia. These data have been interpreted as an indicator of ice scours frequency and off-shore permafrost patterns. An additional acoustic profile data-base was available by the results of the expedition of the Federal Institute for Geosciences and Natural Resources (BGR) of the year 1994. The area of the expedition was located closer to the shelf, therefore supports a better understanding of ice scours frequency in shallower marine environments. The data-file consists of a 2930 km Parasound-traverse and has been subdivided into 586 working profiles. They are characterised by their location, number of ice scours, interpreted patterns of reflection and their extension and morphology. The data have been evaluated statistically and graphically and were presented in a map. Different patterns of sea floor reflection were established by different environments, outer influences (e.g. size of the icebergs, direction of the drift of icebergs) and the climatic history of the region. In the north-westerly region of the Laptev Sea at the continental slope of Severnaya Zemlya the sea floor in shallower depths has been ploughed intensely by recent icebergs. In some regions (40-60m), as an effect of intensely ploughing, the sea floor is hardly defined in acoustic profiles come along with relocation of marine deposits. Glacial diamiet deposits prevented the development of deep scours. Up to 355m deeper scours result from lower sea levels. The marginal north-easterly region of the Laptev Sea is characterised exclusively by this type of scour. Morphology and depth of these scours can be compared with those of the westerly Vilkitsky-Street so that similar conditions of development may be expected. Both, the north-easterly Laptev Sea and the Vilkitsky-Street, are not dominated by patterns ofrecent icebergs. In contrary the shelf-regions north-easterly ofthe Taimyr peninsula and north-westerly of the New Siberian Islands have been modified evidently by recent icebergs, which drifted with prevalent currents anticlockwise along the shelf edge of the Laptev Sea and cause the deepest scours of the whole region. The off-shore permafrost at the inner shelf regions has an important influence on the scours intensity. The permafrost layer can be recognised by the maximum depth of ice scours. It is represented by a Parasound reflector that can be made up for distances. The age of the ice scours cannot be determined absolutely by Parasound data but a relative order can be estimated whenever two scours are situated close to each other. When the Parasound-traverse ofthe expedition ARK-IX/4 (1993) (77°24'N 133°30'E-77°30'N 133°40'E) was repeated partially in expedition ARK-XI/l (1995) the ice scours of 1993 remained unchanged and uneroded and no new ice scours had been detected. It can be concluded that scours persist for a long time in the Laptev Sea, though after all with an average of 3 ice scours per kilometer there are not many at all in the Laptev Sea.

Mesure de sections efficaces absolues vibrationnelles pour la collision d’électrons de basse énergie (1-19 eV) avec le tétrahydrofurane (THF) condensé

Résumé: Ce mémoire de maîtrise est une étude des probabilités d’interactions (sections efficaces) des électrons de basse énergie avec une molécule d’intérêt biologique. Cette molécule est le tétrahydrofurane (THF) qui est un bon modèle de la molécule constituant la colonne vertébrale de l’ADN; le désoxyribose. Étant donné la grande quantité d’électrons secondaires libérés lors du passage des radiations à travers la matière biologique et sachant que ceux-ci déposent la majorité de l’énergie, l’étude de leurs interactions avec les molécules constituant l’ADN devient rapidement d’une grande importance. Les mesures de sections efficaces sont faites à l’aide d’un spectromètre à haute résolution de pertes d’énergie de l’électron. Les spectres de pertes d’énergie de l’électron obtenus de cet appareil permettent de calculer les valeurs de sections efficaces pour chaque vibration en fonction de l’énergie incidente de l’électron. L’article présenté dans ce mémoire traite de ces mesures et des résultats. En effet, il présente et explique en détail les conditions expérimentales, il décrit la méthode de déconvolution qui est utilisée pour obtenir les valeurs de sections efficaces et il présente et discute des 4 résonances observées dans la dépendance en énergie des sections efficaces. En effet, cette étude a permis de localiser en énergie 4 résonances et celles-ci ont toutes été confirmées par des recherches expérimentales et théoriques antérieures sur le sujet des collisions électrons lents-THF. En outre, jamais ces résonances n’avaient été observées simultanément dans une même étude et jamais la résonance trouvée à basse énergie n’avait été observée avec autant d’intensité que cette présente étude. Cette étude a donc permis de raffiner notre compréhension fondamentale des processus résonants impliqués lors de collisions d’électrons secondaires avec le THF. Les valeurs de sections efficaces sont, quant à elles, très prisées par les théoriciens et sont nécessaires pour les simulations Monte Carlo pour prédire, par exemple, le nombre d’ions formées après le passage des radiations. Ces valeurs pourront justement être utilisées dans les modèles de distribution et dépôt d’énergie au niveau nanoscopique dans les milieux biologiques et ceux-ci pourront éventuellement améliorer l’efficacité des modalités radiothérapeutiques.