@article{ZhangChenBoettcheretal.2015, author = {Zhang, Haocheng and Chen, Xuhui and B{\"o}ttcher, Markus and Guo, Fan and Li, Hui}, title = {Polarization swings reveal magnetic energy dissipation in blazars}, series = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, volume = {804}, journal = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, number = {1}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0004-637X}, doi = {10.1088/0004-637X/804/1/58}, pages = {11}, year = {2015}, abstract = {The polarization signatures of blazar emissions are known to be highly variable. In addition to small fluctuations of the polarization angle around a mean value, large (greater than or similar to 180 degrees) polarization angle swings are sometimes observed. We suggest that such phenomena can be interpreted as arising from light travel time effects within an underlying axisymmetric emission region. We present the first simultaneous fitting of the multi-wavelength spectrum, variability, and time-dependent polarization features of a correlated optical and gamma-ray flaring event of the prominent blazar 3C279, which was accompanied by a drastic change in its polarization signatures. This unprecedented combination of spectral, variability, and polarization information in a coherent physical model allows us to place stringent constraints on the particle acceleration and magnetic field topology in the relativistic jet of a blazar, strongly favoring a scenario in which magnetic energy dissipation is the primary driver of the flare event.}, language = {en} } @article{ZhangLideGrijsetal.2015, author = {Zhang, Chaoli and Li, Chengyuan and de Grijs, Richard and Bekki, Kenji and Deng, Licai and Zaggia, Simone and Rubele, Stefano and Piatti, Andres E. and Cioni, Maria-Rosa L. and Emerson, Jim and For, Bi-Qing and Ripepi, Vincenzo and Marconi, Marcella and Ivanov, Valentin D. and Chen, Li}, title = {The vmc survey. XVIII. radial dependence of the Low-Mass, 0.55-0.82M(circle dot) stellar mass function in the galactic globular cluster 47 tucanae}, series = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, volume = {815}, journal = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, number = {2}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0004-637X}, doi = {10.1088/0004-637X/815/2/95}, pages = {9}, year = {2015}, language = {en} } @article{ZehbeMochalesRadziketal.2015, author = {Zehbe, Rolf and Mochales, Carolina and Radzik, Daniela and Mueller, Wolf-Dieter and Fleck, Claudia}, title = {Electrophoretic deposition of multilayered (cubic and tetragonal stabilized) zirconia ceramics for adapted crack deflection}, series = {Journal of the European Ceramic Society}, volume = {36}, journal = {Journal of the European Ceramic Society}, number = {2}, publisher = {Elsevier}, address = {Oxford}, issn = {0955-2219}, doi = {10.1016/j.jeurceramsoc.2015.08.022}, pages = {357 -- 364}, year = {2015}, abstract = {The electrophoretic deposition process was used to produce multi-layered ceramics consisting of alternating layers of fully stabilized cubic zirconia and partially stabilized tetragonal zirconia to make use of their different mechanical behaviour, investigating the possibility to deflect advancing cracks at the interfaces of the different layers. This crack deflection is apparently impacted by a toughening mechanism only found in the tetragonal stabilized zirconia polymorph and is characterized by the stress induced transformation of the metastable tetragonal phase into the monoclinic one, which is accompanied by a volume increase resulting in a closing mechanism for advancing cracks. While improving the electrophoretic deposition process, we investigated the transformation toughening mechanism at the layer interfaces and their effect on crack propagation. Investigations involved a combination of different imaging methods, including light microscopy, white light interferometry, atomic force microscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy and Raman spectroscopy.}, language = {en} } @article{ZajnulinaBoehmBlowetal.2015, author = {Zajnulina, Marina and B{\"o}hm, Michael and Blow, K. and Rieznik, A. A. and Giannone, Domenico and Haynes, Roger and Roth, Martin M.}, title = {Soliton radiation beat analysis of optical pulses generated from two continuous-wave lasers}, series = {Chaos : an interdisciplinary journal of nonlinear science}, volume = {25}, journal = {Chaos : an interdisciplinary journal of nonlinear science}, number = {10}, publisher = {American Institute of Physics}, address = {Melville}, issn = {1054-1500}, doi = {10.1063/1.4930316}, pages = {6}, year = {2015}, abstract = {We propose a fibre-based approach for generation of optical frequency combs (OFCs) with the aim of calibration of astronomical spectrographs in the low and medium-resolution range. This approach includes two steps: in the first step, an appropriate state of optical pulses is generated and subsequently moulded in the second step delivering the desired OFC. More precisely, the first step is realised by injection of two continuous-wave (CW) lasers into a conventional single-mode fibre, whereas the second step generates a broad OFC by using the optical solitons generated in step one as initial condition. We investigate the conversion of a bichromatic input wave produced by two initial CW lasers into a train of optical solitons, which happens in the fibre used as step one. Especially, we are interested in the soliton content of the pulses created in this fibre. For that, we study different initial conditions (a single cosine-hump, an Akhmediev breather, and a deeply modulated bichromatic wave) by means of soliton radiation beat analysis and compare the results to draw conclusion about the soliton content of the state generated in the first step. In case of a deeply modulated bichromatic wave, we observed the formation of a collective soliton crystal for low input powers and the appearance of separated solitons for high input powers. An intermediate state showing the features of both, the soliton crystal and the separated solitons, turned out to be most suitable for the generation of OFC for the purpose of calibration of astronomical spectrographs.}, language = {en} } @article{ZajnulinaBoggioBoehmetal.2015, author = {Zajnulina, Marina and Boggio, Jose M. Chavez and B{\"o}hm, Michael and Rieznik, A. A. and Fremberg, Tino and Haynes, Roger and Roth, Martin M.}, title = {Generation of optical frequency combs via four-wave mixing processes for low- and medium-resolution astronomy}, series = {Applied physics : B, Lasers and optics}, volume = {120}, journal = {Applied physics : B, Lasers and optics}, number = {1}, publisher = {Springer}, address = {New York}, issn = {0946-2171}, doi = {10.1007/s00340-015-6121-1}, pages = {171 -- 184}, year = {2015}, abstract = {We investigate the generation of optical frequency combs through a cascade of four-wave mixing processes in nonlinear fibres with optimised parameters. The initial optical field consists of two continuous-wave lasers with frequency separation larger than 40 GHz (312.7 pm at 1531 nm). It propagates through three nonlinear fibres. The first fibre serves to pulse shape the initial sinusoidal-square pulse, while a strong pulse compression down to sub-100 fs takes place in the second fibre which is an amplifying erbium-doped fibre. The last stage is a low-dispersion highly nonlinear fibre where the frequency comb bandwidth is increased and the line intensity is equalised. We model this system using the generalised nonlinear Schrodinger equation and investigate it in terms of fibre lengths, fibre dispersion, laser frequency separation and input powers with the aim to minimise the frequency comb noise. With the support of the numerical results, a frequency comb is experimentally generated, first in the near infra-red and then it is frequency-doubled into the visible spectral range. Using a MUSE-type spectrograph, we evaluate the comb performance for astronomical wavelength calibration in terms of equidistancy of the comb lines and their stability.}, language = {en} } @phdthesis{Zajnulina2015, author = {Zajnulina, Marina}, title = {Optical frequency comb generation in optical fibres}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-88776}, school = {Universit{\"a}t Potsdam}, pages = {xii, 103}, year = {2015}, abstract = {Optical frequency combs (OFC) constitute an array of phase-correlated equidistant spectral lines with nearly equal intensities over a broad spectral range. The adaptations of combs generated in mode-locked lasers proved to be highly efficient for the calibration of high-resolution (resolving power > 50000) astronomical spectrographs. The observation of different galaxy structures or the studies of the Milky Way are done using instruments in the low- and medium resolution range. To such instruments belong, for instance, the Multi Unit Spectroscopic Explorer (MUSE) being developed for the Very Large Telescope (VLT) of the European Southern Observatory (ESO) and the 4-metre Multi-Object Spectroscopic Telescope (4MOST) being in development for the ESO VISTA 4.1 m Telescope. The existing adaptations of OFC from mode-locked lasers are not resolvable by these instruments. Within this work, a fibre-based approach for generation of OFC specifically in the low- and medium resolution range is studied numerically. This approach consists of three optical fibres that are fed by two equally intense continuous-wave (CW) lasers. The first fibre is a conventional single-mode fibre, the second one is a suitably pumped amplifying Erbium-doped fibre with anomalous dispersion, and the third one is a low-dispersion highly nonlinear optical fibre. The evolution of a frequency comb in this system is governed by the following processes: as the two initial CW-laser waves with different frequencies propagate through the first fibre, they generate an initial comb via a cascade of four-wave mixing processes. The frequency components of the comb are phase-correlated with the original laser lines and have a frequency spacing that is equal to the initial laser frequency separation (LFS), i.e. the difference in the laser frequencies. In the time domain, a train of pre-compressed pulses with widths of a few pico-seconds arises out of the initial bichromatic deeply-modulated cosine-wave. These pulses undergo strong compression in the subsequent amplifying Erbium-doped fibre: sub-100 fs pulses with broad OFC spectra are formed. In the following low-dispersion highly nonlinear fibre, the OFC experience a further broadening and the intensity of the comb lines are fairly equalised. This approach was mathematically modelled by means of a Generalised Nonlinear Schr{\"o}dinger Equation (GNLS) that contains terms describing the nonlinear optical Kerr effect, the delayed Raman response, the pulse self-steepening, and the linear optical losses as well as the wavelength-dependent Erbium gain profile for the second fibre. The initial condition equation being a deeply-modulated cosine-wave mimics the radiation of the two initial CW lasers. The numerical studies are performed with the help of Matlab scripts that were specifically developed for the integration of the GNLS and the initial condition according to the proposed approach for the OFC generation. The scripts are based on the Fourth-Order Runge-Kutta in the Interaction Picture Method (RK4IP) in combination with the local error method. This work includes the studies and results on the length optimisation of the first and the second fibre depending on different values of the group-velocity dispersion of the first fibre. Such length optimisation studies are necessary because the OFC have the biggest possible broadband and exhibit a low level of noise exactly at the optimum lengths. Further, the optical pulse build-up in the first and the second fibre was studied by means of the numerical technique called Soliton Radiation Beat Analysis (SRBA). It was shown that a common soliton crystal state is formed in the first fibre for low laser input powers. The soliton crystal continuously dissolves into separated optical solitons as the input power increases. The pulse formation in the second fibre is critically dependent on the features of the pulses formed in the first fibre. I showed that, for low input powers, an adiabatic soliton compression delivering low-noise OFC occurs in the second fibre. At high input powers, the pulses in the first fibre have more complicated structures which leads to the pulse break-up in the second fibre with a subsequent degradation of the OFC noise performance. The pulse intensity noise studies that were performed within the framework of this thesis allow making statements about the noise performance of an OFC. They showed that the intensity noise of the whole system decreases with the increasing value of LFS.}, language = {en} } @article{YinRajkovicVeeduetal.2015, author = {Yin, Zhong and Rajkovic, Ivan and Veedu, Sreevidya Thekku and Deinert, Sascha and Raiser, Dirk and Jain, Rohit and Fukuzawa, Hironobu and Wada, Shin-ichi and Quevedo, Wilson and Kennedy, Brian and Schreck, Simon and Pietzsch, Annette and Wernet, Philippe and Ueda, Kyoshi and F{\"o}hlisch, Alexander and Techert, Simone}, title = {Ionic solutions probed by resonant inelastic X-ray scattering}, series = {Zeitschrift f{\"u}r physikalische Chemie : international journal of research in physical chemistry and chemical physics}, volume = {229}, journal = {Zeitschrift f{\"u}r physikalische Chemie : international journal of research in physical chemistry and chemical physics}, number = {10-12}, publisher = {De Gruyter}, address = {Berlin}, issn = {0942-9352}, doi = {10.1515/zpch-2015-0610}, pages = {1855 -- 1867}, year = {2015}, abstract = {X-ray spectroscopy is a powerful tool to study the local charge distribution of chemical systems. Together with the liquid jet it becomes possible to probe chemical systems in their natural environment, the liquid phase. In this work, we present X-ray absorption (XA), X-ray emission (XE) and resonant inelastic X-ray scattering (RIXS) data of pure water and various salt solutions and show the possibilities these methods offer to elucidate the nature of ion-water interaction.}, language = {en} } @article{YadavalliKoenigSanter2015, author = {Yadavalli, Nataraja Sekhar and K{\"o}nig, Tobias and Santer, Svetlana}, title = {Selective mass transport of azobenzene-containing photosensitive films towards or away from the light intensity}, series = {Journal of the Society for Information Display}, volume = {23}, journal = {Journal of the Society for Information Display}, number = {4}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {1071-0922}, doi = {10.1002/jsid.306}, pages = {154 -- 162}, year = {2015}, abstract = {Here, we report on two photosensitive amorphous polymers showing opposite behavior upon exposure to illumination. The first polymer (PAZO) consists of linear backbone to which azobenzene-containing side chains are covalently attached, while in the second polymer (azo-PEI), the azobenzene side chains are attached ionically to a polyelectrolyte backbone. When irradiated through a mask, the PAZO goes away from the intensity maxima, leaving behind topography trenches, while the direction of the mass transport of the azo-PEI polymer points towards the intensity maxima. This kind of behavior has been reported only for certain liquid crystalline polymers that exhibit in-phase reaction on illumination, that is, topography maxima coincides with the intensity maxima. Furthermore, flat nanocrystals placed on top of azo-PEI film was found to be moved together with the mass transport of the underlying polymer film as visualized using in situ atomic force microscopy (AFM) measurements. It was also demonstrated that the two polymer films respond differently on irradiation with the polarization and intensity interference patterns (IPs). To record the kinetic of the surface relief grating formation within two polymers during irradiation with different IPs, we utilized a homemade setup combining the optical part for the generation of IP and AFM. A possible mechanism explaining different responses on the irradiation of amorphous polymers is discussed in the frame of a theoretical model proposed by Saphiannikova et al. (J. Phys. Chem. B 113, 5032-5045 (2009)).}, language = {en} } @article{XuShalomPiersimonietal.2015, author = {Xu, Jingsan and Shalom, Menny and Piersimoni, Fortunato and Antonietti, Markus and Neher, Dieter and Brenner, Thomas J. K.}, title = {Color-Tunable Photoluminescence and NIR Electroluminescence in Carbon Nitride Thin Films and Light-Emitting Diodes}, series = {Advanced optical materials}, volume = {3}, journal = {Advanced optical materials}, number = {7}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {2195-1071}, doi = {10.1002/adom.201500019}, pages = {913 -- 917}, year = {2015}, language = {en} } @article{XuCaoBrenneretal.2015, author = {Xu, Jingsan and Cao, Shaowen and Brenner, Thomas J. K. and Yang, Xiaofei and Yu, Jiaguo and Antonietti, Markus and Shalom, Menny}, title = {Supramolecular Chemistry in Molten Sulfur: Preorganization Effects Leading to Marked Enhancement of Carbon Nitride Photoelectrochemistry}, series = {Advanced functional materials}, volume = {25}, journal = {Advanced functional materials}, number = {39}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1616-301X}, doi = {10.1002/adfm.201502843}, pages = {6265 -- 6271}, year = {2015}, abstract = {Here, a new method for enhancing the photoelectrochemical properties of carbon nitride thin films by in situ supramolecular-driven preorganization of phenyl-contained monomers in molten sulfur is reported. A detailed analysis of the chemical and photophysical properties suggests that the molten sulfur can texture the growth and induce more effective integration of phenyl groups into the carbon nitride electrodes, resulting in extended light absorption alongside with improved conductivity and better charge transfer. Furthermore, photophysical measurements indicate the formation of sub-bands in the optical bandgap which is beneficial for exciton splitting. Moreover, the new bands can mediate hole transfer to the electrolyte, thus improving the photooxidation activity. The utilization of high temperature solvent as the polymerization medium opens new opportunities for the significant improvement of carbon nitride films toward an efficient photoactive material for various applications.}, language = {en} } @article{XinLaRueObergetal.2015, author = {Xin, Hong and LaRue, Jerry and Oberg, Henrik and Beye, Martin and Turner, J. J. and Gladh, J{\"o}rgen and Ng, May L. and Sellberg, Jonas A. and Kaya, Sarp and Mercurio, G. and Hieke, F. and Nordlund, Dennis and Schlotter, William F. and Dakovski, Georgi L. and Minitti, Michael P. and F{\"o}hlisch, Alexander and Wolf, Martin and Wurth, Wilfried and Ogasawara, Hirohito and Norskov, Jens K. and Ostrom, Henrik and Pettersson, Lars G. M. and Nilsson, Anders and Abild-Pedersen, Frank}, title = {Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics on Ru(0001) Probed by Ultrafast X-Ray Spectroscopy and Ab Initio Simulations}, series = {Physical review letters}, volume = {114}, journal = {Physical review letters}, number = {15}, publisher = {American Physical Society}, address = {College Park}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.114.156101}, pages = {6}, year = {2015}, abstract = {We show that coadsorbed oxygen atoms have a dramatic influence on the CO desorption dynamics from Ru(0001). In contrast to the precursor-mediated desorption mechanism on Ru(0001), the presence of surface oxygen modifies the electronic structure of Ru atoms such that CO desorption occurs predominantly via the direct pathway. This phenomenon is directly observed in an ultrafast pump-probe experiment using a soft x-ray free-electron laser to monitor the dynamic evolution of the valence electronic structure of the surface species. This is supported with the potential of mean force along the CO desorption path obtained from density-functional theory calculations. Charge density distribution and frozen-orbital analysis suggest that the oxygen-induced reduction of the Pauli repulsion, and consequent increase of the dative interaction between the CO 5 sigma and the charged Ru atom, is the electronic origin of the distinct desorption dynamics. Ab initio molecular dynamics simulations of CO desorption from Ru(0001) and oxygen-coadsorbed Ru(0001) provide further insights into the surface bond-breaking process.}, language = {en} } @article{WuerfelNeherSpiesetal.2015, author = {W{\"u}rfel, Uli and Neher, Dieter and Spies, Annika and Albrecht, Steve}, title = {Impact of charge transport on current-voltage characteristics and power-conversion efficiency of organic solar cells}, series = {Nature Communications}, volume = {6}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/ncomms7951}, pages = {9}, year = {2015}, abstract = {This work elucidates the impact of charge transport on the photovoltaic properties of organic solar cells. Here we show that the analysis of current-voltage curves of organic solar cells under illumination with the Shockley equation results in values for ideality factor, photo-current and parallel resistance, which lack physical meaning. Drift-diffusion simulations for a wide range of charge-carrier mobilities and illumination intensities reveal significant carrier accumulation caused by poor transport properties, which is not included in the Shockley equation. As a consequence, the separation of the quasi Fermi levels in the organic photoactive layer (internal voltage) differs substantially from the external voltage for almost all conditions. We present a new analytical model, which considers carrier transport explicitly. The model shows excellent agreement with full drift-diffusion simulations over a wide range of mobilities and illumination intensities, making it suitable for realistic efficiency predictions for organic solar cells.}, language = {en} } @article{WinklerAbel2015, author = {Winkler, Michael and Abel, Markus}, title = {Small- and large-scale characterization and mixing properties in a thermally driven thin liquid film}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {92}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {6}, publisher = {American Physical Society}, address = {College Park}, issn = {1539-3755}, doi = {10.1103/PhysRevE.92.063002}, pages = {10}, year = {2015}, abstract = {We study aqueous, freestanding, thin films stabilized by a surfactant with respect to mixing and dynamical systems properties. With this special setup, a two-dimensional fluid can be realized experimentally. The physics of the system involves a complex interplay of thermal convection and interface and gravitational forces. Methodologically, we characterize the system using two classical dynamical systems properties: Lyapunov exponents and entropies. Our experimental setup produces convection with two stable eddies by applying a temperature gradient in one spot that yields weakly turbulent mixing. From dynamical systems theory, one expects a relation of entropies, Lyapunov exponents, a prediction with little experimental support. We can confirm the corresponding statements experimentally, on different scales using different methods. On the small scale the motion and deformation of fluid filaments of equal size (color imaging velocimetry) are used to compute Lyapunov exponents. On the large scale, entropy is computed by tracking the left-right motion of the center fluid jet at the separatrix between the two convection rolls. We thus combine here dynamical systems methods with a concrete application of mixing in a nanoscale freestanding thin film.}, language = {en} } @phdthesis{Wieland2015, author = {Wieland, Volkmar}, title = {Particle-in-cell simulations of perpendicular supernova shock fronts}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-74532}, school = {Universit{\"a}t Potsdam}, pages = {v, 89}, year = {2015}, abstract = {The origin of cosmic rays was the subject of several studies for over a century. The investigations done within this dissertation are one small step to shed some more light on this mystery. Locating the sources of cosmic rays is not trivial due to the interstellar magnetic field. However, the Hillas criterion allows us to arrive at the conclusion that supernova remnants are our main suspect for the origin of galactic cosmic rays. The mechanism by which they are accelerating particles is found within the field of shock physics as diffusive shock acceleration. To allow particles to enter this process also known as Fermi acceleration pre-acceleration processes like shock surfing acceleration and shock drift acceleration are necessary. Investigating the processes happening in the plasma shocks of supernova remnants is possible by utilising a simplified model which can be simulated on a computer using Particle-in-Cell simulations. We developed a new and clean setup to simulate the formation of a double shock, i.e., consisting of a forward and a reverse shock and a contact discontinuity, by the collision of two counter-streaming plasmas, in which a magnetic field can be woven into. In a previous work, we investigated the processes at unmagnetised and at magnetised parallel shocks, whereas in the current work, we move our investigation on to magnetised perpendicular shocks. Due to a much stronger confinement of the particles to the collision region the perpendicular shock develops much faster than the parallel shock. On the other hand, this leads to much weaker turbulence. We are able to find indications for shock surfing acceleration and shock drift acceleration happening at the two shocks leading to populations of pre-accelerated particles that are suitable as a seed population to be injected into further diffusive shock acceleration to be accelerated to even higher energies. We observe the development of filamentary structures in the shock ramp of the forward shock, but not at the reverse shock. This leads to the conclusion that the development of such structures in the shock ramp of quasi-perpendicular collisionless shocks might not necessarily be determined by the existence of a critical sonic Mach number but by a critical shock speed. The results of the investigations done within this dissertation might be useful for further studies of oblique shocks and for studies using hybrid or magnetohydrodynamic simulations. Together with more sophisticated observational methods, these studies will help to bring us closer to an answer as to how particles can be accelerated in supernova remnants and eventually become cosmic rays that can be detected on Earth.}, language = {en} } @article{WernetKunnusJosefssonetal.2015, author = {Wernet, Philippe and Kunnus, Kristjan and Josefsson, Ida and Rajkovic, Ivan and Quevedo, Wilson and Beye, Martin and Schreck, Simon and Gruebel, S. and Scholz, Mirko and Nordlund, Dennis and Zhang, Wenkai and Hartsock, Robert W. and Schlotter, William F. and Turner, Joshua J. and Kennedy, Brian and Hennies, Franz and de Groot, Frank M. F. and Gaffney, Kelly J. and Techert, Simone and Odelius, Michael and F{\"o}hlisch, Alexander}, title = {Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)(5) in solution}, series = {Nature : the international weekly journal of science}, volume = {520}, journal = {Nature : the international weekly journal of science}, number = {7545}, publisher = {Nature Publ. Group}, address = {London}, issn = {0028-0836}, doi = {10.1038/nature14296}, pages = {78 -- 81}, year = {2015}, abstract = {Transition-metal complexes have long attracted interest for fundamental chemical reactivity studies and possible use in solar energy conversion(1,2). Electronic excitation, ligand loss from the metal centre, or a combination of both, creates changes in charge and spin density at the metal site(3-11) that need to be controlled to optimize complexes for photocatalytic hydrogen production(8) and selective carbon-hydrogen bond activation(9-11). An understanding at the molecular level of how transition-metal complexes catalyse reactions, and in particular of the role of the short-lived and reactive intermediate states involved, will be critical for such optimization. However, suitable methods for detailed characterization of electronic excited states have been lacking. Here we show, with the use of X-ray laser-based femtosecond-resolution spectroscopy and advanced quantum chemical theory to probe the reaction dynamics of the benchmark transition-metal complex Fe(CO)(5) in solution, that the photo-induced removal of CO generates the 16-electron Fe(CO)(4) species, a homogeneous catalyst(12,13) with an electron deficiency at the Fe centre(14,15), in a hitherto unreported excited singlet state that either converts to the triplet ground state or combines with a CO or solvent molecule to regenerate a penta-coordinated Fe species on a sub-picosecond timescale. This finding, which resolves the debate about the relative importance of different spin channels in the photochemistry of Fe(CO)(5) (refs 4, 16-20), was made possible by the ability of femtosecond X-ray spectroscopy to probe frontier-orbital interactions with atom specificity. We expect the method to be broadly applicable in the chemical sciences, and to complement approaches that probe structural dynamics in ultrafast processes.}, language = {en} } @article{WenzWillnerRadebachetal.2015, author = {Wenz, Leonie and Willner, Sven N. and Radebach, Alexander and Bierkandt, Robert and Steckel, Jan Christoph and Levermann, Anders}, title = {Regional and sectoral disaggregation of multi-regional input-output tables - a flexible algorithm}, series = {Economic systems research : journal of the International Input-Output Association}, volume = {27}, journal = {Economic systems research : journal of the International Input-Output Association}, number = {2}, publisher = {Routledge, Taylor \& Francis Group}, address = {Abingdon}, issn = {0953-5314}, doi = {10.1080/09535314.2014.987731}, pages = {194 -- 212}, year = {2015}, abstract = {A common shortcoming of available multi-regional input-output (MRIO) data sets is their lack of regional and sectoral detail required for many research questions (e.g. in the field of disaster impact analysis). We present a simple algorithm to refine MRIO tables regionally and/or sectorally. By the use of proxy data, each MRIO flow in question is disaggregated into the corresponding sub-flows. This downscaling procedure is complemented by an adjustment rule ensuring that the sub-flows match the superordinate flow in sum. The approximation improves along several iteration steps. The algorithm unfolds its strength through the flexible combination of multiple, possibly incomplete proxy data sources. It is also flexible in a sense that any target sector and region resolution can be chosen. As an exemplary case we apply the algorithm to a regional and sectoral refinement of the Eora MRIO database.}, language = {en} } @article{WeilbacherMonrealIberoKollatschnyetal.2015, author = {Weilbacher, Peter Michael and Monreal-Ibero, Ana and Kollatschny, Wolfram and Ginsburg, Adam and McLeod, Anna F. and Kamann, Sebastian and Sandin, Christer and Palsa, Ralf and Wisotzki, Lutz and Bacon, Roland and Selman, Fernando and Brinchmann, Jarle and Caruana, Joseph and Kelz, Andreas and Martinsson, Thomas and Pecontal-Rousset, Arlette and Richard, Johan and Wendt, Martin}, title = {A MUSE map of the central Orion Nebula (M 42)}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {582}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201526529}, pages = {16}, year = {2015}, abstract = {We present a new integral field spectroscopic dataset of the central part of the Orion Nebula (M 42), observed with the MUSE instrument at the ESO VLT. We reduced the data with the public MUSE pipeline. The output products are two FITS cubes with a spatial size of similar to 5'9 x 4'9 (corresponding to similar to 0.76 x 0.63 pc(2)) and a contiguous wavelength coverage of 4595 ... 9366 angstrom, spatially sampled at 0 ''.2. We provide two versions with a sampling of 1.25 angstrom and 0.85 angstrom in dispersion direction. Together with variance cubes these files have a size of 75 and 110 GiB on disk. They are the largest integral field mosaics to date in terms of information content. We make them available for use in the community. To validate this dataset, we compare world coordinates, reconstructed magnitudes, velocities, and absolute and relative emission line fluxes to the literature values and find excellent agreement. We derive a 2D map of extinction and present de-reddened flux maps of several individual emission lines and of diagnostic line ratios. We estimate physical properties of the Orion Nebula, using the emission line ratios [N II] and [S III] (for the electron temperature T-e) and [S II] and [Cl III] (for the electron density N-e), and show 2D images of the velocity measured from several bright emission lines.}, language = {en} } @article{WacheMcCarthyRisseetal.2015, author = {Wache, Remi and McCarthy, Denis N. and Risse, Sebastian and Kofod, Guggi}, title = {Rotary Motion Achieved by New Torsional Dielectric Elastomer Actuators Design}, series = {IEEE ASME transactions on mechatronics}, volume = {20}, journal = {IEEE ASME transactions on mechatronics}, number = {2}, publisher = {Inst. of Electr. and Electronics Engineers}, address = {Piscataway}, issn = {1083-4435}, doi = {10.1109/TMECH.2014.2301633}, pages = {975 -- 977}, year = {2015}, abstract = {This paper reports a new way to produce a rotation motion actuated by dielectric elastomer actuators. Two specific electrode designs have been developed and the rotation of the actuator centers has been demonstrated and measured. At low strains, the rotation shows a nearly quadratic dependence with the voltage. This behavior was used to compare the performances between the two proposed designs. Among the tested configurations, a maximal rotation of 10 degrees was achieved.}, language = {en} } @article{VlasovPikovskijMacau2015, author = {Vlasov, Vladimir and Pikovskij, Arkadij and Macau, Elbert E. N.}, title = {Star-type oscillatory networks with generic Kuramoto-type coupling: A model for "Japanese drums synchrony"}, series = {Chaos : an interdisciplinary journal of nonlinear science}, volume = {25}, journal = {Chaos : an interdisciplinary journal of nonlinear science}, number = {12}, publisher = {American Institute of Physics}, address = {Melville}, issn = {1054-1500}, doi = {10.1063/1.4938400}, pages = {13}, year = {2015}, abstract = {We analyze star-type networks of phase oscillators by virtue of two methods. For identical oscillators we adopt the Watanabe-Strogatz approach, which gives full analytical description of states, rotating with constant frequency. For nonidentical oscillators, such states can be obtained by virtue of the self-consistent approach in a parametric form. In this case stability analysis cannot be performed, however with the help of direct numerical simulations we show which solutions are stable and which not. We consider this system as a model for a drum orchestra, where we assume that the drummers follow the signal of the leader without listening to each other and the coupling parameters are determined by a geometrical organization of the orchestra. (C) 2015 AIP Publishing LLC.}, language = {en} } @article{VlasovKomarovPikovskij2015, author = {Vlasov, Vladimir and Komarov, Maxim and Pikovskij, Arkadij}, title = {Synchronization transitions in ensembles of noisy oscillators with bi-harmonic coupling}, series = {Journal of physics : A, Mathematical and theoretical}, volume = {48}, journal = {Journal of physics : A, Mathematical and theoretical}, number = {10}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1751-8113}, doi = {10.1088/1751-8113/48/10/105101}, pages = {16}, year = {2015}, abstract = {We describe synchronization transitions in an ensemble of globally coupled phase oscillators with a bi-harmonic coupling function, and two sources of disorder-diversity of the intrinsic oscillators' frequencies, and external independent noise forces. Based on the self-consistent formulation, we derive analytic solutions for different synchronous states. We report on various non-trivial transitions from incoherence to synchrony, with the following possible scenarios: simple supercritical transition (similar to classical Kuramoto model); subcritical transition with large area of bistability of incoherent and synchronous solutions; appearance of a symmetric two-cluster solution which can coexist with the regular synchronous state. We show that the interplay between relatively small white noise and finite-size fluctuations can lead to metastability of the asynchronous solution.}, language = {en} }