TY - JOUR A1 - Rätzel, Dennis A1 - Wilkens, Martin A1 - Menzel, Ralf T1 - Effect of polarization entanglement in photon-photon scattering JF - Physical review : A, Atomic, molecular, and optical physics N2 - It is found that the differential cross section of photon-photon scattering is a function of the degree of polarization entanglement of the two-photon state. A reduced general expression for the differential cross section of photon-photon scattering is derived by applying simple symmetry arguments. An explicit expression is obtained for the example of photon-photon scattering due to virtual electron-positron pairs in quantum electrodynamics. It is shown how the effect in this explicit example can be explained as an effect of quantum interference and that it fits with the idea of distance-dependent forces. Y1 - 2017 U6 - https://doi.org/10.1103/PhysRevA.95.012101 SN - 2469-9926 SN - 2469-9934 VL - 95 IS - 1 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Gong, Chen Chris A1 - Klumpp, Stefan T1 - Modeling sRNA-Regulated Plasmid Maintenance JF - PLoS one N2 - We study a theoretical model for the toxin-antitoxin (hok/sok) mechanism for plasmid maintenance in bacteria. Toxin-antitoxin systems enforce the maintenance of a plasmid through post-segregational killing of cells that have lost the plasmid. Key to their function is the tight regulation of expression of a protein toxin by an sRNA antitoxin. Here, we focus on the nonlinear nature of the regulatory circuit dynamics of the toxin-antitoxin mechanism. The mechanism relies on a transient increase in protein concentration rather than on the steady state of the genetic circuit. Through a systematic analysis of the parameter dependence of this transient increase, we confirm some known design features of this system and identify new ones: for an efficient toxin-antitoxin mechanism, the synthesis rate of the toxin’s mRNA template should be lower that of the sRNA antitoxin, the mRNA template should be more stable than the sRNA antitoxin, and the mRNA-sRNA complex should be more stable than the sRNA antitoxin. Moreover, a short half-life of the protein toxin is also beneficial to the function of the toxin-antitoxin system. In addition, we study a therapeutic scenario in which a competitor mRNA is introduced to sequester the sRNA antitoxin, causing the toxic protein to be expressed. Y1 - 2017 U6 - https://doi.org/10.1371/journal.pone.0169703 SN - 1932-6203 VL - 12 PB - PLoS CY - San Fransisco ER - TY - JOUR A1 - Fandrich, Artur A1 - Buller, Jens A1 - Memczak, Henry A1 - Stoecklein, W. A1 - Hinrichs, K. A1 - Wischerhoff, E. A1 - Schulz, B. A1 - Laschewsky, André A1 - Lisdat, Fred T1 - Responsive Polymer-Electrode Interface-Study of its Thermo- and pH-Sensitivity and the Influence of Peptide Coupling JF - Electrochimica acta : the journal of the International Society of Electrochemistry (ISE) N2 - This study introduces a thermally responsive, polymer-based electrode system. The key component is a surface-attached, temperature-responsive poly(oligoethylene glycol) methacrylate (poly(OEGMA)) type polymer bearing photoreactive benzophenone and carboxy groups containing side chains. The responsive behavior of the polymer in aqueous media has been investigated by turbidimetry measurements. Polymer films are formed on gold substrates by means of the photoreactive 2(dicyclohexylphosphino)benzophenone (DPBP) through photocrosslinking. The electrochemical behavior of the resulting polymer-substrate interface has been investigated in buffered [Fe(CN)6](3-)/[Fe (CN)6](4-)solutions at room temperature and under temperature variation by cyclic voltammetry (CV). The CV experiments show that with increasing temperature structural changes of the polymer layer occur, which alter the output of the electrochemical measurement. Repeated heating/cooling cycles analyzed by CV measurements and pH changes analyzed by quartz crystal microbalance with dissipation monitoring (QCM-D) reveal the reversible nature of the restructuring process. The immobilized films are further modified by covalent coupling of two small biomolecules - a hydrophobic peptide and a more hydrophilic one. These attached components influence the hydrophobicity of the layer in a different way the resulting change of the temperature-caused behavior has been studied by CV indicating a different state of the polymer after coupling of the hydrophobic peptide. KW - Stimuli-responsive materials KW - electroanalysis KW - modified electrode KW - bioreceptors KW - peptides KW - surface modification KW - cyclic voltammetry KW - IR ellipsometry KW - quartz crystal microbalance Y1 - 2017 U6 - https://doi.org/10.1016/j.electacta.2017.01.080 SN - 0013-4686 SN - 1873-3859 VL - 229 SP - 325 EP - 333 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Zacharias, Michael A1 - Chen, Xuhui A1 - Wagner, Stefan T1 - Attenuation of TeV gamma-rays by the starlight photon field of the host galaxy JF - Monthly notices of the Royal Astronomical Society N2 - The absorption of TeV gamma-ray photons produced in relativistic jets by surrounding soft photon fields is a long-standing problem of jet physics. In some cases, the most likely emission site close to the central black hole is ruled out because of the high opacity caused by strong optical and infrared photon sources, such as the broad-line region. Mostly neglected for jet modelling is the absorption of gamma-rays in the starlight photon field of the host galaxy. Analysing the absorption for arbitrary locations and observation angles of the gamma-ray emission site within the host galaxy, we find that the distance to the galaxy centre, the observation angle, and the distribution of starlight in the galaxy are crucial for the amount of absorption. We derive the absorption value for a sample of 20 TeV-detected blazars with a redshift z(r) < 0.2. The absorption value of the gamma-ray emission located in the galaxy centre may be as high as 20 per cent, with an average value of 6 per cent. This is important in order to determine the intrinsic blazar parameters. We see no significant trends in our sample between the degree of absorption and host properties, such as starlight emissivity, galactic size, half-light radius, and redshift. While the uncertainty of the spectral properties of the extragalactic background light exceeds the effect of absorption by stellar light from the host galaxy in distant objects, the latter is a dominant effect in nearby sources. It may also be revealed in a differential comparison of sources with similar redshifts. KW - opacity KW - radiation mechanisms: non-thermal KW - galaxies: active KW - gamma-rays: galaxies Y1 - 2016 U6 - https://doi.org/10.1093/mnras/stw3032 SN - 0035-8711 SN - 1365-2966 VL - 465 IS - 3 SP - 3767 EP - 3774 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Anielski, Alexander A1 - Barbosa Pfannes, Eva Katharina A1 - Beta, Carsten T1 - Adaptive microfluidic gradient generator for quantitative chemotaxis experiments JF - Review of scientific instruments : a monthly journal devoted to scientific instruments, apparatus, and techniques N2 - Chemotactic motion in a chemical gradient is an essential cellular function that controls many processes in the living world. For a better understanding and more detailed modelling of the underlying mechanisms of chemotaxis, quantitative investigations in controlled environments are needed. We developed a setup that allows us to separately address the dependencies of the chemotactic motion on the average background concentration and on the gradient steepness of the chemoattractant. In particular, both the background concentration and the gradient steepness can be kept constant at the position of the cell while it moves along in the gradient direction. This is achieved by generating a well-defined chemoattractant gradient using flow photolysis. In this approach, the chemoattractant is released by a light-induced reaction from a caged precursor in a microfluidic flow chamber upstream of the cell. The flow photolysis approach is combined with an automated real-time cell tracker that determines changes in the cell position and triggers movement of the microscope stage such that the cell motion is compensated and the cell remains at the same position in the gradient profile. The gradient profile can be either determined experimentally using a caged fluorescent dye or may be alternatively determined by numerical solutions of the corresponding physical model. To demonstrate the function of this adaptive microfluidic gradient generator, we compare the chemotactic motion of Dictyostelium discoideum cells in a static gradient and in a gradient that adapts to the position of the moving cell. Published by AIP Publishing. Y1 - 2017 U6 - https://doi.org/10.1063/1.4978535 SN - 0034-6748 SN - 1089-7623 VL - 88 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Koopman, Wouter-Willem Adriaan A1 - Natali, Marco A1 - Donati, Giovanni P. A1 - Muccini, Michele A1 - Toffanin, Stefano T1 - Charge-exciton interaction rate in organic field-effect transistors by means of transient photoluminescence electromodulated spectroscopy JF - ACS photonics N2 - Organic light-emitting transistors (OLETs) offer a huge potential for the design of highly integrated multifunctional optoelectronic systems and of intense nano scale light sources, such as the long-searched-for electrically pumped organic laser. In order to fulfill these promises, the efficiency and brightness of the current state-of-the-art devices have to be increased significantly. The dominating quenching process limiting the external quantum efficiency in OLETs is charge-exciton interaction. A comprehensive understanding of this quenching process is therefore of paramount importance. The present article reports a systematic investigation of charge-exciton interaction in organic transistors employing time resolved photoluminescence electro-modulation (PLEM) spectroscopy on the picosecond time scale. The results show that the injected charges reduce the exciton radiative recombination in two ways: (i) charges may prevent the generation of excitons and (ii) charges activate a further nonradiative channel for the exciton decay. Moreover, the transient PLEM measurements clearly reveal that not only trapped charges, as already reported in literature, but rather the entire injected charge density contributes to the quenching of the exciton population. KW - photoluminescence quenching KW - charge density KW - exciton dynamics KW - organic KW - field-effect transistor KW - light emission KW - optical spectroscopy Y1 - 2017 U6 - https://doi.org/10.1021/acsphotonics.6b00573 SN - 2330-4022 VL - 4 IS - 2 SP - 282 EP - 291 PB - American Chemical Society CY - Washington, DC ER - TY - JOUR A1 - Sun, Ning-Chen A1 - de Grijs, Richard A1 - Subramanian, Smitha A1 - Cioni, Maria-Rosa L. A1 - Rubele, Stefano A1 - Bekki, Kenji A1 - Ivanov, Valentin D. A1 - Piatti, Andrés E. A1 - Ripepi, Vincenzo T1 - The VMC Survey. XXII. Hierarchical star formation in the 30 Doradus-N158-N159-N160 star-forming complex JF - The astrophysical journal : an international review of spectroscopy and astronomical physics N2 - We study the hierarchical stellar structures in a similar to 1.5 deg(2) area covering the 30. Doradus-N158-N159-N160 starforming complex with the VISTA Survey of. Magellanic Clouds. Based on the young upper main-sequence stars, we find that the surface densities cover a wide range of values, from log(Sigma.pc(2))less than or similar to -2.0 to log(Sigma. pc(2)) greater than or similar to 0.0. Their distributions are highly non-uniform, showing groups that frequently have subgroups inside. The sizes of the stellar groups do not exhibit characteristic values, and range continuously from several parsecs to more than 100. pc; the cumulative size distribution can be well described by a single power law, with the power-law index indicating a projected fractal dimension D-2 = 1.6 +/- 0.3. We suggest that the phenomena revealed here support a scenario of hierarchical star formation. Comparisons with other star-forming regions and galaxies are also discussed. KW - galaxies: clusters: general KW - infrared: stars KW - Magellanic Clouds KW - stars: formation Y1 - 2017 U6 - https://doi.org/10.3847/1538-4357/835/2/171 SN - 0004-637X SN - 1538-4357 VL - 835 IS - 2 PB - Institute of Physics Publ. CY - Bristol ER - TY - JOUR A1 - Warren, Donald C. A1 - Ellison, Donald C. A1 - Barkov, Maxim V. A1 - Nagataki, Shigehiro T1 - Nonlinear Particle Acceleration and Thermal Particles in GRB Afterglows JF - The astrophysical journal : an international review of spectroscopy and astronomical physics N2 - The standard model for GRB afterglow emission treats the accelerated electron population as a simple power law, N(E) proportional to E-p for p greater than or similar to 2. However, in standard Fermi shock acceleration, a substantial fraction of the swept-up particles do not enter the acceleration process at all. Additionally, if acceleration is efficient, then the nonlinear back-reaction of accelerated particles on the shock structure modifies the shape of the nonthermal tail of the particle spectra. Both of these modifications to the standard synchrotron afterglow impact the luminosity, spectra, and temporal variation of the afterglow. To examine the effects of including thermal particles and nonlinear particle acceleration on afterglow emission, we follow a hydrodynamical model for an afterglow jet and simulate acceleration at numerous points during the evolution. When thermal particles are included, we find that the electron population is at no time well fitted by a single power law, though the highest-energy electrons are; if the acceleration is efficient, then the power-law region is even smaller. Our model predicts hard-soft-hard spectral evolution at X-ray energies, as well as an uncoupled X-ray and optical light curve. Additionally, we show that including emission from thermal particles has drastic effects (increases by factors of 100 and 30, respectively) on the observed flux at optical and GeV energies. This enhancement of GeV emission makes afterglow detections by future gamma-ray observatories, such as CTA, very likely. KW - acceleration of particles KW - cosmic rays KW - gamma-ray burst: general KW - shock waves KW - turbulence Y1 - 2017 U6 - https://doi.org/10.3847/1538-4357/aa56c3 SN - 0004-637X SN - 1538-4357 VL - 835 IS - 2 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Liu, Lin A1 - Cherstvy, Andrey G. A1 - Metzler, Ralf T1 - Facilitated Diffusion of Transcription Factor Proteins with Anomalous Bulk Diffusion JF - The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces & biophysical chemistry N2 - What are the physical laws of the diffusive search of proteins for their specific binding sites on DNA in the presence of the macromolecular crowding in cells? We performed extensive computer simulations to elucidate the protein target search on DNA. The novel feature is the viscoelastic non-Brownian protein bulk diffusion recently observed experimentally. We examine the influence of the protein-DNA binding affinity and the anomalous diffusion exponent on the target search time. In all cases an optimal search time is found. The relative contribution of intermittent three-dimensional bulk diffusion and one-dimensional sliding of proteins along the DNA is quantified. Our results are discussed in the light of recent single molecule tracking experiments, aiming at a better understanding of the influence of anomalous kinetics of proteins on the facilitated diffusion mechanism. Y1 - 2017 U6 - https://doi.org/10.1021/acs.jpcb.6b12413 SN - 1520-6106 VL - 121 SP - 1284 EP - 1289 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Almeida, Leonardo A. A1 - Sana, H. A1 - Taylor, W. A1 - Barbá, Rodolfo A1 - Bonanos, Alceste Z. A1 - Crowther, Paul A1 - Damineli, Augusto A1 - de Koter, A. A1 - de Mink, Selma E. A1 - Evans, C. J. A1 - Gieles, Mark A1 - Grin, Nathan J. A1 - Hénault-Brunet, V. A1 - Langer, Norbert A1 - Lennon, D. A1 - Lockwood, Sean A1 - Maíz Apellániz, Jesús A1 - Moffat, A. F. J. A1 - Neijssel, C. A1 - Norman, C. A1 - Ramírez-Agudelo, O. H. A1 - Richardson, N. D. A1 - Schootemeijer, Abel A1 - Shenar, Tomer A1 - Soszyński, Igor A1 - Tramper, Frank A1 - Vink, J. S. T1 - The tarantula massive binary monitoring BT - I. Observational campaign and OB-type spectroscopic binaries JF - Astronomy and astrophysics : an international weekly journal N2 - Context: Massive binaries play a crucial role in the Universe. Knowing the distributions of their orbital parameters is important for a wide range of topics from stellar feedback to binary evolution channels and from the distribution of supernova types to gravitational wave progenitors, yet no direct measurements exist outside the Milky Way. Aims: The Tarantula Massive Binary Monitoring project was designed to help fill this gap by obtaining multi-epoch radial velocity (RV) monitoring of 102 massive binaries in the 30 Doradus region. Methods: In this paper we analyze 32 FLAMES/GIRAFFE observations of 93 O- and 7 B-type binaries. We performed a Fourier analysis and obtained orbital solutions for 82 systems: 51 single-lined (SB1) and 31 double-lined (SB2) spectroscopic binaries. Results: Overall, the binary fraction and orbital properties across the 30 Doradus region are found to be similar to existing Galactic samples. This indicates that within these domains environmental effects are of second order in shaping the properties of massive binary systems. A small difference is found in the distribution of orbital periods, which is slightly flatter (in log space) in 30 Doradus than in the Galaxy, although this may be compatible within error estimates and differences in the fitting methodology. Also, orbital periods in 30 Doradus can be as short as 1.1 d, somewhat shorter than seen in Galactic samples. Equal mass binaries (q> 0.95) in 30 Doradus are all found outside NGC 2070, the central association that surrounds R136a, the very young and massive cluster at 30 Doradus’s core. Most of the differences, albeit small, are compatible with expectations from binary evolution. One outstanding exception, however, is the fact that earlier spectral types (O2–O7) tend to have shorter orbital periods than later spectral types (O9.2–O9.7). Conclusions: Our results point to a relative universality of the incidence rate of massive binaries and their orbital properties in the metallicity range from solar (Z⊙) to about half solar. This provides the first direct constraints on massive binary properties in massive star-forming galaxies at the Universe’s peak of star formation at redshifts z ~ 1 to 2 which are estimated to have Z ~ 0.5 Z⊙. KW - stars: early-type KW - stars: massive KW - binaries: spectroscopic KW - binaries: close Y1 - 2017 U6 - https://doi.org/10.1051/0004-6361/201629844 SN - 1432-0746 VL - 598 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Gorobtsov, O. Yu. A1 - Mercurio, G. A1 - Brenner, G. A1 - Lorenz, Ulf A1 - Gerasimova, N. A1 - Kurta, R. P. A1 - Hieke, F. A1 - Skopintsev, P. A1 - Zaluzhnyy, I. A1 - Lazarev, S. A1 - Dzhigaev, D. A1 - Rose, M. A1 - Singer, A. A1 - Wurth, W. A1 - Vartanyants, I. A. T1 - Statistical properties of a free-electron laser revealed by Hanbury Brown-Twiss interferometry JF - Physical review : A, Atomic, molecular, and optical physics N2 - We present a comprehensive experimental analysis of statistical properties of the self-amplified spontaneous emission free-electron laser (FEL) FLASH by means of Hanbury Brown and Twiss interferometry. The experiments were performed at FEL wavelengths of 5.5, 13.4, and 20.8 nm. We determined the second-order intensity correlation function for all wavelengths and different operation conditions of FLASH. In all experiments a high degree of spatial coherence (above 50%) was obtained. Our analysis performed in spatial and spectral domains provided us with the independent measurements of an average pulse duration of the FEL that were below 60 fs. To explain the complicated behavior of the second-order intensity correlation function we developed an advanced theoretical model that includes the presence of multiple beams and external positional jitter of the FEL pulses. By this analysis we determined that in one of the experiments external positional jitter was about 25% of the beam size. We envision that methods developed in our study will be used widely for analysis and diagnostics of FEL radiation. Y1 - 2017 U6 - https://doi.org/10.1103/PhysRevA.95.023843 SN - 2469-9926 SN - 2469-9934 VL - 95 IS - 2 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Godec, Aljaž A1 - Metzler, Ralf T1 - First passage time statistics for two-channel diffusion JF - Journal of physics : A, Mathematical and theoretical N2 - We present rigorous results for the mean first passage time and first passage time statistics for two-channel Markov additive diffusion in a 3-dimensional spherical domain. Inspired by biophysical examples we assume that the particle can only recognise the target in one of the modes, which is shown to effect a non-trivial first passage behaviour. We also address the scenario of intermittent immobilisation. In both cases we prove that despite the perfectly non-recurrent motion of two-channel Markov additive diffusion in 3 dimensions the first passage statistics at long times do not display Poisson-like behaviour if none of the phases has a vanishing diffusion coefficient. This stands in stark contrast to the standard (one-channel) Markov diffusion counterpart. We also discuss the relevance of our results in the context of cellular signalling. KW - first passage time KW - Markov additive processes KW - Fokker-Planck equation KW - random search processes KW - coupled initial boundary value problem KW - cellular signalling KW - asymptotic analysis Y1 - 2017 U6 - https://doi.org/10.1088/1751-8121/aa5204 SN - 1751-8113 SN - 1751-8121 VL - 50 IS - 8 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Goychuk, Igor T1 - Quantum ergodicity breaking in semi-classical electron transfer dynamics JF - Physical chemistry, chemical physics : a journal of European Chemical Societies N2 - Can the statistical properties of single-electron transfer events be correctly predicted within a common equilibrium ensemble description? This fundamental in nanoworld question of ergodic behavior is scrutinized within a very basic semi-classical curve-crossing problem. It is shown that in the limit of non-adiabatic electron transfer (weak tunneling) well-described by the Marcus-Levich-Dogonadze (MLD) rate the answer is yes. However, in the limit of the so-called solvent-controlled adiabatic electron transfer, a profound breaking of ergodicity occurs. Namely, a common description based on the ensemble reduced density matrix with an initial equilibrium distribution of the reaction coordinate is not able to reproduce the statistics of single-trajectory events in this seemingly classical regime. For sufficiently large activation barriers, the ensemble survival probability in a state remains nearly exponential with the inverse rate given by the sum of the adiabatic curve crossing (Kramers) time and the inverse MLD rate. In contrast, near to the adiabatic regime, the single-electron survival probability is clearly non-exponential, even though it possesses an exponential tail which agrees well with the ensemble description. Initially, it is well described by a Mittag-Leffler distribution with a fractional rate. Paradoxically, the mean transfer time in this classical on the ensemble level regime is well described by the inverse of the nonadiabatic quantum tunneling rate on a single particle level. An analytical theory is developed which perfectly agrees with stochastic simulations and explains our findings. Y1 - 2016 U6 - https://doi.org/10.1039/c6cp07206b SN - 1463-9076 SN - 1463-9084 VL - 19 SP - 3056 EP - 3066 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Kunnus, Kristjan A1 - Josefsson, I. A1 - Schreck, Simon Frederik A1 - Quevedo, W. A1 - Miedema, P. S. A1 - Techert, S. A1 - de Groot, F. M. F. A1 - Föhlisch, Alexander A1 - Odelius, M. A1 - Wernet, Ph. T1 - Quantifying covalent interactions with resonant inelastic soft X-ray scattering BT - case study of Ni2+ aqua complex JF - Chemical physics letters N2 - We analyze the effects of covalent interactions in Ni 2p3d resonant inelastic X-ray scattering (RIXS) spectra from aqueous Ni2+ ions and find that the relative RIXS intensities of ligand-to-metal charge-transfer final states with respect to the ligand-field final states reflect the covalent mixing between Ni 3d and water orbitals. Specifically, the experimental intensity ratio at the Ni L-3-edge allows to determine that the Ni 3d orbitals have on average 5.5% of water character. We propose that 2p3d RIXS at the Ni L-3-edge can be utilized to quantify covalency in Ni complexes without the use of external references or simulations. KW - Transition-metal ion KW - Aqueous solution KW - Covalent interaction KW - Resonant inelastic X-ray scattering KW - Ligand-field state KW - Charge-transfer state Y1 - 2016 U6 - https://doi.org/10.1016/j.cplett.2016.12.046 SN - 0009-2614 SN - 1873-4448 VL - 669 SP - 196 EP - 201 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Olson, R. A1 - An, Soon-Il A1 - Fan, Y. A1 - Evans, J. P. A1 - Caesar, Levke T1 - North Atlantic observations sharpen meridional overturning projections JF - Climate dynamics : observational, theoretical and computational research on the climate system N2 - Atlantic Meridional Overturning Circulation (AMOC) projections are uncertain due to both model errors, as well as internal climate variability. An AMOC slowdown projected by many climate models is likely to have considerable effects on many aspects of global and North Atlantic climate. Previous studies to make probabilistic AMOC projections have broken new ground. However, they do not drift-correct or cross-validate the projections, and do not fully account for internal variability. Furthermore, they consider a limited subset of models, and ignore the skill of models at representing the temporal North Atlantic dynamics. We improve on previous work by applying Bayesian Model Averaging to weight 13 Coupled Model Intercomparison Project phase 5 models by their skill at modeling the AMOC strength, and its temporal dynamics, as approximated by the northern North-Atlantic temperature-based AMOC Index. We make drift-corrected projections accounting for structural model errors, and for the internal variability. Cross-validation experiments give approximately correct empirical coverage probabilities, which validates our method. Our results present more evidence that AMOC likely already started slowing down. While weighting considerably moderates and sharpens our projections, our results are at low end of previously published estimates. We project mean AMOC changes between periods 1960-1999 and 2060-2099 of -4.0 Sv and -6.8 Sv for RCP4.5 and RCP8.5 emissions scenarios respectively. The corresponding average 90% credible intervals for our weighted experiments are [-7.2, -1.2] and [-10.5, -3.7] Sv respectively for the two scenarios. KW - Atlantic Meridional Overturning Circulation KW - Climate modeling KW - Bayesian Model Averaging KW - Model structural error KW - Probabilistic projections Y1 - 2017 U6 - https://doi.org/10.1007/s00382-017-3867-7 SN - 0930-7575 SN - 1432-0894 VL - 50 IS - 11-12 SP - 4171 EP - 4188 PB - Springer CY - New York ER - TY - JOUR A1 - Kayser, Markus A1 - Maturilli, Marion A1 - Graham, Robert M. A1 - Hudson, Stephen R. A1 - Rinke, Annette A1 - Cohen, Lana A1 - Kim, Joo-Hong A1 - Park, Sang-Jong A1 - Moon, Woosok A1 - Granskog, Mats A. T1 - Vertical thermodynamic structure of the troposphere during the Norwegian young sea ICE expedition (N-ICE2015) JF - Journal of geophysical research-atmosheres N2 - The Norwegian young sea ICE (N-ICE2015) expedition was designed to investigate the atmosphere-snow-ice-ocean interactions in the young and thin sea ice regime north of Svalbard. Radiosondes were launched twice daily during the expedition from January to June 2015. Here we use these upper air measurements to study the multiple cyclonic events observed during N-ICE2015 with respect to changes in the vertical thermodynamic structure, moisture content, and boundary layer characteristics. We provide statistics of temperature inversion characteristics, static stability, and boundary layer extent. During winter, when radiative cooling is most effective, we find the strongest impact of synoptic cyclones. Changes to thermodynamic characteristics of the boundary layer are associated with transitions between the radiatively "clear" and "opaque" atmospheric states. In spring, radiative fluxes warm the surface leading to lifted temperature inversions and a statically unstable boundary layer. Further, we compare the N-ICE2015 static stability distributions to corresponding profiles from ERA-Interim reanalysis, from the closest land station in the Arctic North Atlantic sector, Ny-Alesund, and to soundings from the SHEBA expedition (1997/1998). We find similar stability characteristics for N-ICE2015 and SHEBA throughout the troposphere, despite differences in location, sea ice thickness, and snow cover. For Ny-Alesund, we observe similar characteristics above 1000 m, while the topography and ice-free fjord surrounding Ny-Alesund generate great differences below. The long-term radiosonde record (1993-2014) from Ny-Alesund indicates that during the N-ICE2015 spring period, temperatures were close to the climatological mean, while the lowest 3000 m were 1-3 degrees C warmer than the climatology during winter. Plain Language Summary The Norwegian young sea ICE (N-ICE2015) expedition was designed to investigate the atmosphere-snow-ice-ocean interactions in the young and thin sea ice regime north of Svalbard. Radiosondes were launched twice daily during the expedition from January to June 2015. Here we use these upper air measurements to study the multiple cyclonic events observed during N-ICE2015 with respect to changes in the vertical thermodynamic structure, moisture content, and the atmospheric boundary layer characteristics. During winter, we find the strongest impact of synoptic cyclones, which transport warm and moist air into the cold and dry Arctic atmosphere. In spring, incoming solar radiation warms the surface. This leads to very different thermodynamic conditions and higher moisture content, which reduces the contrast between stormy and calm periods. Further, we compare the N-ICE2015 measurements to corresponding profiles from ERA-Interim reanalysis, from the closest land station in the Arctic North Atlantic sector, Ny-Alesund, and to soundings from the SHEBA expedition (1997/1998). We find similar stability characteristics for N-ICE2015 and SHEBA throughout the troposphere, despite differences in location, sea ice thickness, and snow cover. The comparisons highlight the value of the N-ICE2015 observation and show the importance of winter time observations in the Arctic North Atlantic sector. Y1 - 2017 U6 - https://doi.org/10.1002/2016JD026089 SN - 2169-897X SN - 2169-8996 VL - 122 IS - 20 SP - 10855 EP - 10872 PB - American Geophysical Union CY - Washington ER - TY - JOUR A1 - Mardoukhi, Ahmad A1 - Mardoukhi, Yousof A1 - Hokka, Mikko A1 - Kuokkala, Veli-Tapani T1 - Effects of heat shock on the dynamic tensile behavior of granitic rocks JF - Rock mechanics and rock engineering N2 - This paper presents a new experimental method for the characterization of the surface damage caused by a heat shock on a Brazilian disk test sample. Prior to mechanical testing with a Hopkinson Split Pressure bar device, the samples were subjected to heat shock by placing a flame torch at a fixed distance from the sample’s surface for periods of 10, 30, and 60 s. The sample surfaces were studied before and after the heat shock using optical microscopy and profilometry, and the images were analyzed to quantify the damage caused by the heat shock. The complexity of the surface crack patterns was quantified using fractal dimension of the crack patterns, which were used to explain the results of the mechanical testing. Even though the heat shock also causes damage below the surface which cannot be quantified from the optical images, the presented surface crack pattern analysis can give a reasonable estimate on the drop rate of the tension strength of the rock. KW - SHPB KW - Rock KW - Granite KW - DIC KW - Dynamic loading KW - Fractal dimension Y1 - 2017 U6 - https://doi.org/10.1007/s00603-017-1168-4 SN - 0723-2632 SN - 1434-453X VL - 50 SP - 1171 EP - 1182 PB - Springer CY - Wien ER - TY - JOUR A1 - Heydari, Esmaeil A1 - Pastoriza-Santos, Isabel A1 - Liz-Marzan, Luis M. A1 - Stumpe, Joachim T1 - Nanoplasmonically-engineered random lasing in organic semiconductor thin films JF - Nanoscale horizons N2 - We demonstrate plasmonically nano-engineered coherent random lasing and stimulated emission enhancement in a hybrid gainmedium of organic semiconductors doped with core-shell plasmonic nanoparticles. The gain medium is composed of a 300 +/- 2 nm thin waveguide of an organic semiconductor, doped with 53 nm gold nanoparticle cores, isolated within silica shells. Upon loading the nanoparticles, the threshold of amplified spontaneous emission is reduced from 1.75 mu J cm(-2) x 10(2) for an undoped gain medium, to 0.35 mu J cm(-2) x 10(2) for a highly concentrated gain medium, and lasing spikes narrower than 0.1 nm are obtained. Most importantly, selection of silica shells with thicknesses of 10, 17 and 21 nm enables engineering of the plasmon-exciton energy coupling and consequently tuning of the laser slope efficiency. With this approach, the slope efficiency is increased by two times by decreasing the silica shell from 21 nm down to 10 nm, due to the enhancement of the localized electric field. Y1 - 2017 U6 - https://doi.org/10.1039/c7nh00054e SN - 2055-6756 SN - 2055-6764 VL - 2 SP - 261 EP - 266 PB - Royal Society of Chemistry CY - Cambridge ER - TY - JOUR A1 - Gout, Julien A1 - Quade, Markus A1 - Shafi, Kamran A1 - Niven, Robert K. A1 - Abel, Markus T1 - Synchronization control of oscillator networks using symbolic regression JF - Nonlinear Dynamics N2 - Networks of coupled dynamical systems provide a powerful way to model systems with enormously complex dynamics, such as the human brain. Control of synchronization in such networked systems has far-reaching applications in many domains, including engineering and medicine. In this paper, we formulate the synchronization control in dynamical systems as an optimization problem and present a multi-objective genetic programming-based approach to infer optimal control functions that drive the system from a synchronized to a non-synchronized state and vice versa. The genetic programming-based controller allows learning optimal control functions in an interpretable symbolic form. The effectiveness of the proposed approach is demonstrated in controlling synchronization in coupled oscillator systems linked in networks of increasing order complexity, ranging from a simple coupled oscillator system to a hierarchical network of coupled oscillators. The results show that the proposed method can learn highly effective and interpretable control functions for such systems. KW - Dynamical systems KW - Synchronization control KW - Genetic programming Y1 - 2017 U6 - https://doi.org/10.1007/s11071-017-3925-z SN - 0924-090X SN - 1573-269X VL - 91 IS - 2 SP - 1001 EP - 1021 PB - Springer CY - Dordrecht ER - TY - JOUR A1 - Kegeles, Alexander A1 - Oriti, Daniele T1 - Continuous point symmetries in group field theories JF - Journal of physics : A, Mathematical and theoretical N2 - We discuss the notion of symmetries in non-local field theories characterized by integro-differential equations of motion, from a geometric perspective. We then focus on group field theory (GFT) models of quantum gravity and provide a general analysis of their continuous point symmetry transformations, including the generalized conservation laws following from them. KW - group field theory KW - quantum field theory KW - conservation laws KW - continuous symmetries Y1 - 2017 U6 - https://doi.org/10.1088/1751-8121/aa5c14 SN - 1751-8113 SN - 1751-8121 VL - 50 IS - 12 PB - IOP Publishing Ltd CY - Bristol ER - TY - JOUR A1 - Feudel, Fred A1 - Tuckerman, Laurette S. A1 - Zaks, Michael A1 - Hollerbach, Rainer T1 - Hysteresis of dynamos in rotating spherical shell convection JF - Physical review fluids / American Physical Society N2 - Bifurcations of dynamos in rotating and buoyancy-driven spherical Rayleigh-Benard convection in an electrically conducting fluid are investigated numerically. Both nonmagnetic and magnetic solution branches comprised of rotating waves are traced by path-following techniques, and their bifurcations and interconnections for different Ekman numbers are determined. In particular, the question of whether the dynamo branches bifurcate super- or sub-critically and whether a direct link to the primary pure convective states exists is answered. Y1 - 2017 U6 - https://doi.org/10.1103/PhysRevFluids.2.053902 SN - 2469-990X VL - 2 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Morgner, Frank A1 - Bennemann, Mark A1 - Cywiński, Piotr J. A1 - Kollosche, Matthias A1 - Górski, Krzysztof A1 - Pietraszkiewicz, Marek A1 - Geßner, André A1 - Löhmannsröben, Hans-Gerd T1 - Elastic FRET sensors for contactless pressure measurement JF - RSC Advances : an international journal to further the chemical sciences N2 - Contactless pressure monitoring based on Forster resonance energy transfer between donor/acceptor pairs immobilized within elastomers is demonstrated. The donor/acceptor energy transfer is employed by dispersing terbium(III) tris[(2-hydroxybenzoyl)-2-aminoethyl] amine complex (LLC, donor) and CdSe/ZnS quantum dots (QD655, acceptor) in styrene-ethylene/buthylene-styrene (SEBS) and poly(dimethylsiloxane) (PDMS). The continuous monitoring of QD luminescence showed a reversible intensity change as the pressure signal is alternated between two stable states indicating a pressure sensitivity of 6350 cps kPa(-1). Time-resolved measurements show the pressure impact on the FRET signal due to an increase of decay time (270 ms up to 420 ms) for the donor signal and parallel drop of decay time (170 mu s to 155 mu s) for the acceptor signal as the net pressure applied. The LLC/QD655 sensors enable a contactless readout as well as space resolved monitoring to enable miniaturization towards smaller integrated stretchable opto-electronics. Elastic FRET sensors can potentially lead to developing profitable analysis systems capable to outdo conventional wired electronic systems (inductive, capacitive, ultrasonic and photoelectric sensors) especially for point-of-care diagnostics, biological monitoring required for wearable electronics. Y1 - 2017 U6 - https://doi.org/10.1039/c7ra06379b SN - 2046-2069 VL - 7 SP - 50578 EP - 50583 PB - RSC Publishing CY - Cambridge ER - TY - JOUR A1 - Dahlke, Sandro A1 - Maturilli, Marion T1 - Contribution of atmospheric advection to the amplified winter warming in the arctic north atlantic region JF - Advances in meteorology N2 - Arctic Amplification of climate warming is caused by various feedback processes in the atmosphere-ocean-ice system and yields the strongest temperature increase during winter in the Arctic North Atlantic region. In our study, we attempt to quantify the advective contribution to the observed atmospheric warming in the Svalbard area. Based on radiosonde measurements from Ny-Ålesund, a strong dependence of the tropospheric temperature on the synoptic flow direction is revealed. Using FLEXTRA backward trajectories, an increase of advection from the lower latitude Atlantic region towards Ny-Ålesund is found that is attributed to a change in atmospheric circulation patterns. We find that about one-quarter (0.45 K per decade) of the observed atmospheric winter near surface warming trend in the North Atlantic region of the Arctic (2 K per decade) is due to increased advection of warm and moist air from the lower latitude Atlantic region, affecting the entire troposphere. Y1 - 2017 U6 - https://doi.org/10.1155/2017/4928620 SN - 1687-9309 SN - 1687-9317 PB - Hindawi Publ. Corp. CY - New York ER - TY - JOUR A1 - Kiethe, Jan A1 - Heuer, Axel A1 - Jechow, Andreas T1 - Second-order coherence properties of amplified spontaneous emission from a high-power tapered superluminescent diode JF - Laser physics letters N2 - We study the degree of second-order coherence of the emission of a high-power multi-quantum well superluminescent diode with a lateral tapered amplifier section with and without optical feedback. When operated in an external cavity, the degree of second-order coherence changed from the almost thermal case of g((2))(0)approximate to 1.9 towards the mostly coherent case of g((2)) (0) approximate to 1.2 when the injection current at the tapered section was increased. We found good agreement with semi-classical laser theory near and below threshold while above laser threshold a slightly higher g((2))(0) was observed. As a free running device, the superluminescent diode yielded more than 400 mW of optical output power with good spatial beam quality of M-slow(2) < 1.6. In this case, the degree of second-order coherence dropped only slightly from 1.9 at low powers to 1.6 at the maximum output power. To our knowledge, this is the first investigation of a high-power tapered superluminescent diode concerning the degree of second-order coherence. Such a device might be useful for real-world applications probing the second order coherence function, such as ghost imaging. KW - photon statistics KW - incoherent light KW - superluminescent diodes Y1 - 2017 U6 - https://doi.org/10.1088/1612-202X/aa772c SN - 1612-2011 SN - 1612-202X VL - 14 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Park, Jaeheung A1 - Lühr, Hermann A1 - Kervalishvili, Guram A1 - Rauberg, Jan A1 - Stolle, Claudia A1 - Kwak, Young-Sil A1 - Lee, Woo Kyoung T1 - Morphology of high-latitude plasma density perturbations as deduced from the total electron content measurements onboard the Swarm constellation JF - Journal of geophysical research : A, Space physics N2 - In this study, we investigate the climatology of high-latitude total electron content (TEC) variations as observed by the dual-frequency Global Navigation Satellite Systems (GNSS) receivers onboard the Swarm satellite constellation. The distribution of TEC perturbations as a function of geographic/magnetic coordinates and seasons reasonably agrees with that of the Challenging Minisatellite Payload observations published earlier. Categorizing the high-latitude TEC perturbations according to line-of-sight directions between Swarm and GNSS satellites, we can deduce their morphology with respect to the geomagnetic field lines. In the Northern Hemisphere, the perturbation shapes are mostly aligned with the L shell surface, and this anisotropy is strongest in the nightside auroral (substorm) and subauroral regions and weakest in the central polar cap. The results are consistent with the well-known two-cell plasma convection pattern of the high-latitude ionosphere, which is approximately aligned with L shells at auroral regions and crossing different L shells for a significant part of the polar cap. In the Southern Hemisphere, the perturbation structures exhibit noticeable misalignment to the local L shells. Here the direction toward the Sun has an additional influence on the plasma structure, which we attribute to photoionization effects. The larger offset between geographic and geomagnetic poles in the south than in the north is responsible for the hemispheric difference. Y1 - 2017 U6 - https://doi.org/10.1002/2016JA023086 SN - 2169-9380 SN - 2169-9402 VL - 122 IS - 1 SP - 1338 EP - 1359 PB - American Geophysical Union CY - Washington ER - TY - JOUR A1 - Niebuhr, Mario A1 - Heuer, Axel T1 - Phase measurement and far-field reconstruction on externally coupled laser diode arrays JF - Optics express N2 - Passive coherent combination of several discrete low power laser diodes is a promising way to overcome the issue of degrading beam quality when scaling single emitters to > 10W output power. Such systems would be an efficient alternative to current high power sources, yet they suffer from fatal coherence loss when operated well above threshold. We present a new way to obtain detailed coherence information for laser diode arrays using a spatial light modulator to help identify the underlying decoherence processes. Reconstruction tests of the emitted far-field distribution are conducted to evaluate the performance of our setup. Y1 - 2017 U6 - https://doi.org/10.1364/OE.25.014317 SN - 1094-4087 VL - 25 IS - 13 SP - 14317 EP - 14322 PB - Optical Society of America CY - Washington, DC ER - TY - JOUR A1 - Buschhüter, David A1 - Spoden, Christian A1 - Borowski, Andreas T1 - Physics knowledge of first semester physics students in Germany BT - a comparison of 1978 and 2013 cohorts JF - International journal of science education N2 - Over the last decades, the percentage of the age group choosing to pursue university studies has increased significantly across the world. At the same time, there are university teachers who believe that the standards have fallen. There is little research on whether students nowadays demonstrate knowledge or abilities similar to that of the preceding cohorts. However, in times of educational expansion, empirical evidence on student test performance is extremely helpful in evaluating how well educational systems cope with the increasing numbers of students. In this study, we compared a sample of 2322 physics freshmen from 2013 with another sample of 2718 physics freshmen from 1978 at universities in Germany with regard to their physics knowledge based on their results in the same entrance test. Previous results on mathematics knowledge and abilities in the same sample of students indicated that there was no severe decline in their average achievement. This paper compares the physics knowledge of the same two samples of students. Contrary to their mathematics results, their physics results showed a substantial decrease in physics knowledge as measured by the test. KW - University physics KW - entrance test KW - generational comparison Y1 - 2017 U6 - https://doi.org/10.1080/09500693.2017.1318457 SN - 0950-0693 SN - 1464-5289 VL - 39 IS - 9 SP - 1109 EP - 1132 PB - Routledge, Taylor & Francis Group CY - Abingdon ER - TY - JOUR A1 - Nadammal, Naresh A1 - Cabeza, Sandra A1 - Mishurova, Tatiana A1 - Thiede, Tobias A1 - Kromm, Arne A1 - Seyfert, Christoph A1 - Farahbod, Lena A1 - Haberland, Christoph A1 - Schneider, Judith Ann A1 - Portella, Pedro Dolabella A1 - Bruno, Giovanni T1 - Effect of hatch length on the development of microstructure, texture and residual stresses in selective laser melted superalloy Inconel 718 JF - Materials & Design N2 - In the present study, samples fabricated by varying the deposition hatch length during selective laser melting of nickel based superalloy Inconel 718 were investigated. Microstructure and texture of these samples was characterized using scanning electron microscopy, combined with electron back-scattered diffraction, and residual stress assessment, using neutron diffraction method. Textured columnar grains oriented along the sample building direction were observed in the shorter hatch length processed sample. A ten-fold increase in the hatch length reduced the texture intensity by a factor of two attributed to the formation of finer grains in the longer hatch length sample. Larger gradients of transverse residual stress in the longer hatch length sample were also observed. Along the build direction, compressive stresses in the shorter hatch length and negligible stresses for the longer hatch length specimen were observed. Changes to the temperature gradient (G) in response to the hatch length variation, influenced the G to growth rate (R) ratio and the product GxR, in agreement with the microstructures and textures formed. For the residual stress development, geometry of the part also played an important role. In summary, tailored isotropy could be induced in Inconel 718 by a careful selection of parameters during selective laser melting. KW - Additive manufacturing KW - Nickel-based superalloy KW - Microstructure and texture KW - Residual stress KW - Electron back-scattered diffraction KW - Neutron diffraction Y1 - 2017 U6 - https://doi.org/10.1016/j.matdes.2017.08.049 SN - 0264-1275 SN - 1873-4197 VL - 134 SP - 139 EP - 150 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Müller, B. R. A1 - Cooper, R. C. A1 - Lange, A. A1 - Kupsch, Andreas A1 - Wheeler, M. A1 - Hentschel, M. P. A1 - Staude, A. A1 - Pandey, A. A1 - Shyam, A. A1 - Bruno, Giovanni T1 - Stress-induced microcrack density evolution in beta-eucryptite ceramics BT - experimental observations and possible route to strain hardening JF - Acta materialia N2 - In order to investigate their microcracking behaviour, the microstructures of several beta-eucryptite ceramics, obtained from glass precursor and cerammed to yield different grain sizes and microcrack densities, were characterized by laboratory and synchrotron x-ray refraction and tomography. Results were compared with those obtained from scanning electron microscopy (SEM). In SEM images, the characterized materials appeared fully dense but computed tomography showed the presence of pore clusters. Uniaxial tensile testing was performed on specimens while strain maps were recorded and analyzed by Digital Image Correlation (DIC). X-ray refraction techniques were applied on specimens before and after tensile testing to measure the amount of the internal specific surface (i.e., area per unit volume). X-ray refraction revealed that (a) the small grain size (SGS) material contained a large specific surface, originating from the grain boundaries and the interfaces of TiO2 precipitates; (b) the medium (MGS) and large grain size (LGS) materials possessed higher amounts of specific surface compared to SGS material due to microcracks, which decreased after tensile loading; (c) the precursor glass had negligible internal surface. The unexpected decrease in the internal surface of MGS and LGS after tensile testing is explained by the presence of compressive regions in the DIC strain maps and further by theoretical arguments. It is suggested that while some microcracks merge via propagation, more close mechanically, thereby explaining the observed X-ray refraction results. The mechanisms proposed would allow the development of a strain hardening route in ceramics. KW - Beta-eucryptite KW - Microcracked ceramics KW - X-ray refraction KW - Tensile load KW - Strain hardening Y1 - 2017 U6 - https://doi.org/10.1016/j.actamat.2017.10.030 SN - 1359-6454 SN - 1873-2453 VL - 144 SP - 627 EP - 641 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Cooper, Ryan C. A1 - Bruno, Giovanni A1 - Wheeler, M. R. A1 - Pandey, A. A1 - Watkins, T. R. A1 - Shyarn, A. T1 - Effect of microcracking on the uniaxial tensile response of beta-eucryptite ceramics BT - Experiments and constitutive model JF - Acta Materialia N2 - A constitutive model for the nonlinear or "pseudoplastic" mechanical behavior in a linear-elastic solid with thermally induced microcracks is developed and applied to experimental results. The model is termed strain dependent microcrack density approximation (SDMDA) and is an extension of the modified differential scheme that describes the slope of the stress-strain curves of microcracked solids. SDMDA allows a continuous variation in the microcrack density with tensile loading. Experimental uniaxial tensile response of beta-eucryptite glass and ceramics with controlled levels of microcracking is reported. It is demonstrated that SDMDA can well describe the extent of non-linearity in the experimental uniaxial tensile response of beta-eucryptite with varying levels of microcracking. The advantages of the SDMDA are discussed in regard to tensile loading. KW - behavior Y1 - 2017 U6 - https://doi.org/10.1016/j.actamat.2017.06.033 SN - 1359-6454 SN - 1873-2453 VL - 135 SP - 361 EP - 371 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Waldrip, S. H. A1 - Niven, Robert K. A1 - Abel, Markus A1 - Schlegel, M. T1 - Reduced-Parameter Method for Maximum Entropy Analysis of Hydraulic Pipe Flow Networks JF - Journal of hydraulic engineering N2 - A maximum entropy (MaxEnt) method is developed to predict flow rates or pressure gradients in hydraulic pipe networks without sufficient information to give a closed-form (deterministic) solution. This methodology substantially extends existing deterministic flow network analysis methods. It builds on the MaxEnt framework previously developed by the authors. This study uses a continuous relative entropy defined on a reduced parameter set, here based on the external flow rates. This formulation ensures consistency between different representations of the same network. The relative entropy is maximized subject to observable constraints on the mean values of a subset of flow rates or potential differences, the frictional properties of each pipe, and physical constraints arising from Kirchhoff’s first and second laws. The new method is demonstrated by application to a simple one-loop network and a 1,123-node, 1,140-pipe water distribution network in the suburb of Torrens, Australian Capital Territory, Australia. KW - Maximum entropy method KW - Water distribution systems KW - Hydraulic networks KW - Pipe networks KW - Hydraulic models KW - Nonlinear analysis KW - Probability Y1 - 2017 U6 - https://doi.org/10.1061/(ASCE)HY.1943-7900.0001379 SN - 0733-9429 SN - 1943-7900 VL - 144 IS - 2 PB - American Society of Civil Engineers CY - Reston ER - TY - JOUR A1 - Juaristi, J. I. A1 - Alducin, Maite A1 - Saalfrank, Peter T1 - Femtosecond laser induced desorption of H-2, D-2, and HD from Ru(0001) BT - dynamical promotion and suppression studied with ab initio molecular dynamics with electronic friction JF - Physical review : B, Condensed matter and materials physics N2 - We perform ab initio molecular dynamics simulations to study the femtosecond laser induced desorption of H-2, D-2, and HD from a H: D-saturated Ru(0001) surface. To this aim we have extended the ab initio molecular dynamics with electronic friction (AIMDEF) scheme to include a random force that is a function of a timedependent electronic temperature. The latter characterizes the action of the ultrashort laser pulse according to a two temperature model. This allows us to perform multidimensional, hot-electron driven reaction dynamics and investigate the dependence of the desorption yields on the relative H: D isotope concentration on the surface. Our AIMDEF simulations show that the desorption process takes place in the presence of a heated adsorbate system that clearly influences the desorption dynamics. The heating of the adsorbate system is more (less) pronounced the larger is the concentration of the lighter (heavier) isotope. As a result, we conclude that the presence of H on the surface favors the desorption of molecules, whereas the presence of D hampers it, in agreement with previous experimental observations in which the phenomenon of "dynamical promotion" of a surface reaction had been postulated. Y1 - 2017 U6 - https://doi.org/10.1103/PhysRevB.95.125439 SN - 2469-9950 SN - 2469-9969 VL - 95 IS - 12 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Henkel, Carsten T1 - Nanoscale Thermal Transfer BT - an Invitation to Fluctuation Electrodynamics JF - Zeitschrift für Naturforschung A N2 - An electromagnetic theory of thermal radiation is outlined, based on the fluctuation electrodynamics of Rytov and co-workers. We discuss the basic concepts and the status of different approximations. The physical content is illustrated with a few examples on near-field heat transfer. KW - Heat Transfer KW - Near-Field Optics KW - Thermal Radiation Y1 - 2017 U6 - https://doi.org/10.1515/zna-2016-0372 SN - 0932-0784 SN - 1865-7109 VL - 72 IS - 2 SP - 99 EP - 108 PB - De Gruyter CY - Berlin ER - TY - JOUR A1 - Herrmann, Carl J. J. A1 - Metzler, Ralf T1 - A self-avoiding walk with neural delays as a model of fixational eye movements JF - Scientific reports N2 - Fixational eye movements show scaling behaviour of the positional mean-squared displacement with a characteristic transition from persistence to antipersistence for increasing time-lag. These statistical patterns were found to be mainly shaped by microsaccades (fast, small-amplitude movements). However, our re-analysis of fixational eye-movement data provides evidence that the slow component (physiological drift) of the eyes exhibits scaling behaviour of the mean-squared displacement that varies across human participants. These results suggest that drift is a correlated movement that interacts with microsaccades. Moreover, on the long time scale, the mean-squared displacement of the drift shows oscillations, which is also present in the displacement auto-correlation function. This finding lends support to the presence of time-delayed feedback in the control of drift movements. Based on an earlier non-linear delayed feedback model of fixational eye movements, we propose and discuss different versions of a new model that combines a self-avoiding walk with time delay. As a result, we identify a model that reproduces oscillatory correlation functions, the transition from persistence to antipersistence, and microsaccades. Y1 - 2017 U6 - https://doi.org/10.1038/s41598-017-13489-8 SN - 2045-2322 VL - 7 SP - 1 EP - 17 PB - Springer Nature CY - London ER - TY - JOUR A1 - Menzel, Ralf A1 - Puhlmann, Dirk A1 - Heuer, Axel T1 - Complementarity in single photon interference – the role of the mode function and vacuum fields JF - Journal of the European Optical Society-Rapid N2 - Background In earlier experiments the role of the vacuum fields could be demonstrated as the source of complementarity with respect to the temporal properties (Heuer et al., Phys. Rev. Lett. 114:053601, 2015). Methods Single photon first order interferences of spatially separated regions from the cone structure of spontaneous parametric down conversion allow for analyzing the role of the mode function in quantum optics regarding the complementarity principle. Results Here the spatial coherence properties of these vacuum fields are demonstrated as the physical reason for complementarity in these single photon quantum optical experiments. These results are directly connected to the mode picture in classical optics. Conclusion The properties of the involved vacuum fields selected via the measurement process are the physical background of the complementarity principle in quantum optics. KW - Quantum optics KW - Complementarity KW - Mode function KW - Vacuum fields Y1 - 2017 U6 - https://doi.org/10.1186/s41476-017-0036-x SN - 1990-2573 VL - 13 PB - Springer ER - TY - JOUR A1 - Cherstvy, Andrey G. A1 - Vinod, Deepak A1 - Aghion, Erez A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Time averaging, ageing and delay analysis of financial time series JF - New journal of physics N2 - We introduce three strategies for the analysis of financial time series based on time averaged observables. These comprise the time averaged mean squared displacement (MSD) as well as the ageing and delay time methods for varying fractions of the financial time series. We explore these concepts via statistical analysis of historic time series for several Dow Jones Industrial indices for the period from the 1960s to 2015. Remarkably, we discover a simple universal law for the delay time averaged MSD. The observed features of the financial time series dynamics agree well with our analytical results for the time averaged measurables for geometric Brownian motion, underlying the famed Black–Scholes–Merton model. The concepts we promote here are shown to be useful for financial data analysis and enable one to unveil new universal features of stock market dynamics. KW - time averaging KW - diffusion KW - geometric Brownian motion KW - financial time series Y1 - 2017 U6 - https://doi.org/10.1088/1367-2630/aa7199 SN - 1367-2630 VL - 19 SP - 1 EP - 11 PB - IOP CY - London ER - TY - JOUR A1 - Wolf, Thomas J. A. A1 - Holzmeier, Fabian A1 - Wagner, Isabella A1 - Berrah, Nora A1 - Bostedt, Christoph A1 - Bozek, John A1 - Bucksbaum, Philip H. A1 - Coffee, Ryan A1 - Cryan, James A1 - Farrell, Joe A1 - Feifel, Raimund A1 - Martinez, Todd J. A1 - McFarland, Brian A1 - Mucke, Melanie A1 - Nandi, Saikat A1 - Tarantelli, Francesco A1 - Fischer, Ingo A1 - Gühr, Markus T1 - Observing Femtosecond Fragmentation Using Ultrafast X-ray-Induced Auger Spectra JF - Applied Sciences N2 - Molecules often fragment after photoionization in the gas phase. Usually, this process can only be investigated spectroscopically as long as there exists electron correlation between the photofragments. Important parameters, like their kinetic energy after separation, cannot be investigated. We are reporting on a femtosecond time-resolved Auger electron spectroscopy study concerning the photofragmentation dynamics of thymine. We observe the appearance of clearly distinguishable signatures from thymine′s neutral photofragment isocyanic acid. Furthermore, we observe a time-dependent shift of its spectrum, which we can attribute to the influence of the charged fragment on the Auger electron. This allows us to map our time-dependent dataset onto the fragmentation coordinate. The time dependence of the shift supports efficient transformation of the excess energy gained from photoionization into kinetic energy of the fragments. Our method is broadly applicable to the investigation of photofragmentation processes. KW - ultrafast dynamics KW - Auger electron spectroscopy KW - photofragmentation KW - photochemistry Y1 - 2017 U6 - https://doi.org/10.3390/app7070681 SN - 2076-3417 VL - 7 IS - 7 PB - MDPI CY - Basel ER - TY - JOUR A1 - Schwarzl, Maria A1 - Godec, Aljaž A1 - Metzler, Ralf T1 - Quantifying non-ergodicity of anomalous diffusion with higher order moments JF - Scientific reports N2 - Anomalous diffusion is being discovered in a fast growing number of systems. The exact nature of this anomalous diffusion provides important information on the physical laws governing the studied system. One of the central properties analysed for finite particle motion time series is the intrinsic variability of the apparent diffusivity, typically quantified by the ergodicity breaking parameter EB. Here we demonstrate that frequently EB is insufficient to provide a meaningful measure for the observed variability of the data. Instead, important additional information is provided by the higher order moments entering by the skewness and kurtosis. We analyse these quantities for three popular anomalous diffusion models. In particular, we find that even for the Gaussian fractional Brownian motion a significant skewness in the results of physical measurements occurs and needs to be taken into account. Interestingly, the kurtosis and skewness may also provide sensitive estimates of the anomalous diffusion exponent underlying the data. We also derive a new result for the EB parameter of fractional Brownian motion valid for the whole range of the anomalous diffusion parameter. Our results are important for the analysis of anomalous diffusion but also provide new insights into the theory of anomalous stochastic processes. Y1 - 2017 U6 - https://doi.org/10.1038/s41598-017-03712-x VL - 7 PB - Macmillan Publishers Limited CY - London ER - TY - JOUR A1 - Zhang, Kai A1 - Chen, Zhiming A1 - Armin, Ardalan A1 - Dong, Sheng A1 - Xia, Ruoxi A1 - Yip, Hin-Lap A1 - Shoaee, Safa A1 - Huang, Fei A1 - Cao, Yong T1 - Efficient large area organic solar cells processed by blade-coating with single-component green solvent JF - Solar Rrl N2 - While the performance of laboratory-scale organic solar cells (OSCs) continues to grow, development of high efficiency large area OSCs remains a big challenge. Although a few attempts to produce large area organic solar cells (OSCs) have been reported, there are still challenges on the way to realizing efficient module devices, such as the low compatibility of the thickness-sensitive active layer with large area coating techniques, the frequent need for toxic solvents and tedious optimization processes used during device fabrication. In this work, highly efficient thickness-insensitive OSCs based on PTB7-Th:PC71BM that processed with single-component green solvent 2-methylanisole are presented, in which both junction thickness limitation and solvent toxicity issues are simultaneously addressed. Careful investigation reveals that this green solvent prevents the evolution of PC71BM into large area clusters resulting in reduced charge carrier recombination, and largely eliminates trapping centers, and thus improves the thickness tolerance of the films. These findings enable us to address the scalability and solvent toxicity issues and to fabricate a 16 cm(2) OSC with doctor-blade coating with a state-of-the-art power conversion efficiency of 7.5% using green solvent. KW - doctor-blade coating KW - green solvents KW - large area devices KW - organic solar cells KW - thickness insensitive active layers Y1 - 2017 U6 - https://doi.org/10.1002/solr.201700169 SN - 2367-198X VL - 2 IS - 1 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Sysoev, Ilya V. A1 - Ponomarenko, Vladimir I. A1 - Pikovskij, Arkadij T1 - Reconstruction of coupling architecture of neural field networks from vector time series JF - Communications in nonlinear science & numerical simulation N2 - We propose a method of reconstruction of the network coupling matrix for a basic voltage-model of the neural field dynamics. Assuming that the multivariate time series of observations from all nodes are available, we describe a technique to find coupling constants which is unbiased in the limit of long observations. Furthermore, the method is generalized for reconstruction of networks with time-delayed coupling, including the reconstruction of unknown time delays. The approach is compared with other recently proposed techniques. KW - Network reconstruction KW - Time series KW - Neurooscillators KW - Time delay Y1 - 2017 U6 - https://doi.org/10.1016/j.cnsns.2017.10.006 SN - 1007-5704 SN - 1878-7274 VL - 57 SP - 342 EP - 351 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Petereit, Johannes A1 - Pikovskij, Arkadij T1 - Chaos synchronization by nonlinear coupling JF - Communications in nonlinear science & numerical simulation N2 - We study synchronization properties of three nonlinearly coupled chaotic maps. Coupling is introduced in such a way, that it cannot be reduced to pairwise terms, but includes combined action of all interacting units. For two models of nonlinear coupling we characterize the transition to complete synchrony, as well as partially synchronized states. Relation to hypernetworks of chaotic units is also discussed. KW - Chaos synchronization KW - Partial synchrony KW - Intermittency KW - Hypernetwork Y1 - 2016 U6 - https://doi.org/10.1016/j.cnsns.2016.09.002 SN - 1007-5704 SN - 1878-7274 VL - 44 SP - 344 EP - 351 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Zaks, Michael A. A1 - Pikovskij, Arkadij T1 - Chimeras and complex cluster states in arrays of spin-torque oscillators JF - Scientific reports N2 - We consider synchronization properties of arrays of spin-torque nano-oscillators coupled via an RC load. We show that while the fully synchronized state of identical oscillators may be locally stable in some parameter range, this synchrony is not globally attracting. Instead, regimes of different levels of compositional complexity are observed. These include chimera states (a part of the array forms a cluster while other units are desynchronized), clustered chimeras (several clusters plus desynchronized oscillators), cluster state (all oscillators form several clusters), and partial synchronization (no clusters but a nonvanishing mean field). Dynamically, these states are also complex, demonstrating irregular and close to quasiperiodic modulation. Remarkably, when heterogeneity of spin-torque oscillators is taken into account, dynamical complexity even increases: close to the onset of a macroscopic mean field, the dynamics of this field is rather irregular. Y1 - 2017 U6 - https://doi.org/10.1038/s41598-017-04918-9 SN - 2045-2322 VL - 7 PB - Macmillan Publishers Limited CY - London ER - TY - JOUR A1 - Popovych, Oleksandr V. A1 - Lysyansky, Borys A1 - Rosenblum, Michael A1 - Pikovskij, Arkadij A1 - Tass, Peter A. T1 - Pulsatile desynchronizing delayed feedback for closed-loop deep brain stimulation JF - PLoS one N2 - High-frequency (HF) deep brain stimulation (DBS) is the gold standard for the treatment of medically refractory movement disorders like Parkinson’s disease, essential tremor, and dystonia, with a significant potential for application to other neurological diseases. The standard setup of HF DBS utilizes an open-loop stimulation protocol, where a permanent HF electrical pulse train is administered to the brain target areas irrespectively of the ongoing neuronal dynamics. Recent experimental and clinical studies demonstrate that a closed-loop, adaptive DBS might be superior to the open-loop setup. We here combine the notion of the adaptive high-frequency stimulation approach, that aims at delivering stimulation adapted to the extent of appropriately detected biomarkers, with specifically desynchronizing stimulation protocols. To this end, we extend the delayed feedback stimulation methods, which are intrinsically closed-loop techniques and specifically designed to desynchronize abnormal neuronal synchronization, to pulsatile electrical brain stimulation. We show that permanent pulsatile high-frequency stimulation subjected to an amplitude modulation by linear or nonlinear delayed feedback methods can effectively and robustly desynchronize a STN-GPe network of model neurons and suggest this approach for desynchronizing closed-loop DBS. Y1 - 2017 U6 - https://doi.org/10.1371/journal.pone.0173363 SN - 1932-6203 VL - 12 PB - PLoS CY - San Fransisco ER - TY - JOUR A1 - Bouakline, Foudhil A1 - Lorenz, Ulrich J. A1 - Melani, Giacomo A1 - Paramonov, Guennaddi K. A1 - Saalfrank, Peter T1 - Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface JF - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr N2 - In a recent paper [U. Lorenz and P. Saalfrank, Chem. Phys. 482, 69 (2017)], we proposed a robust scheme to set up a system-bath model Hamiltonian, describing the coupling of adsorbate vibrations (system) to surface phonons (bath), from first principles. The method is based on an embedded cluster approach, using orthogonal coordinates for system and bath modes, and an anharmonic phononic expansion of the system-bath interaction up to second order. In this contribution, we use this model Hamiltonian to calculate vibrational relaxation rates of H–Si and D–Si bending modes, coupled to a fully H(D)-covered Si(100)-(2×1) surface, at zero temperature. The D–Si bending mode has an anharmonic frequency lying inside the bath frequency spectrum, whereas the H–Si bending mode frequency is outside the bath Debye band. Therefore, in the present calculations, we only take into account one-phonon system-bath couplings for the D–Si system and both one- and two-phonon interaction terms in the case of H–Si. The computation of vibrational lifetimes is performed with two different approaches, namely, Fermi’s golden rule, and a generalized Bixon-Jortner model built in a restricted vibrational space of the adsorbate-surface zeroth-order Hamiltonian. For D–Si, the Bixon-Jortner Hamiltonian can be solved by exact diagonalization, serving as a benchmark, whereas for H–Si, an iterative scheme based on the recursive residue generation method is applied, with excellent convergence properties. We found that the lifetimes obtained with perturbation theory, albeit having almost the same order of magnitude—a few hundred fs for D–Si and a couple of ps for H–Si—, are strongly dependent on the discretized numerical representation of the bath spectral density. On the other hand, the Bixon-Jortner model is free of such numerical deficiencies, therefore providing better estimates of vibrational relaxation rates, at a very low computational cost. The results obtained with this model clearly show a net exponential decay of the time-dependent survival probability for the H–Si initial vibrational state, allowing an easy extraction of the bending mode “lifetime.” This is in contrast with the D–Si system, whose survival probability exhibits a non-monotonic decay, making it difficult to define such a lifetime. This different behavior of the vibrational decay is rationalized in terms of the power spectrum of the adsorbate-surface system. In the case of D–Si, it consists of several, non-uniformly distributed peaks around the bending mode frequency, whereas the H–Si spectrum exhibits a single Lorentzian lineshape, whose width corresponds to the calculated lifetime. The present work gives some insight into mechanisms of vibration-phonon coupling at surfaces. It also serves as a benchmark for multidimensional system-bath quantum dynamics, for comparison with approximate schemes such as reduced, open-system density matrix theory (where the bath is traced out and a Liouville-von Neumann equation is solved) or approximate wavefunction methods to solve the combined system-bath Schrödinger equation. Y1 - 2017 U6 - https://doi.org/10.1063/1.4994635 SN - 0021-9606 SN - 1089-7690 VL - 147 IS - 14 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - Effects of the target aspect ratio and intrinsic reactivity onto diffusive search in bounded domains JF - New journal of physics N2 - Westudy the mean first passage time (MFPT) to a reaction event on a specific site in a cylindrical geometry—characteristic, for instance, for bacterial cells, with a concentric inner cylinder representing the nuclear region of the bacterial cell. Asimilar problem emerges in the description of a diffusive search by a transcription factor protein for a specific binding region on a single strand of DNA.We develop a unified theoretical approach to study the underlying boundary value problem which is based on a self-consistent approximation of the mixed boundary condition. Our approach permits us to derive explicit, novel, closed-form expressions for the MFPT valid for a generic setting with an arbitrary relation between the system parameters.Weanalyse this general result in the asymptotic limits appropriate for the above-mentioned biophysical problems. Our investigation reveals the crucial role of the target aspect ratio and of the intrinsic reactivity of the binding region, which were disregarded in previous studies. Theoretical predictions are confirmed by numerical simulations. KW - first passage time KW - cylindrical geometry KW - aspect ratio KW - protein search Y1 - 2017 U6 - https://doi.org/10.1088/1367-2630/aa8ed9 SN - 1367-2630 VL - 19 SP - 1 EP - 11 PB - IOP CY - London ER - TY - JOUR A1 - Garakani, Tayebeh Mirzaei A1 - Richter, Marina Juliane A1 - Böker, Alexander T1 - Controlling the bio-inspired synthesis of silica JF - Journal of colloid and interface science N2 - The influence of different parameters on the silicification procedure using lysozyme is reported. When polyethoxysiloxane (PEOS), an internally crosslinked silica reservoir, is used, regular structures with a narrow size distribution could be obtained only via introducing the silica precursor in two steps including initial dropping and subsequent addition of residual oil phase in one portion. We found that mixing sequence of mineralizing agents in the presence of a positively charged surfactant plays a key role in terms of silica precipitation when tetraethoxyorthosilicate (TEOS) is the oil phase. In contrast, well mineralized crumpled features with high specific surface area could be synthesized in the presence of PEOS as a silica precursor polymer, regardless of mixing sequence. Moreover, introducing sodium dodecyl sulfate (SDS) as a negatively charged surfactant resulted in regular silica sphere formation only in combination with hexylene glycol (MPD) as a specific co-solvent. Finally, it is demonstrated that by inclusion of different nanoparticles even more sophisticated hybrid materials can be generated. KW - Silicification KW - Lysozyme KW - Polyetlioxysiloxane KW - High specific surface area KW - Surfactant KW - Nanoparticles KW - Hybrid materials Y1 - 2016 U6 - https://doi.org/10.1016/j.jcis.2016.10.069 SN - 0021-9797 SN - 1095-7103 VL - 488 SP - 322 EP - 334 PB - Elsevier CY - San Diego ER - TY - JOUR A1 - Dzhanoev, Arsen R. A1 - Sokolov, Igor M. T1 - The effect of the junction model on the anomalous diffusion in the 3D comb structure JF - Chaos, solitons & fractals : applications in science and engineering ; an interdisciplinary journal of nonlinear science N2 - The diffusion in the comb structures is a popular model of geometrically induced anomalous diffusion. In the present work we concentrate on the diffusion along the backbone in a system where sidebranches are planes, and the diffusion thereon is anomalous and described by continuous time random walks (CTRW). We show that the mean squared displacement (MSD) in the backbone of the comb behaves differently depending on whether the waiting time periods in the sidebranches are reset after the step in the backbone is done (a rejuvenating junction model), or not (a non-rejuvenating junction model). In the rejuvenating case the subdiffusion in the sidebranches only changes the prefactor in the ultra-slow (logarithmic) diffusion along the backbone, while in the non-rejuvenating case the ultraslow, logarithmic subdiffusion is changed to a much faster power-law subdiffusion (with a logarithmic correction) as it was found earlier by Iomin and Mendez [25]. Moreover, in the first case the result does not change if the diffusion in the backbone is itself anomalous, while in the second case it does. Two of the special cases of the considered models (the non-rejuvenating junction under normal diffusion in the backbone, and rejuvenating junction for the same waiting time distribution in the sidebranches and in junction points) were also investigated within the approach based on the corresponding generalized Fokker-Planck equations. (c) 2017 Elsevier Ltd. All rights reserved. KW - Comb model KW - Comb-lattice model KW - Cylindrical comb KW - Junction model KW - Anomalous diffusion Y1 - 2017 U6 - https://doi.org/10.1016/j.chaos.2017.12.001 SN - 0960-0779 SN - 1873-2887 VL - 106 SP - 330 EP - 336 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Fang, Peng A1 - Ma, Xingchen A1 - Li, Xiangxin A1 - Qiu, Xunlin A1 - Gerhard, Reimund A1 - Zhang, Xiaoqing A1 - Li, Guanglin T1 - Fabrication, Structure Characterization, and Performance Testing of Piezoelectret-Film Sensors for Recording Body Motion JF - IEEE Sensors Journal N2 - During muscle contractions, radial-force distributions are generated on muscle surfaces due to muscle-volume changes, from which the corresponding body motions can be recorded by means of so-called force myography (FMG). Piezo- or ferroelectrets are flexible piezoelectric materials with attractive materials and sensing properties. In addition to several other applications, they are suitable for detecting force variations by means of wearable devices. In this paper, we prepared piezoelectrets from cellular polypropylene films by optimizing the fabrication procedures, and developed an FMG-recording system based on piezoelectret sensors. Different hand and wrist movements were successfully detected on able-bodied subjects with the FMG system. The FMG patterns were evaluated and identified by means of linear discriminant analysis and artificial neural network algorithms, and average motion-classification accuracies of 96.1% and 94.8%, respectively, were obtained. This paper demonstrates the feasibility of using piezoelectret-film sensors for FMG and may thus lead to alternative methods for detecting body motion and to related applications, e.g., in biomedical engineering or structural-health monitoring. KW - Forcemyography KW - motion registration KW - piezoelectret KW - film sensor KW - wearable Y1 - 2017 U6 - https://doi.org/10.1109/JSEN.2017.2766663 SN - 1530-437X SN - 1558-1748 VL - 18 IS - 1 SP - 401 EP - 412 PB - Inst. of Electr. and Electronics Engineers CY - Piscataway ER - TY - JOUR A1 - Couto, Rafael C. A1 - Cruz, Vinicius V. A1 - Ertan, Emelie A1 - Eckert, Sebastian A1 - Fondell, Mattis A1 - Dantz, Marcus A1 - Kennedy, Brian A1 - Schmitt, Thorsten A1 - Pietzsch, Annette A1 - Guimaraes, Freddy F. A1 - Agren, Hans A1 - Odelius, Michael A1 - Kimberg, Victor A1 - Föhlisch, Alexander T1 - Selective gating to vibrational modes through resonant X-ray scattering JF - Nature Communications N2 - The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations. Y1 - 2017 U6 - https://doi.org/10.1038/ncomms14165 SN - 2041-1723 VL - 8 PB - Nature Publ. Group CY - London ER - TY - JOUR A1 - Schimka, Selina A1 - Lomadze, Nino A1 - Rabe, Maren A1 - Kopyshev, Alexey A1 - Lehmann, Maren A1 - von Klitzing, Regine A1 - Rumyantsev, Artem M. A1 - Kramarenko, Elena Yu. A1 - Santer, Svetlana T1 - Photosensitive microgels containing azobenzene surfactants of different charges JF - Physical chemistry, chemical physics : a journal of European Chemical Societies N2 - We report on light sensitive microgel particles that can change their volume reversibly in response to illumination with light of different wavelengths. To make the anionic microgels photosensitive we add surfactants with a positively charged polyamine head group and an azobenzene containing tail. Upon illumination, azobenzene undergoes a reversible photo-isomerization reaction from a trans- to a cis-state accompanied by a change in the hydrophobicity of the surfactant. Depending on the isomerization state, the surfactant molecules are either accommodated within the microgel (trans- state) resulting in its shrinkage or desorbed back into water (cis-isomer) letting the microgel swell. We have studied three surfactants differing in the number of amino groups, so that the number of charges of the surfactant head varies between 1 and 3. We have found experimentally and theoretically that the surfactant concentration needed for microgel compaction increases with decreasing number of charges of the head group. Utilization of polyamine azobenzene containing surfactants for the light triggered remote control of the microgel size opens up a possibility for applications of light responsive microgels as drug carriers in biology and medicine. Y1 - 2016 U6 - https://doi.org/10.1039/c6cp04555c SN - 1463-9076 SN - 1463-9084 VL - 19 SP - 108 EP - 117 PB - Royal Society of Chemistry CY - Cambridge ER -