@article{YangVardenyKoehleretal.2004, author = {Yang, C. and Vardeny, Z. V. and K{\"o}hler, Anna and Wohlgenannt, M. and Al-Suti, Mohammed K. and Khan, Muhammad S.}, title = {Spectroscopic study of spin-dependent exciton formation rates in pi-conjugated semiconductors : Comparison with electroluminescence techniques}, year = {2004}, abstract = {It has been found in recent measurements that the singlet-to-triplet exciton ratio in organic light-emitting diodes (OLEDs) is larger than expected from spin degeneracy, and that singlet excitons form at a larger rate than triplets. We employed the technique of optically detected magnetic resonance to measure the spin-dependent exciton formation rates in films of a polymer and corresponding monomer, and explore the relation between the formation rates and the actual singlet-to-triplet ratio measured previously in OLEDs. We found that the spin-dependent exciton formation rates can indeed quantitatively explain the observed exciton yields, and that singlet formation rates and yields are significantly enhanced only in polymer OLEDs, but not in OLEDs made from the corresponding monomer}, language = {en} } @article{YangEisert2009, author = {Yang, Dong and Eisert, Jens}, title = {Entanglement combing}, issn = {0031-9007}, doi = {10.1103/Physrevlett.103.220501}, year = {2009}, abstract = {We show that all multipartite pure states can, under local operations, be transformed into bipartite pairwise entangled states in a "lossless fashion": An arbitrary distinguished party will keep pairwise entanglement with all other parties after the asymptotic protocol-decorrelating all other parties from each other-in a way that the degree of entanglement of this party with respect to the rest will remain entirely unchanged. The set of possible entanglement distributions of bipartite pairs is also classified. Finally, we point out several applications of this protocol as a useful primitive in quantum information theory.}, language = {en} } @article{YangGuehrShenetal.2016, author = {Yang, Jie and Guehr, Markus and Shen, Xiaozhe and Li, Renkai and Vecchione, Theodore and Coffee, Ryan and Corbett, Jeff and Fry, Alan and Hartmann, Nick and Hast, Carsten and Hegazy, Kareem and Jobe, Keith and Makasyuk, Igor and Robinson, Joseph and Robinson, Matthew Scott and Vetter, Sharon and Weathersby, Stephen and Yoneda, Charles and Wang, Xijie and Centurion, Martin}, title = {Diffractive Imaging of Coherent Nuclear Motion in Isolated Molecules}, series = {Physical review letters}, volume = {117}, journal = {Physical review letters}, publisher = {American Physical Society}, address = {College Park}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.117.153002}, pages = {6}, year = {2016}, abstract = {Observing the motion of the nuclear wave packets during a molecular reaction, in both space and time, is crucial for understanding and controlling the outcome of photoinduced chemical reactions. We have imaged the motion of a vibrational wave packet in isolated iodine molecules using ultrafast electron diffraction with relativistic electrons. The time-varying interatomic distance was measured with a precision 0.07 angstrom and temporal resolution of 230 fs full width at half maximum. The method is not only sensitive to the position but also the shape of the nuclear wave packet.}, language = {en} } @article{YangGuehrVecchioneetal.2016, author = {Yang, Jie and G{\"u}hr, Markus and Vecchione, Theodore and Robinson, Matthew Scott and Li, Renkai and Hartmann, Nick and Shen, Xiaozhe and Coffee, Ryan and Corbett, Jeff and Fry, Alan and Gaffney, Kelly and Gorkhover, Tais and Hast, Carsten and Jobe, Keith and Makasyuk, Igor and Reid, Alexander and Robinson, Joseph and Vetter, Sharon and Wang, Fenglin and Weathersby, Stephen and Yoneda, Charles and Centurion, Martin and Wang, Xijie}, title = {Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses}, series = {Nature Communications}, volume = {7}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/ncomms11232}, pages = {9}, year = {2016}, abstract = {Imaging changes in molecular geometries on their natural femtosecond timescale with sub-Angstrom spatial precision is one of the critical challenges in the chemical sciences, as the nuclear geometry changes determine the molecular reactivity. For photoexcited molecules, the nuclear dynamics determine the photoenergy conversion path and efficiency. Here we report a gas-phase electron diffraction experiment using megaelectronvolt (MeV) electrons, where we captured the rotational wavepacket dynamics of nonadiabatically laser-aligned nitrogen molecules. We achieved a combination of 100 fs root-mean-squared temporal resolution and sub-Angstrom (0.76 angstrom) spatial resolution that makes it possible to resolve the position of the nuclei within the molecule. In addition, the diffraction patterns reveal the angular distribution of the molecules, which changes from prolate (aligned) to oblate (anti-aligned) in 300 fs. Our results demonstrate a significant and promising step towards making atomically resolved movies of molecular reactions.}, language = {en} } @article{YangGuehrVecchioneetal.2016, author = {Yang, Jie and G{\"u}hr, Markus and Vecchione, Theodore and Robinson, Matthew Scott and Li, Renkai and Hartmann, Nick and Shen, Xiaozhe and Coffee, Ryan and Corbett, Jeff and Fry, Alan and Gaffney, Kelly and Gorkhover, Tais and Hast, Carsten and Jobe, Keith and Makasyuk, Igor and Reid, Alexander and Robinson, Joseph and Vetter, Sharon and Wang, Fenglin and Weathersby, Stephen and Yoneda, Charles and Wang, Xijie and Centurion, Martin}, title = {Femtosecond gas phase electron diffraction with MeV electrons}, series = {Faraday discussions}, volume = {194}, journal = {Faraday discussions}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1359-6640}, doi = {10.1039/c6fd00071a}, pages = {563 -- 581}, year = {2016}, abstract = {We present results on ultrafast gas electron diffraction (UGED) experiments with femtosecond resolution using the MeV electron gun at SLAC National Accelerator Laboratory. UGED is a promising method to investigate molecular dynamics in the gas phase because electron pulses can probe the structure with a high spatial resolution. Until recently, however, it was not possible for UGED to reach the relevant timescale for the motion of the nuclei during a molecular reaction. Using MeV electron pulses has allowed us to overcome the main challenges in reaching femtosecond resolution, namely delivering short electron pulses on a gas target, overcoming the effect of velocity mismatch between pump laser pulses and the probe electron pulses, and maintaining a low timing jitter. At electron kinetic energies above 3 MeV, the velocity mismatch between laser and electron pulses becomes negligible. The relativistic electrons are also less susceptible to temporal broadening due to the Coulomb force. One of the challenges of diffraction with relativistic electrons is that the small de Broglie wavelength results in very small diffraction angles. In this paper we describe the new setup and its characterization, including capturing static diffraction patterns of molecules in the gas phase, finding time-zero with sub-picosecond accuracy and first time-resolved diffraction experiments. The new device can achieve a temporal resolution of 100 fs root-mean-square, and sub-angstrom spatial resolution. The collimation of the beam is sufficient to measure the diffraction pattern, and the transverse coherence is on the order of 2 nm. Currently, the temporal resolution is limited both by the pulse duration of the electron pulse on target and by the timing jitter, while the spatial resolution is limited by the average electron beam current and the signal-to-noise ratio of the detection system. We also discuss plans for improving both the temporal resolution and the spatial resolution.}, language = {en} } @article{YangZhuWolfetal.2018, author = {Yang, Jie and Zhu, Xiaolei and Wolf, Thomas J. A. and Li, Zheng and Nunes, Jo{\~a}o Pedro Figueira and Coffee, Ryan and Cryan, James P. and G{\"u}hr, Markus and Hegazy, Kareem and Heinz, Tony F. and Jobe, Keith and Li, Renkai and Shen, Xiaozhe and Veccione, Theodore and Weathersby, Stephen and Wilkin, Kyle J. and Yoneda, Charles and Zheng, Qiang and Martinez, Todd J. and Centurion, Martin and Wang, Xijie}, title = {Imaging CF3I conical intersection and photodissociation dynamics with ultrafast electron diffraction}, series = {Science}, volume = {361}, journal = {Science}, number = {6397}, publisher = {American Assoc. for the Advancement of Science}, address = {Washington}, issn = {0036-8075}, doi = {10.1126/science.aat0049}, pages = {64 -- 67}, year = {2018}, abstract = {Conical intersections play a critical role in excited-state dynamics of polyatomic molecules because they govern the reaction pathways of many nonadiabatic processes. However, ultrafast probes have lacked sufficient spatial resolution to image wave-packet trajectories through these intersections directly. Here, we present the simultaneous experimental characterization of one-photon and two-photon excitation channels in isolated CF3I molecules using ultrafast gas-phase electron diffraction. In the two-photon channel, we have mapped out the real-space trajectories of a coherent nuclear wave packet, which bifurcates onto two potential energy surfaces when passing through a conical intersection. In the one-photon channel, we have resolved excitation of both the umbrella and the breathing vibrational modes in the CF3 fragment in multiple nuclear dimensions. These findings benchmark and validate ab initio nonadiabatic dynamics calculations.}, language = {en} } @article{YangJaiserKlingeretal.2006, author = {Yang, X. H. and Jaiser, Frank and Klinger, S and Neher, Dieter}, title = {Blue polymer electrophosphorescent devices with different electron-transporting oxadiazoles}, doi = {10.1063/1.2162693}, year = {2006}, abstract = {We report that the performances of blue polymer electrophosphorescent devices are crucially depending on the choice of the electron transporting material incorporated into the emissive layer. Devices with 1,3-bis[(4-tert- butylphenyl)-1,3,4-oxidiazolyl]phenylene (OXD-7) doped at similar to 40 wt\% into a poly(vinylcarbazole) matrix exhibited significantly higher efficiencies than those with 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole (PBD), yielding maximum luminous and power efficiency values of 18.2 Cd/A and 8.8 lm/W, respectively. Time resolved photoluminescence measurements revealed a long lifetime phosphorescence component in layers with PBD, which we assign to significant triplet harvesting by this electron-transporting component. (c) 2006 American Institute of Physics}, language = {en} } @article{YangNeher2004, author = {Yang, X. H. and Neher, Dieter}, title = {Polymer electrophosphorescence devices with high power conversion efficiencies}, issn = {0003-6951}, year = {2004}, abstract = {We demonstrate efficient single-layer polymer phosphorescent light-emitting devices based on a green-emitting iridium complex and a polymer host co-doped with electron-transporting and hole-transporting molecules. These devices can be operated at relatively low voltages, resulting in a power conversion efficiency of up to 24 lm/W at luminous efficiencies exceeding 30 cd/A. The overall performances of these devices suggest that efficient electrophosphorescent devices with acceptable operating voltages can be achieved in very simple device structures fabricated by spin coating. (C) 2004 American Institute of Physics}, language = {en} } @article{YangNeherHerteletal.2004, author = {Yang, X. H. and Neher, Dieter and Hertel, D. and Daubler, T. K.}, title = {Highly efficient single-layer polymer electrophosphorescent devices}, issn = {0935-9648}, year = {2004}, abstract = {A commercially available Ir complex has been employed for the preparation of highly efficient (see Figure) single-layer phosphorescent polymer light,emitting diodes by use of appropriate thermal treatment and proper adjustment of the layer composition. These devices exhibit essentially no dependence of the driving field on the concentration of the Ir complex, suggesting that the build-up of space-charge in the layer is insignificant}, language = {en} } @article{YangJaiserNeheretal.2004, author = {Yang, Xiao Hui and Jaiser, Frank and Neher, Dieter and Lawson, PaDreyia V. and Br{\´e}das, Jean-Luc and Zojer, Egbert and G{\"u}ntner, Roland and Scanduicci de Freitas, Patricia and Forster, Michael and Scherf, Ullrich}, title = {Suppression of the keto-emission in polyfluorene light-emitting diodes : Experiments and models}, issn = {1616-301X}, year = {2004}, abstract = {The spectral characteristics of polyfluorene (PF)-based light-emitting diodes (LEDs) containing a defined low concentration of either keto-defects or of the polymer poly(9.9-octylfuorene-co-benzothiadiazole) (F8BT) are preseneted. Both types of blend layers were tested in different device configurations with respect to the relative and absolute intensities of green blue emission components. It is shown that blending hole-transporting molecules into the emission layer at low concentration or incorporation of a suitable hole-transport layer reduces the green emission contribution in the electroluminescence (EL) spectrum of the PF:F8BT blend, which is similar to what is observed for the keto- containing PF layer. We conclude that the keto-defects in PF homopolymer layers mainly constitute weakly emissive electron traps, in agreement with the results of quantum-mechanical calculations}, language = {en} } @article{YangJaiserStilleretal.2006, author = {Yang, Xiao Hui and Jaiser, Frank and Stiller, Burkhard and Neher, Dieter and Galbrecht, Frank and Scherf, Ullrich}, title = {Efficient polymer electrophosphoreseent devices with interfacial layers}, series = {Advanced functional materials}, volume = {16}, journal = {Advanced functional materials}, number = {16}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1616-301X}, doi = {10.1002/adfm.200500834}, pages = {2156 -- 2162}, year = {2006}, abstract = {It is shown that several polymers can form insoluble interfacial layers on a poly (ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) layer after annealing of the double-layer structure. The thickness of the interlayer is dependent on the characteristics of the underlying PEDOT.PSS and the molecular weight of the polymers. It is further shown that the electronic structures of the interlayer polymers have a significant effect on the properties of red-light-emitting polymer-based electrophosphorescent devices. Upon increasing the highest occupied molecular orbital and lowest unoccupied molecular orbital positions, a significant increase in current density and device efficiency is observed. This is attributed to efficient blocking of electrons in combination with direct injection of holes from the interlayer to the phosphorescent dye. Upon proper choice of the interlayer polymer, efficient red, polymer-based electrophosphorescent devices with a peak luminance efficiency of 5.5 cd A(-1) (external quantum efficiency = 6 \%) and a maximum power-conversion efficiency of 5 Im W-1 can be realized.}, language = {en} } @article{YangMuellerNeheretal.2006, author = {Yang, Xiaohui and M{\"u}ller, David C. and Neher, Dieter and Meerholz, Klaus}, title = {Highly efficient polymeric electrophosphorescent diodes}, year = {2006}, abstract = {Polymeric electrophosphorescent LEDs with internal quantum efficiencies approaching unity have been fabricated. Such performance levels are previously unknown for OLEDs. The key to this success is redox chemically doped oxetane- crosslinkable hole-transporting layers with multilayer capability (see figure). They improve hole injection and act as electron-blocking layers, without the need to include exciton-or hole-blocking layers}, language = {en} } @article{YazmaciyanStolterfohtBurnetal.2018, author = {Yazmaciyan, Aren and Stolterfoht, Martin and Burn, Paul L. and Lin, Qianqian and Meredith, Paul and Armin, Ardalan}, title = {Recombination losses above and below the transport percolation threshold in bulk heterojunction organic solar cells}, series = {Advanced energy materials}, volume = {8}, journal = {Advanced energy materials}, number = {18}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201703339}, pages = {8}, year = {2018}, abstract = {Achieving the highest power conversion efficiencies in bulk heterojunction organic solar cells requires a morphology that delivers electron and hole percolation pathways for optimized transport, plus sufficient donor:acceptor contact area for near unity charge transfer state formation. This is a significant structural challenge, particularly in semiconducting polymer:fullerene systems. This balancing act in the model high efficiency PTB7:PC70BM blend is studied by tuning the donor:acceptor ratio, with a view to understanding the recombination loss mechanisms above and below the fullerene transport percolation threshold. The internal quantum efficiency is found to be strongly correlated to the slower carrier mobility in agreement with other recent studies. Furthermore, second-order recombination losses dominate the shape of the current density-voltage curve in efficient blend combinations, where the fullerene phase is percolated. However, below the charge transport percolation threshold, there is an electric-field dependence of first-order losses, which includes electric-field-dependent photogeneration. In the intermediate regime, the fill factor appears to be limited by both first- and second-order losses. These findings provide additional basic understanding of the interplay between the bulk heterojunction morphology and the order of recombination in organic solar cells. They also shed light on the limitations of widely used transport models below the percolation threshold.}, language = {en} } @article{YeZhangWarbyetal.2022, author = {Ye, Fangyuan and Zhang, Shuo and Warby, Jonathan and Wu, Jiawei and Gutierrez-Partida, Emilio and Lang, Felix and Shah, Sahil and Saglamkaya, Elifnaz and Sun, Bowen and Zu, Fengshuo and Shoai, Safa and Wang, Haifeng and Stiller, Burkhard and Neher, Dieter and Zhu, Wei-Hong and Stolterfoht, Martin and Wu, Yongzhen}, title = {Overcoming C₆₀-induced interfacial recombination in inverted perovskite solar cells by electron-transporting carborane}, series = {Nature Communications}, volume = {13}, journal = {Nature Communications}, number = {1}, publisher = {Springer Nature}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-022-34203-x}, pages = {12}, year = {2022}, abstract = {Inverted perovskite solar cells still suffer from significant non-radiative recombination losses at the perovskite surface and across the perovskite/C₆₀ interface, limiting the future development of perovskite-based single- and multi-junction photovoltaics. Therefore, more effective inter- or transport layers are urgently required. To tackle these recombination losses, we introduce ortho-carborane as an interlayer material that has a spherical molecular structure and a three-dimensional aromaticity. Based on a variety of experimental techniques, we show that ortho-carborane decorated with phenylamino groups effectively passivates the perovskite surface and essentially eliminates the non-radiative recombination loss across the perovskite/C₆₀ interface with high thermal stability. We further demonstrate the potential of carborane as an electron transport material, facilitating electron extraction while blocking holes from the interface. The resulting inverted perovskite solar cells deliver a power conversion efficiency of over 23\% with a low non-radiative voltage loss of 110 mV, and retain >97\% of the initial efficiency after 400 h of maximum power point tracking. Overall, the designed carborane based interlayer simultaneously enables passivation, electron-transport and hole-blocking and paves the way toward more efficient and stable perovskite solar cells.}, language = {en} } @article{YeKurthHospodarskyetal.2018, author = {Ye, S. -Y. and Kurth, William S. and Hospodarsky, George B. and Persoon, Ann M. and Gurnett, Don A. and Morooka, Michiko and Wahlund, Jan-Erik and Hsu, Hsiang-Wen and Seiss, Martin and Srama, Ralf}, title = {Cassini RPWS dust observation near the Janus/Epimetheus orbit}, series = {Journal of geophysical research : Space physics}, volume = {123}, journal = {Journal of geophysical research : Space physics}, number = {6}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2017JA025112}, pages = {4952 -- 4960}, year = {2018}, abstract = {During the Ring Grazing orbits near the end of Cassini mission, the spacecraft crossed the equatorial plane near the orbit of Janus/Epimetheus (similar to 2.5 Rs). This region is populated with dust particles that can be detected by the Radio and Plasma Wave Science (RPWS) instrument via an electric field antenna signal. Analysis of the voltage waveforms recorded on the RPWS antennas provides estimations of the density and size distribution of the dust particles. Measured RPWS profiles, fitted with Lorentzian functions, are shown to be mostly consistent with the Cosmic Dust Analyzer, the dedicated dust instrument on board Cassini. The thickness of the dusty ring varies between 600 and 1,000 km. The peak location shifts north and south within 100 km of the ring plane, likely a function of the precession phase of Janus orbit.}, language = {en} } @article{YeKurthHospodarskyetal.2018, author = {Ye, Shengyi and Kurth, William S. and Hospodarsky, George B. and Persoon, Ann M. and Sulaiman, Ali H. and Gurnett, Don A. and Morooka, Michiko and Wahlund, Jan-Erik and Hsu, Hsiang-Wen and Sternovsky, Zoltan and Wang, Xu and Horanyi, M. and Seiss, Martin and Srama, Ralf}, title = {Dust Observations by the Radio and Plasma Wave Science Instrument During}, series = {Geophysical research letters}, volume = {45}, journal = {Geophysical research letters}, number = {19}, publisher = {American Geophysical Union}, address = {Washington}, issn = {0094-8276}, doi = {10.1029/2018GL078059}, pages = {10101 -- 10109}, year = {2018}, abstract = {Plain Language Summary Cassini flew through the gap between Saturn and its rings for 22 times before plunging into the atmosphere of Saturn, ending its 20-year mission. The radio and plasma waves instrument on board Cassini helped quantify the dust hazard in this previously unexplored region. The measured density of large dust particles was much lower than expected, allowing high-value science observations during the subsequent Grand Finale orbits.}, language = {en} } @article{YeldesbayPikovskijRosenblum2014, author = {Yeldesbay, Azamat and Pikovskij, Arkadij and Rosenblum, Michael}, title = {Chimeralike states in an ensemble of globally coupled oscillators}, series = {Physical review letters}, volume = {112}, journal = {Physical review letters}, number = {14}, publisher = {American Physical Society}, address = {College Park}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.112.144103}, pages = {5}, year = {2014}, abstract = {We demonstrate the emergence of a complex state in a homogeneous ensemble of globally coupled identical oscillators, reminiscent of chimera states in nonlocally coupled oscillator lattices. In this regime some part of the ensemble forms a regularly evolving cluster, while all other units irregularly oscillate and remain asynchronous. We argue that the chimera emerges because of effective bistability, which dynamically appears in the originally monostable system due to internal delayed feedback in individual units. Additionally, we present two examples of chimeras in bistable systems with frequency-dependent phase shift in the global coupling.}, language = {en} } @article{YestePrimusAlcantaraetal.2020, author = {Yeste, Maria Pilar and Primus, Philipp-Alexander and Alcantara, Rodrigo and Cauqui, Miguel Angel and Calvino, Juan Jose and Pintado, Jos{\´e} Mar{\´i}a and Blanco, Ginesa}, title = {Surface characterization of two Ce0.62Zr0.38O2 mixed oxides with different reducibility}, series = {Applied surface science : a journal devoted to applied physics and chemistry of surfaces and interfaces}, volume = {503}, journal = {Applied surface science : a journal devoted to applied physics and chemistry of surfaces and interfaces}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2019.144255}, pages = {9}, year = {2020}, abstract = {This paper presents a study of the surface properties of two Ce/Zr mixed oxides with different reducibility, obtained by applying distinct thermal ageing treatments to an oxide with the composition Ce0.62Zr0.38O2. The surface composition was investigated by XPS. Chemical reactivity of the surface was studied by adsorption of the probe molecules CO2, D-2 and methanol. Nanostructural characterization was carried out by XRD, Raman and high-resolution Eu3+ spectroscopy (FLNS). The characterization showed only slight variations in surface composition and bulk Ce-Zr distribution, but hardy differences concerning the type and strength of acidic surface centres, as well as strong differences in the ability to dissociate hydrogen. Structural variations between both samples were identified by comparing the optical spectra of Eu3+ in surface doped samples.}, language = {en} } @article{YilmazWirgesBauerGogoneaetal.1997, author = {Yilmaz, S{\"u}kr{\"u} and Wirges, Werner and Bauer-Gogonea, Simona and Bauer, Siegfried and Gerhard, Reimund and Michelotti, F. and Toussaere, E. and Levenson, R. and Liang, J. and Zyss, Joseph}, title = {Dielectric, pyroelectric and electro-optic monitoring of the cross-linking process and photo-induced poling of Red Acid Magly}, year = {1997}, language = {en} } @article{YinInhesterVeeduetal.2017, author = {Yin, Zhong and Inhester, Ludger and Veedu, Sreevidya Thekku and Quevedo, Wilson and Pietzsch, Annette and Wernet, Philippe and Groenhof, Gerrit and F{\"o}hlisch, Alexander and Grubmueller, Helmut and Techert, Simone}, title = {Cationic and Anionic Impact on the Electronic Structure of Liquid Water}, series = {The journal of physical chemistry letters}, volume = {8}, journal = {The journal of physical chemistry letters}, publisher = {American Chemical Society}, address = {Washington}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.7b01392}, pages = {3759 -- 3764}, year = {2017}, abstract = {Hydration shells around ions are crucial for many fundamental biological and chemical processes. Their local physicochemical properties are quite different from those of bulk water and hard to probe experimentally. We address this problem by combining soft X-ray spectroscopy using a liquid jet and molecular dynamics (MD) simulations together with ab initio electronic structure calculations to elucidate the water ion interaction in a MgCl2 solution at the molecular level. Our results reveal that salt ions mainly affect the electronic properties of water molecules in close vicinity and that the oxygen K-edge X-ray emission spectrum of water molecules in the first solvation shell differs significantly from that of bulk water. Ion-specific effects are identified by fingerprint features in the water X-ray emission spectra. While Mg2+ ions cause a bathochromic shift of the water lone pair orbital, the 3p orbital of the Cl- ions causes an additional peak in the water emission spectrum at around 528 eV.}, language = {en} } @article{YinRajkovicKubiceketal.2014, author = {Yin, Zhong and Rajkovic, Ivan and Kubicek, Katharina and Quevedo, Wilson and Pietzsch, Annette and Wernet, Philippe and F{\"o}hlisch, Alexander and Techert, Simone}, title = {Probing the Hofmeister effect with ultrafast core-hole spectroscopy}, series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, volume = {118}, journal = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, number = {31}, publisher = {American Chemical Society}, address = {Washington}, issn = {1520-6106}, doi = {10.1021/jp504577a}, pages = {9398 -- 9403}, year = {2014}, abstract = {In the current work, X-ray emission spectra of aqueous solutions of different inorganic salts within the Hofmeister series are presented. The results reflect the direct interaction of the ions with the water molecules and therefore, reveal general properties of the salt-water interactions. Within the experimental precision a significant effect of the ions on the water structure has been observed but no ordering according to the structure maker/structure breaker concept could be mirrored in the results indicating that the Hofmeister effect if existent may be caused by more complex interactions.}, 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{YochelisBetaGov2020, author = {Yochelis, Arik and Beta, Carsten and Gov, Nir S.}, title = {Excitable solitons}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {101}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {2}, publisher = {American Physical Society}, address = {Melville, NY}, issn = {2470-0045}, doi = {10.1103/PhysRevE.101.022213}, pages = {6}, year = {2020}, abstract = {Excitable pulses are among the most widespread dynamical patterns that occur in many different systems, ranging from biological cells to chemical reactions and ecological populations. Traditionally, the mutual annihilation of two colliding pulses is regarded as their prototypical signature. Here we show that colliding excitable pulses may exhibit solitonlike crossover and pulse nucleation if the system obeys a mass conservation constraint. In contrast to previous observations in systems without mass conservation, these alternative collision scenarios are robustly observed over a wide range of parameters. We demonstrate our findings using a model of intracellular actin waves since, on time scales of wave propagations over the cell scale, cells obey conservation of actin monomers. The results provide a key concept to understand the ubiquitous occurrence of actin waves in cells, suggesting why they are so common, and why their dynamics is robust and long-lived.}, language = {en} } @article{YoonLopezVafinetal.2017, author = {Yoon, P. H. and Lopez, R. A. and Vafin, Sergei and Kim, S. and Schlickeiser, R.}, title = {Spontaneous emission of Alfvenic fluctuations}, series = {Plasma physics and controlled fusion}, volume = {59}, journal = {Plasma physics and controlled fusion}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0741-3335}, doi = {10.1088/1361-6587/aa77c3}, pages = {8}, year = {2017}, abstract = {Low-frequency fluctuations are pervasively observed in the solar wind. The present paper theoretically calculates the steady state spectra of low-frequency electromagnetic (EM) fluctuations of the Alfvenic type for thermal equilibrium plasma. The analysis is based upon a recently formulated theory of spontaneously emitted EM fluctuations in magnetized thermal plasmas. It is found that the fluctuations in the magnetosonic mode branch is constant, while the kinetic Alfvenic mode spectrum is dependent on a form factor that is a function of perpendicular wave number. Potential applicability of the present work in the wider context of heliospheric research is also discussed.}, language = {en} } @article{YoonLangerScheithauer2004, author = {Yoon, S.-C. and Langer, Norbert and Scheithauer, S.}, title = {Effects of rotation on the helium burning shell source in accreting white dwarfs}, issn = {0004-6361}, year = {2004}, abstract = {We investigate the effects of rotation on the behavior of the helium-burning shell source in accreting carbon- oxygen white dwarfs, in the context of the single degenerate Chandrasekhar mass progenitor scenario for type la supernovae (SNe Ia). We model the evolution of helium-accreting white dwarfs of initially 1 M-circle dot, assuming four different constant accretion rates (2, 3, 5 and 10 x 10(-7) M-circle dot/yr). In a one-dimensional approximation, we compute the mass accretion and subsequent nuclear fusion of helium into carbon and oxygen, as well as angular momentum accretion, angular momentum transport inside the white dwarf, and rotationally induced chemical mixing. Our models show two major effects of rotation: a) The helium-burning nuclear shell source in the rotating models is much more stable than in corresponding non-rotating models - which increases the likelihood that accreting white dwarfs reach the stage of central carbon ignition. This effect is mainly due to rotationally induced mixing at the CO/He interface which widens the shell source, and due to the centrifugal force lowering the density and degeneracy at the shell source location. b) The C/O-ratio in the layers which experience helium shell burning - which may affect the energy of an SN Ia explosion - is strongly decreased by the rotationally induced mixing of a-particles into the carbon-rich layers. We discuss implications of our results for the evolution of SNe la progenitors}, language = {en} } @article{YorkJacksonBrowneetal.2005, author = {York, T. and Jackson, N. and Browne, Ian W. A. and Wucknitz, Olaf and Skelton, J. E.}, title = {The Hubble constant from the gravitational lens CLASS B0218+357 using the Advanced Camera for Surveys}, issn = {0035-8711}, year = {2005}, abstract = {We present deep optical observations of the gravitational lens system CLASS B0218 + 357, from which we derive an estimate for the Hubble constant (H-0). Extensive radio observations using the VLA, MERLIN, the VLBA and VLBI have reduced the degeneracies between H-0 and the mass model parameters in this lens to one involving only the position of the radio-quiet lensing galaxy with respect to the lensed images. B0218 + 357 has an image separation of only 334 mas, so optical observations have, up until now, been unable to resolve the lens galaxy from the bright lensed images. Using the new Advanced Camera for Surveys (ACS), installed on the Hubble Space Telescope in 2002, we have obtained deep optical images of the lens system and surrounding field. These observations have allowed us to determine the separation between the lens galaxy centre and the brightest image, and so estimate H-0. We find an optical galaxy position, and hence an H0 value, that varies depending on our approach to the spiral arms in B0218 + 357. If the most prominent spiral arms are left unmasked, we find H-0 = 70 +/- 5 km s(-1) Mpc(-1) (95 per cent confidence). If the spiral arms are masked out, we find H-0 = 61 +/- 7 km s(-1) Mpc(-1) (95 per cent confidence)}, language = {en} } @article{YoungUedaGuehretal.2018, author = {Young, Linda and Ueda, Kiyoshi and G{\"u}hr, Markus and Bucksbaum, Philip H. and Simon, Marc and Mukamel, Shaul and Rohringer, Nina and Prince, Kevin C. and Masciovecchio, Claudio and Meyer, Michael and Rudenko, Artem and Rolles, Daniel and Bostedt, Christoph and Fuchs, Matthias and Reis, David A. and Santra, Robin and Kapteyn, Henry and Murnane, Margaret and Ibrahim, Heide and Legare, Francois and Vrakking, Marc and Isinger, Marcus and Kroon, David and Gisselbrecht, Mathieu and W{\"o}rner, Hans Jakob and Leone, Stephen R.}, title = {Roadmap of ultrafast x-ray atomic and molecular physics}, series = {Journal of physics : B, Atomic, molecular and optical physics}, volume = {51}, journal = {Journal of physics : B, Atomic, molecular and optical physics}, number = {3}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0953-4075}, doi = {10.1088/1361-6455/aa9735}, pages = {45}, year = {2018}, abstract = {X-ray free-electron lasers (XFELs) and table-top sources of x-rays based upon high harmonic generation (HHG) have revolutionized the field of ultrafast x-ray atomic and molecular physics, largely due to an explosive growth in capabilities in the past decade. XFELs now provide unprecedented intensity (10(20) W cm(-2)) of x-rays at wavelengths down to similar to 1 Angstrom, and HHG provides unprecedented time resolution (similar to 50 attoseconds) and a correspondingly large coherent bandwidth at longer wavelengths. For context, timescales can be referenced to the Bohr orbital period in hydrogen atom of 150 attoseconds and the hydrogen-molecule vibrational period of 8 femtoseconds; wavelength scales can be referenced to the chemically significant carbon K-edge at a photon energy of similar to 280 eV (44 Angstroms) and the bond length in methane of similar to 1 Angstrom. With these modern x-ray sources one now has the ability to focus on individual atoms, even when embedded in a complex molecule, and view electronic and nuclear motion on their intrinsic scales (attoseconds and Angstroms). These sources have enabled coherent diffractive imaging, where one can image non-crystalline objects in three dimensions on ultrafast timescales, potentially with atomic resolution. The unprecedented intensity available with XFELs has opened new fields of multiphoton and nonlinear x-ray physics where behavior of matter under extreme conditions can be explored. The unprecedented time resolution and pulse synchronization provided by HHG sources has kindled fundamental investigations of time delays in photoionization, charge migration in molecules, and dynamics near conical intersections that are foundational to AMO physics and chemistry. This roadmap coincides with the year when three new XFEL facilities, operating at Angstrom wavelengths, opened for users (European XFEL, Swiss-FEL and PAL-FEL in Korea) almost doubling the present worldwide number of XFELs, and documents the remarkable progress in HHG capabilities since its discovery roughly 30 years ago, showcasing experiments in AMO physics and other applications. Here we capture the perspectives of 17 leading groups and organize the contributions into four categories: ultrafast molecular dynamics, multidimensional x-ray spectroscopies; high-intensity x-ray phenomena; attosecond x-ray science.}, language = {en} } @article{YuanZhangQiuetal.2022, author = {Yuan, Jun and Zhang, Chujun and Qiu, Beibei and Liu, Wei and So, Shu Kong and Mainville, Mathieu and Leclerc, Mario and Shoaee, Safa and Neher, Dieter and Zou, Yingping}, title = {Effects of energetic disorder in bulk heterojunction organic solar cells}, series = {Energy \& environmental science}, volume = {15}, journal = {Energy \& environmental science}, number = {7}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1754-5692}, doi = {10.1039/d2ee00271j}, pages = {2806 -- 2818}, year = {2022}, abstract = {Organic solar cells (OSCs) have progressed rapidly in recent years through the development of novel organic photoactive materials, especially non-fullerene acceptors (NFAs). Consequently, OSCs based on state-of-the-art NFAs have reached significant milestones, such as similar to 19\% power conversion efficiencies (PCEs) and small energy losses (less than 0.5 eV). Despite these significant advances, understanding of the interplay between molecular structure and optoelectronic properties lags significantly behind. For example, despite the theoretical framework for describing the energetic disorder being well developed for the case of inorganic semiconductors, the question of the applicability of classical semiconductor theories in analyzing organic semiconductors is still under debate. A general observation in the inorganic field is that inorganic photovoltaic materials possessing a polycrystalline microstructure exhibit suppressed disorder properties and better charge carrier transport compared to their amorphous analogs. Accordingly, this principle extends to the organic semiconductor field as many organic photovoltaic materials are synthesized to pursue polycrystalline-like features. Yet, there appears to be sporadic examples that exhibit an opposite trend. However, full studies decoupling energetic disorder from aggregation effects have largely been left out. Hence, the potential role of the energetic disorder in OSCs has received little attention. Interestingly, recently reported state-of-the-art NFA-based devices could achieve a small energetic disorder and high PCE at the same time; and interest in this investigation related to the disorder properties in OSCs was revived. In this contribution, progress in terms of the correlation between molecular design and energetic disorder is reviewed together with their effects on the optoelectronic mechanism and photovoltaic performance. Finally, the specific challenges and possible solutions in reducing the energetic disorder of OSCs from the viewpoint of materials and devices are proposed.}, language = {en} } @article{ZablBoucheSchroetteretal.2019, author = {Zabl, Johannes and Bouche, Nicolas F. and Schroetter, Ilane and Wendt, Martin and Finley, Hayley and Schaye, Joop and Conseil, Simon and Contini, Thierry and Marino, Raffaella Anna and Mitchell, Peter and Muzahid, Sowgat and Pezzulli, Gabriele and Wisotzki, Lutz}, title = {MusE GAs FLOw and Wind (MEGAFLOW)}, series = {Monthly notices of the Royal Astronomical Society}, volume = {485}, journal = {Monthly notices of the Royal Astronomical Society}, number = {2}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stz392}, pages = {1961 -- 1980}, year = {2019}, abstract = {We use the MusE GAs FLOw and Wind (MEGAFLOW) survey to study the kinematics of extended disc-like structures of cold gas around z approximate to 1 star-forming galaxies. The combination of VLT/MUSE and VLT/UVES observations allows us to connect the kinematics of the gas measured through MgII quasar absorption spectroscopy to the kinematics and orientation of the associated galaxies constrained through integral field spectroscopy. Confirming previous results, we find that the galaxy-absorber pairs of the MEGAFLOW survey follow a strong bimodal distribution, consistent with a picture of MgII absorption being predominantly present in outflow cones and extended disc-like structures. This allows us to select a bona-fide sample of galaxy-absorber pairs probing these discs for impact paramometers of 10-70 kpc. We test the hypothesis that the disc-like gas is co-rotating with the galaxy discs, and find that for seven out of nine pairs the absorption velocity shares the sign of the disc velocity, disfavouring random orbits. We further show that the data are roughly consistent with inflow velocities and angular momenta predicted by simulations, and that the corresponding mass accretion rates are sufficient to balance the star formation rates.}, language = {en} } @article{ZachariasChenWagner2017, author = {Zacharias, Michael and Chen, Xuhui and Wagner, Stefan}, title = {Attenuation of TeV gamma-rays by the starlight photon field of the host galaxy}, series = {Monthly notices of the Royal Astronomical Society}, volume = {465}, journal = {Monthly notices of the Royal Astronomical Society}, number = {3}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stw3032}, pages = {3767 -- 3774}, year = {2017}, abstract = {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.}, language = {en} } @article{ZaikinGarciaOjalvoSchimanskyGeier1999, author = {Zaikin, Alexei A. and Garcia-Ojalvo, Jordi and Schimansky-Geier, Lutz}, title = {Nonequilibrium first-order phase transition inducd by additive noise}, year = {1999}, language = {en} } @article{ZaikinGarciaOjalvoSchimanskyGeieretal.2002, author = {Zaikin, Alexei A. and Garc{\´i}a-Ojalvo, Jordi and Schimansky-Geier, Lutz and Kurths, J{\"u}rgen}, title = {Noise induced propagation in monostable media}, year = {2002}, abstract = {We show that external fluctuations are able to induce propagation of harmonic signals through monostable media. This property is based on the phenomenon of doubly stochastic resonance, where the joint action of multiplicative noise and spatial coupling induces bistability in an otherwise monostable extended medium, and additive noise resonantly enhances the response of the system to a harmonic forcing. Under these conditions, propagation of the harmonic signal through the unforced medium i observed for optimal intensities of the two noises. This noise-induced propagation is studied and quantified in a simple model of coupled nonlinear electronic circuits.}, language = {en} } @article{ZaikinKurths2001, author = {Zaikin, Alexei A. and Kurths, J{\"u}rgen}, title = {Additive noise in noise-induced nonequilibrium transitions}, issn = {1054-1500}, year = {2001}, language = {en} } @article{ZaikinKurths2000, author = {Zaikin, Alexei A. and Kurths, J{\"u}rgen}, title = {Additive noise and noise-induced nonequilibrium phase transitions}, isbn = {1-563-96826-6}, year = {2000}, language = {en} } @article{ZaikinKurths1999, author = {Zaikin, Alexei A. and Kurths, J{\"u}rgen}, title = {Modeling Cognitive Control in Simple Movements}, isbn = {1-563-96863-0}, year = {1999}, language = {en} } @article{ZaikinKurthsSchimanskyGeier2000, author = {Zaikin, Alexei A. and Kurths, J{\"u}rgen and Schimansky-Geier, Lutz}, title = {Doubly stochastic resonance}, year = {2000}, abstract = {We report the effect of doubly stochastic resonance which appears in nonlinear extended systems if the influence of noise is twofold: A multiplicative noise induces bimodality of the mean field of the coupled network and an independent additive noise governs the dynamic behavior in response to small periodic driving. For optimally selected values of the additive noise intensity stochastic resonance is observed, which is manifested by a maximal coherence between the dynamics of the mean field and the periodic input. Numerical simulations of the signal-to-noise ratio and theoretical results from an effective two state model are in good quantitative agreement.}, language = {en} } @article{ZaikinLopezBaltanasetal.2002, author = {Zaikin, Alexei A. and L{\´o}pez, L and Baltan{\´a}s, J. P. and Kurths, J{\"u}rgen and Sanjuan, Miguel Angel Fern{\´a}ndez}, title = {Vibrational resonance in noise-induced structure}, year = {2002}, abstract = {We report on the effect of vibrational resonance in a spatially extended system of coupled noisy oscillators under the action of two periodic forces, a low-frequency one (signal) and a high-frequency one (carrier). Vibrational resonance manifests itself in the fact that for optimally selected values of high-frequency force amplitude, the response of the system to a low-frequency signal is optimal. This phenomenon is a synthesis of two effects, a noise- induced phase transition leading to bistability, and a conventional vibrational resonance, resulting in the optimization of signal processing. Numerical simulations, which demonstrate this effect for an extended system, can be understood by means of a zero-dimensional "effective" model. The behavior of this "effective" model is also confirmed by an experimental realization of an electronic circuit.}, language = {en} } @article{ZaikinMuraliKurths2001, author = {Zaikin, Alexei A. and Murali, K. and Kurths, J{\"u}rgen}, title = {Simple electronic circuit model for doubly stochastic resonance}, year = {2001}, abstract = {We have recently reported the phenomenon of doubly stochastic resonance [Phys. Rev. Lett. 85, 227 (2000)], a synthesis of noise-induced transition and stochastic resonance. The essential feature of this phenomenon is that multiplicative noise induces a bimodality and additive noise causes stochastic resonance behavior in the induced structure. In the present paper we outline possible applications of this effect and design a simple lattice of electronic circuits for the experimental realization of doubly stochastic resonance.}, language = {en} } @article{ZaikinRosenblumLandaetal.1998, author = {Zaikin, Alexei A. and Rosenblum, Michael and Landa, Polina S. and Kurths, J{\"u}rgen}, title = {On-off itermittency phenomena in a pendulum with a randomly vibrating suspension axis}, year = {1998}, language = {en} } @article{ZaikinRosenblumLandaetal.1997, author = {Zaikin, Alexei A. and Rosenblum, Michael and Landa, Polina S. and Kurths, J{\"u}rgen}, title = {Control of noise-induced oscillations of a pendulum with a rondomly vibrating suspension axis}, year = {1997}, language = {en} } @article{ZaikinRosenblumScheffczyketal.1997, author = {Zaikin, Alexei A. and Rosenblum, Michael and Scheffczyk, Christian and Engbert, Ralf and Krampe, Ralf-Thomas and Kurths, J{\"u}rgen}, title = {Modeling qualitative changes in bimanual movements}, year = {1997}, language = {en} } @article{ZaikinSchimanskyGeier1999, author = {Zaikin, Alexei A. and Schimansky-Geier, Lutz}, title = {Ordering role of additive noise in extended media}, issn = {1373-5411}, year = {1999}, language = {en} } @article{ZaikinTopajGarciaOjalvo2002, author = {Zaikin, Alexei A. and Topaj, Dmitri and Garcia-Ojalvo, Jordi}, title = {Noise-enhanced propagation of bichromatic signals}, year = {2002}, abstract = {We examine the influence of noise on the propagation of harmonic signals with two frequencies through discrete bistable media. We show that random fluctuations enhance propagation of this kind of signals for low coupling strengths, similarly to what happens with purely monochromatic signals. As a more relevant finding, we observe that the frequency being propagated with better efficiency can be selected by tuning the intensity of the noise, in such a way that for large noises the highest frequency is transmitted better than the lower one, whereas for small noises the reverse holds. Such a noise-induced frequency selection can be expected to exist for general multifrequency harmonic signals.}, language = {en} } @article{ZaikinKurthsSaparinetal.2005, author = {Zaikin, Alexei and Kurths, J{\"u}rgen and Saparin, Peter and Gowin, W. and Prohaska, Steffen}, title = {Modeling bone resorption in 2D CT and 3D mu CT images}, issn = {0218-1274}, year = {2005}, abstract = {We study several algorithms to simulate bone mass loss in two-dimensional and three-dimensional computed tomography bone images. The aim is to extrapolate and predict the bone loss, to provide test objects for newly developed structural measures, and to understand the physical mechanisms behind the bone alteration. Our bone model approach differs from those already reported in the literature by two features. First, we work with original bone images, obtained by computed tomography (CT); second, we use structural measures of complexity to evaluate bone resorption and to compare it with the data provided by CT. This gives us the possibility to test algorithms of bone resorption by comparing their results with experimentally found dependencies of structural measures of complexity, as well as to show efficiency of the complexity measures in the analysis of bone models. For two-dimensional images we suggest two algorithms, a threshold algorithm and a virtual slicing algorithm. The threshold algorithm simulates bone resorption on a boundary between bone and marrow, representing an activity of osteoclasts. The virtual slicing algorithm uses a distribution of the bone material between several virtually created slices to achieve statistically correct results, when the bone-marrow transition is not clearly defined. These algorithms have been tested for original CT 10 mm thick vertebral slices and for simulated 10 mm thick slices constructed from ten I mm thick slices. For three-dimensional data, we suggest a variation of the threshold algorithm and apply it to bone images. The results of modeling have been compared with CT images using structural measures of complexity in two- and three-dimensions. This comparison has confirmed credibility of a virtual slicing modeling algorithm for two-dimensional data and a threshold algorithm for three-dimensional data}, language = {en} } @article{ZaikinKurths2006, author = {Zaikin, Alexey and Kurths, J{\"u}rgen}, title = {Optimal length transportation hypothesis to model proteasome product size distribution}, series = {Journal of biological physics : emphasizing physical principles in biological research ; an international journal for the formulation and application of mathematical models in the biological sciences}, volume = {32}, journal = {Journal of biological physics : emphasizing physical principles in biological research ; an international journal for the formulation and application of mathematical models in the biological sciences}, number = {3-4}, publisher = {Springer}, address = {Dordrecht}, issn = {0092-0606}, doi = {10.1007/s10867-006-9014-z}, pages = {231 -- 243}, year = {2006}, abstract = {This paper discusses translocation features of the 20S proteasome in order to explain typical proteasome length distributions. We assume that the protein transport depends significantly on the fragment length with some optimal length which is transported most efficiently. By means of a simple one-channel model, we show that this hypothesis can explain both the one- and the three-peak length distributions found in experiments. A possible mechanism of such translocation is provided by so-called fluctuation-driven transport.}, 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} } @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{ZakharovaKurthsVadivasovaetal.2011, author = {Zakharova, Anna and Kurths, J{\"u}rgen and Vadivasova, Tatyana and Koseska, Aneta}, title = {Analysing dynamical behavior of cellular networks via stochastic bifurcations}, series = {PLoS one}, volume = {6}, journal = {PLoS one}, number = {5}, publisher = {PLoS}, address = {San Fransisco}, issn = {1932-6203}, doi = {10.1371/journal.pone.0019696}, pages = {12}, year = {2011}, abstract = {The dynamical structure of genetic networks determines the occurrence of various biological mechanisms, such as cellular differentiation. However, the question of how cellular diversity evolves in relation to the inherent stochasticity and intercellular communication remains still to be understood. Here, we define a concept of stochastic bifurcations suitable to investigate the dynamical structure of genetic networks, and show that under stochastic influence, the expression of given proteins of interest is defined via the probability distribution of the phase variable, representing one of the genes constituting the system. Moreover, we show that under changing stochastic conditions, the probabilities of expressing certain concentration values are different, leading to different functionality of the cells, and thus to differentiation of the cells in the various types.}, language = {en} } @article{ZakharovaVadivasovaAnishchenkoetal.2010, author = {Zakharova, Anna and Vadivasova, Tatjana and Anishchenko, Vadim S. and Koseska, Aneta and Kurths, J{\"u}rgen}, title = {Stochastic bifurcations and coherencelike resonance in a self-sustained bistable noisy oscillator}, issn = {1539-3755}, doi = {10.1103/Physreve.81.011106}, year = {2010}, abstract = {We investigate the influence of additive Gaussian white noise on two different bistable self-sustained oscillators: Duffing-Van der Pol oscillator with hard excitation and a model of a synthetic genetic oscillator. In the deterministic case, both oscillators are characterized with a coexistence of a stable limit cycle and a stable equilibrium state. We find that under the influence of noise, their dynamics can be well characterized through the concept of stochastic bifurcation, consisting in a qualitative change of the stationary amplitude distribution. For the Duffing-Van der Pol oscillator analytical results, obtained for a quasiharmonic approach, are compared with the result of direct computer simulations. In particular, we show that the dynamics is different for isochronous and anisochronous systems. Moreover, we find that the increase of noise intensity in the isochronous regime leads to a narrowing of the spectral line. This effect is similar to coherence resonance. However, in the case of anisochronous systems, this effect breaks down and a new phenomenon, anisochronous-based stochastic bifurcation occurs.}, language = {en} } @article{ZakrevskyyKopyshevLomadzeetal.2011, author = {Zakrevskyy, Yuriy and Kopyshev, Alexey and Lomadze, Nino and Morozova, Elena and Lysyakova, Liudmila and Kasyanenko, Nina and Santer, Svetlana}, title = {DNA compaction by azobenzene-containing surfactant}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {84}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {2}, publisher = {American Physical Society}, address = {College Park}, issn = {1539-3755}, doi = {10.1103/PhysRevE.84.021909}, pages = {9}, year = {2011}, abstract = {We report on the interaction of cationic azobenzene-containing surfactant with DNA investigated by absorption and fluorescence spectroscopy, dynamic light scattering, and atomic force microscopy. The properties of the surfactant can be controlled with light by reversible switching of the azobenzene unit, incorporated into the surfactant tail, between a hydrophobic trans (visible irradiation) and a hydrophilic cis (UV irradiation) configuration. The influence of the trans-cis isomerization of the azobenzene on the compaction process of DNA molecules and the role of both isomers in the formation and colloidal stability of DNA-surfactant complexes is discussed. It is shown that the trans isomer plays a major role in the DNA compaction process. The influence of the cis isomer on the DNA coil configuration is rather small. The construction of a phase diagram of the DNA concentration versus surfactant/DNA charge ratio allows distancing between three major phases: colloidally stable and unstable compacted globules, and extended coil conformation. There is a critical concentration of DNA above which the compacted globules can be hindered from aggregation and precipitation by adding an appropriate amount of the surfactant in the trans configuration. This is because of the compensation of hydrophobicity of the globules with an increasing amount of the surfactant. Below the critical DNA concentration, the compacted globules are colloidally stable and can be reversibly transferred with light to an extended coil state.}, language = {en} }