TY - THES A1 - Sorce, Jenny T1 - From Spitzer mid-infrared observations and measurements of peculiar velocities to constrained simulations of the local universe T1 - Von Spitzer-Beobachtungen im mittleren Infrarotbereich und Messungen der Pekuliargeschwindigkeiten zu Constrained Simulationen des Lokalen Universums N2 - Galaxies are observational probes to study the Large Scale Structure. Their gravitational motions are tracers of the total matter density and therefore of the Large Scale Structure. Besides, studies of structure formation and galaxy evolution rely on numerical cosmological simulations. Still, only one universe observable from a given position, in time and space, is available for comparisons with simulations. The related cosmic variance affects our ability to interpret the results. Simulations constrained by observational data are a perfect remedy to this problem. Achieving such simulations requires the projects Cosmic flows and CLUES. Cosmic flows builds catalogs of accurate distance measurements to map deviations from the expansion. These measures are mainly obtained with the galaxy luminosity-rotation rate correlation. We present the calibration of that relation in the mid-infrared with observational data from Spitzer Space Telescope. Resulting accurate distance estimates will be included in the third catalog of the project. In the meantime, two catalogs up to 30 and 150 Mpc/h have been released. We report improvements and applications of the CLUES' method on these two catalogs. The technique is based on the constrained realization algorithm. The cosmic displacement field is computed with the Zel'dovich approximation. This latter is then reversed to relocate reconstructed three-dimensional constraints to their precursors' positions in the initial field. The size of the second catalog (8000 galaxies within 150 Mpc/h) highlighted the importance of minimizing the observational biases. By carrying out tests on mock catalogs, built from cosmological simulations, a method to minimize observational bias can be derived. Finally, for the first time, cosmological simulations are constrained solely by peculiar velocities. The process is successful as resulting simulations resemble the Local Universe. The major attractors and voids are simulated at positions approaching observational positions by a few megaparsecs, thus reaching the limit imposed by the linear theory. N2 - Die Verteilung der Galaxien liefert wertvolle Erkenntnisse über die großräumigen Strukturen im Universum. Ihre durch Gravitation verursachte Bewegung ist ein direkter Tracer für die Dichteverteilung der gesamten Materie. Die Strukturentstehung und die Entwicklung von Galaxien wird mithilfe von numerischen Simulationen untersucht. Es gibt jedoch nur ein einziges beobachtbares Universum, welches mit der Theorie und den Ergebnissen unterschiedlicher Simulationen verglichen werden muß. Die kosmische Varianz erschwert es, das lokale Universum mit Simulationen zu reproduzieren. Simulationen, deren Anfangsbedingungen durch Beobachtungsdaten eingegrenzt sind (Constrained Simulations'') stellen eine geeignete Lösung dieses Problems dar. Die Durchführung solcher Simulationen ist das Ziel der Projekte Cosmicflows und CLUES. Im Cosmicflows-Projekt werden genaue Entfernungsmessungen von Galaxien erstellt, welche die Abweichung von der allgemeinen Hubble-Expansion abbilden. Diese Messungen werden hauptsächlich aus der Korrelation zwischen Leuchtkraft und Rotationsgeschwindigkeit von Spiralgalaxien gewonnen. In dieser Arbeit wird die Kalibrierung dieser Beziehung im mittleren Infrarot mithilfe von Daten vom Spitzer Space Telescope vorgestellt. Diese neuen Entfernungsbestimmungen werden im dritten Katalog des Cosmicflows-Projekts enthalten sein. Bisher wurden zwei Kataloge veröffentlicht, mit Entfernungen bis zu 30 beziehungsweise 150 Mpc/h. In dieser Arbeit wird die CLUES-Methode auf diese zwei Kataloge angewendet und Verbesserungen werden vorgestellt und diskutiert. Zunächst wird das kosmische Verschiebungsfeld mithilfe der Zeldovich-Näherung bestimmt. In umgekehrter Richtung kann man damit die aus heutigen Beobachtungsdaten rekonstruierten dreidimensionalen Constraints an ihren Ursprungsort im frühen Universum zurückzuversetzen. Durch den großen Datenumfang des cosmicflows-2 Katalogs (8000 Galaxien bis zu einer Entfernung von 150 Mpc/h) ist es besonders wichtig, den Einfluss verschiedener Beobachtungsfehler zu minimieren. Eine für das lokale Universum angepasste Korrekturmethode lässt sich durch die Untersuchung von Mock-Katalogen finden, welche aus kosmologischen Simulationen gewonnen werden. Schließlich stellt diese Arbeit erstmals kosmologische Simulationen vor, die ausschließlich durch Pekuliargeschwindigkeiten eingegrenzt sind. Der Erfolg dieser Methode wird dadurch bestätigt, dass die dadurch erzeugten Simulationen dem beobachteten lokalen Universum sehr ähnlich sind. Die relevanten Attraktoren und Voids liegen in den Simulationen an Positionen, welche bis auf wenige Megaparsec mit den beobachteten Positionen übereinstimmen. Die Simulationen erreichen damit die durch die lineare Theorie gegebene Genauigkeitsgrenze. KW - Beobachtungen KW - Entfernungen KW - Pekuliargeschwindigkeiten KW - Simulationen KW - observations KW - distances KW - peculiar velocities KW - simulations Y1 - 2014 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-72486 ER - TY - JOUR A1 - Spahn, Frank A1 - Vieira Neto, E. A1 - Guimaraes, A. H. F. A1 - Gorban, A. N. A1 - Brilliantov, Nikolai V. T1 - A statistical model of aggregate fragmentation JF - New journal of physics : the open-access journal for physics N2 - A statistical model of fragmentation of aggregates is proposed, based on the stochastic propagation of cracks through the body. The propagation rules are formulated on a lattice and mimic two important features of the process-a crack moves against the stress gradient while dissipating energy during its growth. We perform numerical simulations of the model for two-dimensional lattice and reveal that the mass distribution for small-and intermediate-size fragments obeys a power law, F(m) proportional to m(-3/2), in agreement with experimental observations. We develop an analytical theory which explains the detected power law and demonstrate that the overall fragment mass distribution in our model agrees qualitatively with that one observed in experiments. Y1 - 2014 U6 - https://doi.org/10.1088/1367-2630/16/1/013031 SN - 1367-2630 VL - 16 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Steffen, M. A1 - Hubrig, Swetlana A1 - Todt, Helge Tobias A1 - Schoeller, M. A1 - Hamann, Wolf-Rainer A1 - Sandin, Christer A1 - Schönberner, Detlef T1 - Weak magnetic fields in central stars of planetary nebulae? JF - Astronomy and astrophysics : an international weekly journal N2 - Context. It is not yet clear whether magnetic fields play an essential role in shaping planetary nebulae (PNe), or whether stellar rotation alone and/or a close binary companion, stellar or substellar, can account for the variety of the observed nebular morphologies. Aims. In a quest for empirical evidence verifying or disproving the role of magnetic fields in shaping planetary nebulae, we follow up on previous attempts to measure the magnetic field in a representative sample of PN central stars. Methods. We obtained low-resolution polarimetric spectra with FORS2 installed on the Antu telescope of the VLT for a sample of 12 bright central stars of PNe with different morphologies, including two round nebulae, seven elliptical nebulae, and three bipolar nebulae. Two targets are Wolf-Rayet type central stars. Results. For the majority of the observed central stars, we do not find any significant evidence for the existence of surface magnetic fields. However, our measurements may indicate the presence of weak mean longitudinal magnetic fields of the order of 100 Gauss in the central star of the young elliptical planetary nebula IC 418 as well as in the Wolf-Rayet type central star of the bipolar nebula Hen 2-113 and the weak emission line central star of the elliptical nebula Hen 2-131. A clear detection of a 250 G mean longitudinal field is achieved for the A-type companion of the central star of NGC 1514. Some of the central stars show a moderate night-to-night spectrum variability, which may be the signature of a variable stellar wind and/or rotational modulation due to magnetic features. Conclusions. Since our analysis indicates only weak fields, if any, in a few targets of our sample, we conclude that strong magnetic fields of the order of kG are not widespread among PNe central stars. Nevertheless, simple estimates based on a theoretical model of magnetized wind bubbles suggest that even weak magnetic fields below the current detection limit of the order of 100 G may well be sufficient to contribute to the shaping of the surrounding nebulae throughout their evolution. Our current sample is too small to draw conclusions about a correlation between nebular morphology and the presence of stellar magnetic fields. KW - planetary nebulae: general KW - stars: magnetic field KW - stars: AGB and post-AGB KW - binaries: close KW - techniques: polarimetric Y1 - 2014 U6 - https://doi.org/10.1051/0004-6361/201423842 SN - 0004-6361 SN - 1432-0746 VL - 570 PB - EDP Sciences CY - Les Ulis ER - TY - THES A1 - Steinhaus, Sebastian Peter T1 - Constructing quantum spacetime T1 - Konstruktion der Quantenraumzeit BT - relation to classical gravity BT - Relation zur klassischen Gravitation N2 - Despite remarkable progress made in the past century, which has revolutionized our understanding of the universe, there are numerous open questions left in theoretical physics. Particularly important is the fact that the theories describing the fundamental interactions of nature are incompatible. Einstein's theory of general relative describes gravity as a dynamical spacetime, which is curved by matter and whose curvature determines the motion of matter. On the other hand we have quantum field theory, in form of the standard model of particle physics, where particles interact via the remaining interactions - electromagnetic, weak and strong interaction - on a flat, static spacetime without gravity. A theory of quantum gravity is hoped to cure this incompatibility by heuristically replacing classical spacetime by quantum spacetime'. Several approaches exist attempting to define such a theory with differing underlying premises and ideas, where it is not clear which is to be preferred. Yet a minimal requirement is the compatibility with the classical theory, they attempt to generalize. Interestingly many of these models rely on discrete structures in their definition or postulate discreteness of spacetime to be fundamental. Besides the direct advantages discretisations provide, e.g. permitting numerical simulations, they come with serious caveats requiring thorough investigation: In general discretisations break fundamental diffeomorphism symmetry of gravity and are generically not unique. Both complicates establishing the connection to the classical continuum theory. The main focus of this thesis lies in the investigation of this relation for spin foam models. This is done on different levels of the discretisation / triangulation, ranging from few simplices up to the continuum limit. In the regime of very few simplices we confirm and deepen the connection of spin foam models to discrete gravity. Moreover, we discuss dynamical, e.g. diffeomorphism invariance in the discrete, to fix the ambiguities of the models. In order to satisfy these conditions, the discrete models have to be improved in a renormalisation procedure, which also allows us to study their continuum dynamics. Applied to simplified spin foam models, we uncover a rich, non--trivial fixed point structure, which we summarize in a phase diagram. Inspired by these methods, we propose a method to consistently construct the continuum theory, which comes with a unique vacuum state. N2 - Trotz bemerkenswerter Fortschritte im vergangenen Jahrhundert, die unser Verständnis des Universums revolutioniert haben, gibt es noch zahlreiche ungeklärte Fragen in der theoretischen Physik. Besondere Bedeutung kommt der Tatsache zu, dass die Theorien, welche die fundamentalen Wechselwirkungen der Natur beschreiben, inkompatibel sind. Nach Einsteins allgemeiner Relativitätstheorie wird die Gravitation durch eine dynamische Raumzeit dargestellt, die von Materie gekrümmt wird und ihrerseits durch die Krümmung die Bewegung der Materie bestimmt. Dem gegenüber steht die Quantenfeldtheorie, die die verbliebenen Wechselwirkungen - elektromagnetische, schwache und starke Wechselwirkung - im Standardmodell der Teilchenphysik beschreibt, in dem Teilchen auf einer statischen Raumzeit -- ohne Gravitation -- miteinander interagieren. Die Hoffnung ist, dass eine Theorie der Quantengravitation diese Inkompatibilität beheben kann, indem, heuristisch, die klassische Raumzeit durch eine 'Quantenraumzeit' ersetzt wird. Es gibt zahlreiche Ansätze eine solche Theorie zu definieren, die auf unterschiedlichen Prämissen und Ideen beruhen, wobei a priori nicht klar ist, welche zu bevorzugen sind. Eine Minimalanforderung an diese Theorien ist Kompatibilität mit der klassischen Theorie, die sie verallgemeinern sollen. Interessanterweise basieren zahlreiche Modelle in ihrer Definition auf Diskretisierungen oder postulieren eine fundamentale Diskretheit der Raumzeit. Neben den unmittelbaren Vorteilen, die Diskretisierungen bieten, z.B. das Ermöglichen numerischer Simulationen, gibt es auch gravierende Nachteile, die einer ausführlichen Untersuchung bedürfen: Im Allgemeinen brechen Diskretisierungen die fundamentale Diffeomorphismensymmetrie der Gravitation und sind in der Regel nicht eindeutig definiert. Beides erschwert die Wiederherstellung der Verbindung zur klassischen, kontinuierlichen Theorie. Das Hauptaugenmerk dieser Doktorarbeit liegt darin diese Verbindung insbesondere für Spin-Schaum-Modelle (spin foam models) zu untersuchen. Dies geschieht auf sehr verschiedenen Ebenen der Diskretisierung / Triangulierung, angefangen bei wenigen Simplizes bis hin zum Kontinuumslimes. Im Regime weniger Simplizes wird die bekannte Verbindung von Spin--Schaum--Modellen zu diskreter Gravitation bestätigt und vertieft. Außerdem diskutieren wir dynamische Prinzipien, z.B. Diffeomorphismeninvarianz im Diskreten, um die Ambiguitäten der Modelle zu fixieren. Um diese Bedingungen zu erfüllen, müssen die diskreten Modelle durch Renormierungsverfahren verbessert werden, wodurch wir auch ihre Kontinuumsdynamik untersuchen können. Angewandt auf vereinfachte Spin-Schaum-Modelle finden wir eine reichhaltige, nicht-triviale Fixpunkt-Struktur, die wir in einem Phasendiagramm zusammenfassen. Inspiriert von diesen Methoden schlagen wir zu guter Letzt eine konsistente Konstruktionsmethode für die Kontinuumstheorie vor, die einen eindeutigen Vakuumszustand definiert. KW - Quantengravitation KW - Spin-Schaum-Modelle KW - Regge Kalkül KW - Renormierung KW - Verfeinerungslimes KW - quantum gravity KW - spin foams KW - regge calculus KW - renormalization and refinement limit Y1 - 2014 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-72558 ER - TY - JOUR A1 - Stephan, Christoph A. T1 - A dark sector extension of the almost-commutative standard model JF - International journal of modern physics : A, Particles and fields, gravitation, cosmology, nuclear physics N2 - We consider an extension of the Standard Model within the framework of Noncommutative Geometry. The model is based on an older model [C. A. Stephan, Phys. Rev. D 79, 065013 (2009)] which extends the Standard Model by new fermions, a new U(1)-gauge group and, crucially, a new scalar field which couples to the Higgs field. This new scalar field allows to lower the mass of the Higgs mass from similar to 170 GeV, as predicted by the Spectral Action for the Standard Model, to a value of 120-130 GeV. The shortcoming of the previous model lay in its inability to meet all the constraints on the gauge couplings implied by the Spectral Action. These shortcomings are cured in the present model which also features a "dark sector" containing fermions and scalar particles. KW - Noncommutative geometry KW - spectral triple KW - beyond Standard Model KW - Higgs boson KW - scalar fields Y1 - 2014 U6 - https://doi.org/10.1142/S0217751X14500055 SN - 0217-751X SN - 1793-656X VL - 29 IS - 1 PB - World Scientific CY - Singapore ER - TY - THES A1 - Steyrleuthner, Robert T1 - Korrelation von Struktur, optischen Eigenschaften und Ladungstransport in einem konjugierten Naphthalindiimid-Bithiophen Copolymer mit herausragender Elektronenmobilität T1 - Correlation of structure, optical properties and charge transport in a conjugated naphtalendiimide-bithiophene copolymer with outstanding electron mobility N2 - Organische Halbleiter besitzen neue, bemerkenswerte Materialeigenschaften, die sie für die grundlegende Forschung wie auch aktuelle technologische Entwicklung (bsw. org. Leuchtdioden, org. Solarzellen) interessant werden lassen. Aufgrund der starken konformative Freiheit der konjugierten Polymerketten führt die Vielzahl der möglichen Anordnungen und die schwache intermolekulare Wechselwirkung für gewöhnlich zu geringer struktureller Ordnung im Festkörper. Die Morphologie hat gleichzeitig direkten Einfluss auf die elektronische Struktur der organischen Halbleiter, welches sich meistens in einer deutlichen Reduktion der Ladungsträgerbeweglichkeit gegenüber den anorganischen Verwandten zeigt. So stellt die Beweglichkeit der Ladungen im Halbleiter einen der limitierenden Faktoren für die Leistungsfähigkeit bzw. den Wirkungsgrad von funktionellen organischen Bauteilen dar. Im Jahr 2009 wurde ein neues auf Naphthalindiimid und Bithiophen basierendes Dornor/Akzeptor Copolymer vorgestellt [P(NDI2OD‑T2)], welches sich durch seine außergewöhnlich hohe Ladungsträgermobilität auszeichnet. In dieser Arbeit wird die Ladungsträgermobilität in P(NDI2OD‑T2) bestimmt, und der Transport durch eine geringe energetischer Unordnung charakterisiert. Obwohl dieses Material zunächst als amorph beschrieben wurde zeigt eine detaillierte Analyse der optischen Eigenschaften von P(NDI2OD‑T2), dass bereits in Lösung geordnete Vorstufen supramolekularer Strukturen (Aggregate) existieren. Quantenchemische Berechnungen belegen die beobachteten spektralen Änderungen. Mithilfe der NMR-Spektroskopie kann die Bildung der Aggregate unabhängig von optischer Spektroskopie bestätigt werden. Die Analytische Ultrazentrifugation an P(NDI2OD‑T2) Lösungen legt nahe, dass sich die Aggregation innerhalb der einzelnen Ketten unter Reduktion des hydrodynamischen Radius vollzieht. Die Ausbildung supramolekularen Strukturen nimmt auch eine signifikante Rolle bei der Filmbildung ein und verhindert gleichzeitig die Herstellung amorpher P(NDI2OD‑T2) Filme. Durch chemische Modifikation der P(NDI2OD‑T2)-Kette und verschiedener Prozessierungs-Methoden wurde eine Änderung des Kristallinitätsgrades und gleichzeitig der Orientierung der kristallinen Domänen erreicht und mittels Röntgenbeugung quantifiziert. In hochauflösenden Elektronenmikroskopie-Messungen werden die Netzebenen und deren Einbettung in die semikristallinen Strukturen direkt abgebildet. Aus der Kombination der verschiedenen Methoden erschließt sich ein Gesamtbild der Nah- und Fernordnung in P(NDI2OD‑T2). Über die Messung der Elektronenmobilität dieser Schichten wird die Anisotropie des Ladungstransports in den kristallographischen Raumrichtungen von P(NDI2OD‑T2) charakterisiert und die Bedeutung der intramolekularen Wechselwirkung für effizienten Ladungstransport herausgearbeitet. Gleichzeitig wird deutlich, wie die Verwendung von größeren und planaren funktionellen Gruppen zu höheren Ladungsträgermobilitäten führt, welche im Vergleich zu klassischen semikristallinen Polymeren weniger sensitiv auf die strukturelle Unordnung im Film sind. N2 - Organic semiconductors are in the focus of recent research and technological development (eg. for organic light-emitting diodes and solar cells) due to their specific and outstanding material properties. The strong conformational freedom of conjugated polymer chains usually leads to a large number of possible geometric arrangements while weak intermolecular interactions additionally lead to poor structural order in the solid state. At the same time the morphology of those systems has direct influence on the electronic structure of the organic semiconductor which is accompanied by a significant reduction of the charge carrier mobility in contrast to their inorganic counterparts. In that way the transport of charges within the semiconductor represents one of the main limiting factors regarding the performance and efficiency of functional organic devices. In 2009 Facchetti and coworkers presented a novel conjugated donor/acceptor copolymer based on naphthalene diimide and bithiophene [P(NDI2OD‑T2)] which was characterized by an outstanding charge carrier mobility. In this work the mobility of electrons and holes in the bulk of P(NDI2OD‑T2) is determined by single carrier devices and the time-of-flight technique. The results imply a low energetic disorder in these polymer layers. While the material was initially expected to be mainly amorphous, a detailed study of the photophysical properties of P(NDI2OD‑T2) shows that precursors of supramolecular assemblies (aggregates) are already formed in polymer solution. Quantum-chemical calculations support the occurring optical changes. NMR spectroscopy was applied to independently prove the formation of chain aggregates in commonly used organic solvents. The investigation of P(NDI2OD‑T2) solutions by analytical ultracentrifugation implies that aggregation mainly proceeds within single polymer chains by reduction of the hydrodynamic radius. To understand the influence of the chemical structure, pre-aggregation and crystal packing of conventional regioregular P(NDI2OD-T2) on the charge transport, the corresponding regioirregular polymer RI-P(NDI2OD-T2) was synthesized. By combining optical, X-ray, and transmission electron microscopy data, a quantitatively characterization of the aggregation, crystallization, and backbone orientation of all of the polymer films was possible, which was then correlated to the electron mobilities in electron-only diodes. The anisotropy of the charge transport along the different crystallographic directions is demonstrated and how the mobility depends on π-stacking but is insensitive to the degree or coherence of lamellar stacking. The comparison between the regioregular and regioirregular polymers also shows how the use of large planar functional groups leads to improved charge transport, with mobilities that are less affected by chemical and structural disorder with respect to classic semicrystalline polymers such as poly(3-hexylthiophene). KW - organische Halbleiter KW - Ladungstransport KW - Solarzellen KW - Polymere KW - Photophysik KW - organic semiconductor KW - charge transport KW - solar cells KW - polymers KW - photo physics Y1 - 2014 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-71413 ER - TY - JOUR A1 - Steyrleuthner, Robert A1 - Di Pietro, Riccardo A1 - Collins, Brian A. A1 - Polzer, Frank A1 - Himmelberger, Scott A1 - Schubert, Marcel A1 - Chen, Zhihua A1 - Zhang, Shiming A1 - Salleo, Alberto A1 - Ade, Harald W. A1 - Facchetti, Antonio A1 - Neher, Dieter T1 - The Role of Regioregularity, Crystallinity, and Chain Orientation on Electron Transport in a High-Mobility n-Type Copolymer JF - Journal of the American Chemical Society Y1 - 2014 U6 - https://doi.org/10.1021/ja4118736 SN - 0002-7863 VL - 136 IS - 11 SP - 4245 EP - 4256 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Talukder, Srijeeta A1 - Sen, Shrabani A1 - Chakraborti, Prantik A1 - Metzler, Ralf A1 - Banik, Suman K. A1 - Chaudhury, Pinaki T1 - Breathing dynamics based parameter sensitivity analysis of hetero-polymeric DNA JF - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr N2 - We study the parameter sensitivity of hetero-polymeric DNA within the purview of DNA breathing dynamics. The degree of correlation between the mean bubble size and the model parameters is estimated for this purpose for three different DNA sequences. The analysis leads us to a better understanding of the sequence dependent nature of the breathing dynamics of hetero-polymeric DNA. Out of the 14 model parameters for DNA stability in the statistical Poland-Scheraga approach, the hydrogen bond interaction epsilon(hb)(AT) for an AT base pair and the ring factor. turn out to be the most sensitive parameters. In addition, the stacking interaction epsilon(st)(TA-TA) for an TA-TA nearest neighbor pair of base-pairs is found to be the most sensitive one among all stacking interactions. Moreover, we also establish that the nature of stacking interaction has a deciding effect on the DNA breathing dynamics, not the number of times a particular stacking interaction appears in a sequence. We show that the sensitivity analysis can be used as an effective measure to guide a stochastic optimization technique to find the kinetic rate constants related to the dynamics as opposed to the case where the rate constants are measured using the conventional unbiased way of optimization. (c) 2014 AIP Publishing LLC. Y1 - 2014 U6 - https://doi.org/10.1063/1.4869112 SN - 0021-9606 SN - 1089-7690 VL - 140 IS - 12 PB - American Institute of Physics CY - Melville ER - TY - GEN A1 - Talukder, Srijeeta A1 - Sen, Shrabani A1 - Chakraborti, Prantik A1 - Metzler, Ralf A1 - Banik, Suman K. A1 - Chaudhury, Pinaki T1 - Breathing dynamics based parameter sensitivity analysis of hetero-polymeric DNA T2 - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr N2 - We study the parameter sensitivity of hetero-polymeric DNA within the purview of DNA breathing dynamics. The degree of correlation between the mean bubble size and the model parameters is estimated for this purpose for three different DNA sequences. The analysis leads us to a better understanding of the sequence dependent nature of the breathing dynamics of hetero-polymeric DNA. Out of the 14 model parameters for DNA stability in the statistical Poland-Scheraga approach, the hydrogen bond interaction epsilon(hb)(AT) for an AT base pair and the ring factor. turn out to be the most sensitive parameters. In addition, the stacking interaction epsilon(st)(TA-TA) for an TA-TA nearest neighbor pair of base-pairs is found to be the most sensitive one among all stacking interactions. Moreover, we also establish that the nature of stacking interaction has a deciding effect on the DNA breathing dynamics, not the number of times a particular stacking interaction appears in a sequence. We show that the sensitivity analysis can be used as an effective measure to guide a stochastic optimization technique to find the kinetic rate constants related to the dynamics as opposed to the case where the rate constants are measured using the conventional unbiased way of optimization. Y1 - 2014 U6 - https://doi.org/10.1063/1.4871297 SN - 0021-9606 SN - 1089-7690 VL - 140 IS - 14 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Tobie, G. A1 - Teanby, N. A. A1 - Coustenis, A. A1 - Jaumann, Ralf A1 - Raulin, E. A1 - Schmidt, J. A1 - Carrasco, N. A1 - Coates, Andrew J. A1 - Cordier, D. A1 - De Kok, R. A1 - Geppert, W. D. A1 - Lebreton, J. -P. A1 - Lefevre, A. A1 - Livengood, T. A. A1 - Mandt, K. E. A1 - Mitri, G. A1 - Nimmo, F. A1 - Nixon, C. A. A1 - Norman, L. A1 - Pappalardo, R. T. A1 - Postberg, F. A1 - Rodriguez, S. A1 - SchuizeMakuch, D. A1 - Soderblom, J. M. A1 - Solomonidou, A. A1 - Stephan, K. A1 - Stofan, E. R. A1 - Turtle, E. P. A1 - Wagner, R. J. A1 - West, R. A. A1 - Westlake, J. H. T1 - Science goals and mission concept for the future exploration of Titan and Enceladus JF - Planetary and space science KW - Titan KW - Enceladus KW - Atmosphere KW - Surface KW - Ocean KW - Interior KW - Missions Y1 - 2014 U6 - https://doi.org/10.1016/j.pss.2014.10.002 SN - 0032-0633 VL - 104 SP - 59 EP - 77 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Toeroek, T. A1 - Kliem, Bernhard A1 - Berger, M. A. A1 - Linton, M. G. A1 - Demoulin, Pascal A1 - van Driel-Gesztelyi, L. T1 - The evolution of writhe in kink-unstable flux ropes and erupting filaments JF - Plasma physics and controlled fusion N2 - The helical kink instability of a twisted magnetic flux tube has been suggested as a trigger mechanism for solar filament eruptions and coronal mass ejections (CMEs). In order to investigate if estimations of the pre-emptive twist can be obtained from observations of writhe in such events, we quantitatively analyze the conversion of twist into writhe in the course of the instability, using numerical simulations. We consider the line tied, cylindrically symmetric Gold-Hoyle flux rope model and measure the writhe using the formulae by Berger and Prior which express the quantity as a single integral in space. We find that the amount of twist converted into writhe does not simply scale with the initial flux rope twist, but depends mainly on the growth rates of the instability eigenmodes of higher longitudinal order than the basic mode. The saturation levels of the writhe, as well as the shapes of the kinked flux ropes, are very similar for considerable ranges of initial flux rope twists, which essentially precludes estimations of pre-eruptive twist from measurements of writhe. However, our simulations suggest an upper twist limit of similar to 6 pi for the majority of filaments prior to their eruption. KW - magnetohydrodynamics (MHD) KW - Sun: corona KW - Sun: filaments Y1 - 2014 U6 - https://doi.org/10.1088/0741-3335/56/6/064012 SN - 0741-3335 SN - 1361-6587 VL - 56 IS - 6 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Toeroek, T. A1 - Leake, J. E. A1 - Titov, Viacheslav S. A1 - Archontis, V. A1 - Mikic, Z. A1 - Linton, M. G. A1 - Dalmasse, K. A1 - Aulanier, Guillaume A1 - Kliem, Bernhard T1 - Distribution of electric currents in solar active regions JF - The astrophysical journal : an international review of spectroscopy and astronomical physics ; Part 2, Letters KW - magnetohydrodynamics (MHD) KW - Sun: corona KW - Sun: coronal mass ejections (CMEs) Y1 - 2014 U6 - https://doi.org/10.1088/2041-8205/782/1/L10 SN - 2041-8205 SN - 2041-8213 VL - 782 IS - 1 PB - IOP Publ. Ltd. CY - Bristol ER - TY - THES A1 - Trabant, Christoph T1 - Ultrafast photoinduced phase transitions in complex materials probed by time-resolved resonant soft x-ray diffraction T1 - Ultraschnelle lichtinduzierte Phasenübergänge in komplexen Materialien untersucht mit zeitaufgelöster resonanter Weichröntgenbeugung N2 - In processing and data storage mainly ferromagnetic (FM) materials are being used. Approaching physical limits, new concepts have to be found for faster, smaller switches, for higher data densities and more energy efficiency. Some of the discussed new concepts involve the material classes of correlated oxides and materials with antiferromagnetic coupling. Their applicability depends critically on their switching behavior, i.e., how fast and how energy efficient material properties can be manipulated. This thesis presents investigations of ultrafast non-equilibrium phase transitions on such new materials. In transition metal oxides (TMOs) the coupling of different degrees of freedom and resulting low energy excitation spectrum often result in spectacular changes of macroscopic properties (colossal magneto resistance, superconductivity, metal-to-insulator transitions) often accompanied by nanoscale order of spins, charges, orbital occupation and by lattice distortions, which make these material attractive. Magnetite served as a prototype for functional TMOs showing a metal-to-insulator-transition (MIT) at T = 123 K. By probing the charge and orbital order as well as the structure after an optical excitation we found that the electronic order and the structural distortion, characteristics of the insulating phase in thermal equilibrium, are destroyed within the experimental resolution of 300 fs. The MIT itself occurs on a 1.5 ps timescale. It shows that MITs in functional materials are several thousand times faster than switching processes in semiconductors. Recently ferrimagnetic and antiferromagnetic (AFM) materials have become interesting. It was shown in ferrimagnetic GdFeCo, that the transfer of angular momentum between two opposed FM subsystems with different time constants leads to a switching of the magnetization after laser pulse excitation. In addition it was theoretically predicted that demagnetization dynamics in AFM should occur faster than in FM materials as no net angular momentum has to be transferred out of the spin system. We investigated two different AFM materials in order to learn more about their ultrafast dynamics. In Ho, a metallic AFM below T ≈ 130 K, we found that the AFM Ho can not only be faster but also ten times more energy efficiently destroyed as order in FM comparable metals. In EuTe, an AFM semiconductor below T ≈ 10 K, we compared the loss of magnetization and laser-induced structural distortion in one and the same experiment. Our experiment shows that they are effectively disentangled. An exception is an ultrafast release of lattice dynamics, which we assign to the release of magnetostriction. The results presented here were obtained with time-resolved resonant soft x-ray diffraction at the Femtoslicing source of the Helmholtz-Zentrum Berlin and at the free-electron laser in Stanford (LCLS). In addition the development and setup of a new UHV-diffractometer for these experiments will be reported. N2 - In der Datenspeichertechnologie werden bisher hauptsächlich ferromagnetische Materialien eingesetzt. Da mit diesen aber physikalische Grenzen erreicht werden, werden neue Konzepte gesucht, um schnellere und kleinere Schalter, größere Datendichten und eine höherere Energieeffizienz zu erzeugen. Unter den diskutierten Materialklassen finden sich komplexen Übergangsmetalloxide und Materialien mit antiferromagnetischer Kopplung. Die Anwendbarkeit solcher Materialien hängt stark davon ab, wie schnell sich deren Eigenschaften verändern lassen und wieviel Energie dafür eingesetzt werden muss. Die vorliegende Arbeit beschäftigt sich mit ultraschnellen, Nicht-Gleichgewicht-Phasenübergängen genau in solchen Materialien. In Übergangsmetalloxiden führt die enge Kopplung zwischen den unterschiedlichen Freiheitsgraden zu einem effektiven niederenergetischen Anregungsspektrum. Diese Anregungen sind oft verknüpft mit spektakulären makroskopischen Eigenschaften, wie z.B. dem kolossalen Magnetowiderstand, Hochtemperatur-Supraleitung, Metall- Isolator-Übergang, die oft von nanoskaliger Ordnung von Spins, Ladungen, orbitaler Besetzung sowie Gitterverzerrungen begleitet sind. Dadurch werden diese Materialien interessant für Anwendbarkeit. Magnetit, ein Prototyp eines solchen funktionalen Materials zeigt einen Metall-Isolator-Übergang bei T = 123 K. Untersucht man die Ladungs- und orbitale Ordnung sowie die Struktur nach einer optischen Anregung, so findet man, dass die elektronische Struktur und Gitterverzerrung, die kennzeichnend für die Tieftemperaturphase sind, innerhalb der Zeitauflösung des Experiments von 300 fs zerstört wird. Der eigentliche Metall-Isolator-Übergang zeigt sich erst nach 1.5 ps. Die Ergebnisse zeigen, dass MITs in funktionalen Materialien bis zu tausend Mal schneller geschaltet werden können als in vorhandenen Halbleiter-Schaltern. Seit kurzem rücken auch ferrimagnetische und antiferromagnetische Materialen in den Fokus des Interesses. Es wurde im Ferrimagnet GdFeCo gezeigt, dass der Transfer von Drehimpuls zwischen zwei entgegengesetzten Subsystemen mit unterschiedlichen Zeitkonstanten zu einem Umschalten der Magnetisierung führt. Zudem wurde vorhergesagt, dass Demagnetisierungsdynamiken in antiferromagnetischen Materialien schneller ablaufen soll als in ferromagnetischen, da kein Drehimpuls aus dem Spinsystem abgeführt werden muss. Damit wir mehr über antiferromagnetische Dynamik erfahren haben wir zwei unterschiedliche Antiferromagneten untersucht, um sie mit den bekannten FM zu vergleichen. Im metallischen AFM Holmium fanden wir, dass die magnetische Ordnung schneller und zehnmal energieeffizienter zerstört werden kann als in vergleichbaren FM Metallen. In Europium-Tellurid, einem antiferromagnetischem Halbleiter, haben wir den Zerfall der magnetischen Ordnung im Hinblick auf Wechselwirkungen mit der Struktur untersucht. Wir fanden auf kurzen Zeitskalen eine eher entkoppelte Dynamik. Eine Ausnahme ist ein schneller Beitrag zur Gitterdynamik, den wir mit dem Wegfall von Magnetostriktion erklären. Die hier gezeigten Ergebnisse wurden mit Hilfe zeitaufgelöster resonanter weicher Röntgenbeugung an der Femtoslicing Strahlungsquelle des Helmholtz-Zentrums Berlin und am freien Elektronenlaser LCLS gemessen. Zusätzlich wird über die Entwicklung und den Bau eines UHV-Diffraktometers für diese Experimente berichtet. KW - Ultraschnell KW - Weichröntgenbeugung KW - nichtgleichgewichts Dynamik KW - Phasenübergänge KW - Antiferromagnetisch KW - Ultrafast KW - soft x-ray diffraction KW - photoinduced dynamics KW - phase transitions KW - antiferromagnetic Y1 - 2014 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-71377 ER - TY - JOUR A1 - Tremel, Kim A1 - Fischer, Florian S. U. A1 - Kayunkid, Navaphun A1 - Di Pietro, Riccardo A1 - Tkachov, Roman A1 - Kiriy, Anton A1 - Neher, Dieter A1 - Ludwigs, Sabine A1 - Brinkmann, Martin T1 - Charge transport anisotropy in highly oriented thin films of the acceptor polymer P(NDI2OD-T2) JF - dvanced energy materials N2 - The nanomorphology of the high mobility polymer poly{[N,N'-bis(2-octyldodecyl)-1,4,5,8-naphthalenedicarboximide-2,6-diyl]-alt-5,5'-(2,2'-bithiophene)} P(NDI2OD-T2) in thin films is explored as a function of different annealing conditions and correlated to optical and electrical properties. While nanofibrils with face-on orientation in form I are obtained directly after spin-coating and annealing below the melt transition temperature, clear evidence of lamellar structures is found after melt-annealing followed by slow cooling to room temperature. Interestingly these structural changes are accompanied by distinct changes in the absorption patterns. Electron diffraction measurements further show clear transitions towards predominant edge-on oriented chains in form II upon melt-annealing. Large-scale alignment with dichroic ratios up to 10 and improved order is achieved by high temperature rubbing and subsequent post-rubbing annealing. These highly oriented morphologies allow anisotropic in-plane charge transport to be probed with top-gate transistors parallel and perpendicular to the polymer chain direction. Mobilities up to 0.1 cm(2) V-1 s(-1) are observed parallel to the polymer chain, which is up to 10 times higher than those perpendicular to the polymer chain. Y1 - 2014 U6 - https://doi.org/10.1002/aenm.201301659 SN - 1614-6832 SN - 1614-6840 VL - 4 IS - 10 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Tu, Rui A1 - Wang, Li T1 - Real-time coseismic wave retrieving by integrated Kalman filter with observations of GPS, Glonass and strong-motion sensor JF - Advances in space research N2 - A method of real-time coseismic wave retrieving was proposed based on the tight integration of GPS, Glonass and strong-motion sensor observations, the validation and precision analysis have been made by an experimental data. The series of results have been shown that: by the integrated Kalman filter and multi-sensors, the coseismic waves can be optimally recovered by complement the advantages of each other, especially when the observation conditions are very bad. In additional, the results are not significantly effected by different receiver clock error processes for the integration solution. KW - GPS and Glonass KW - Strong-motion sensor KW - Baseline shift KW - Integrated Kalman filter KW - Real-time earthquake monitoring and early warning Y1 - 2014 U6 - https://doi.org/10.1016/j.asr.2013.10.011 SN - 0273-1177 SN - 1879-1948 VL - 53 IS - 1 SP - 130 EP - 137 PB - Elsevier CY - Oxford ER - TY - JOUR A1 - Tönjes, Ralf A1 - Sokolov, Igor M. A1 - Postnikov, Eugene B. T1 - Spectral properties of the fractional Fokker-Planck operator for the Levy flight in a harmonic potential JF - The European physical journal N2 - We present a detailed analysis of the eigenfunctions of the Fokker-Planck operator for the LevyOrnstein- Uhlenbeck process, their asymptotic behavior and recurrence relations, explicit expressions in coordinate space for the special cases of the Ornstein-Uhlenbeck process with Gaussian and with Cauchy white noise and for the transformation kernel, which maps the fractional Fokker-Planck operator of the Cauchy-Ornstein-Uhlenbeck process to the non-fractional Fokker-Planck operator of the usual Gaussian Ornstein-Uhlenbeck process. We also describe how non-spectral relaxation can be observed in bounded random variables of the Levy-Ornstein-Uhlenbeck process and their correlation functions. Y1 - 2014 U6 - https://doi.org/10.1140/epjb/e2014-50558-5 SN - 1434-6028 SN - 1434-6036 VL - 87 IS - 12 PB - Springer CY - New York ER - TY - JOUR A1 - van Driel-Gesztelyi, L. A1 - Baker, Daniel N. A1 - Toeroek, T. A1 - Pariat, E. A1 - Green, L. M. A1 - Williams, D. R. A1 - Carlyle, J. A1 - Valori, G. A1 - Demoulin, Pascal A1 - Kliem, Bernhard A1 - Long, D. M. A1 - Matthews, S. A. A1 - Malherbe, J. -M. T1 - Coronal magnetic reconnection driven by CME expansion-the 2011 June 7 event JF - The astrophysical journal : an international review of spectroscopy and astronomical physics N2 - Coronal mass ejections (CMEs) erupt and expand in a magnetically structured solar corona. Various indirect observational pieces of evidence have shown that the magnetic field of CMEs reconnects with surrounding magnetic fields, forming, e.g., dimming regions distant from the CME source regions. Analyzing Solar Dynamics Observatory (SDO) observations of the eruption from AR 11226 on 2011 June 7, we present the first direct evidence of coronal magnetic reconnection between the fields of two adjacent active regions during a CME. The observations are presented jointly with a data-constrained numerical simulation, demonstrating the formation/intensification of current sheets along a hyperbolic flux tube at the interface between the CME and the neighboring AR 11227. Reconnection resulted in the formation of new magnetic connections between the erupting magnetic structure from AR 11226 and the neighboring active region AR 11227 about 200 Mm from the eruption site. The onset of reconnection first becomes apparent in the SDO/AIA images when filament plasma, originally contained within the erupting flux rope, is redirected toward remote areas in AR 11227, tracing the change of large-scale magnetic connectivity. The location of the coronal reconnection region becomes bright and directly observable at SDO/AIA wavelengths, owing to the presence of down-flowing cool, dense (1010 cm(-3)) filament plasma in its vicinity. The high-density plasma around the reconnection region is heated to coronal temperatures, presumably by slow-mode shocks and Coulomb collisions. These results provide the first direct observational evidence that CMEs reconnect with surrounding magnetic structures, leading to a large-scale reconfiguration of the coronal magnetic field. KW - magnetic reconnection KW - magnetohydrodynamics (MHD) KW - Sun: corona KW - Sun: coronal mass ejections (CMEs) KW - Sun: magnetic fields KW - Sun: UV radiation Y1 - 2014 U6 - https://doi.org/10.1088/0004-637X/788/1/85 SN - 0004-637X SN - 1538-4357 VL - 788 IS - 1 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Vandewal, Koen A1 - Albrecht, Steve A1 - Hoke, Eric T. A1 - Graham, Kenneth R. A1 - Widmer, Johannes A1 - Douglas, Jessica D. A1 - Schubert, Marcel A1 - Mateker, William R. A1 - Bloking, Jason T. A1 - Burkhard, George F. A1 - Sellinger, Alan A1 - Frechet, Jean M. J. A1 - Amassian, Aram A1 - Riede, Moritz K. A1 - McGehee, Michael D. A1 - Neher, Dieter A1 - Salleo, Alberto T1 - Efficient charge generation by relaxed charge-transfer states at organic interfaces JF - Nature materials N2 - carriers on illumination. Efficient organic solar cells require a high yield for this process, combined with a minimum of energy losses. Here, we investigate the role of the lowest energy emissive interfacial charge-transfer state (CT1) in the charge generation process. We measure the quantum yield and the electric field dependence of charge generation on excitation of the charge-transfer (CT) state manifold viaweakly allowed, low-energy optical transitions. For a wide range of photovoltaic devices based on polymer: fullerene, small-molecule:C-60 and polymer: polymer blends, our study reveals that the internal quantum efficiency (IQE) is essentially independent of whether or not D, A or CT states with an energy higher than that of CT1 are excited. The best materials systems show an IQE higher than 90% without the need for excess electronic or vibrational energy. Y1 - 2014 U6 - https://doi.org/10.1038/NMAT3807 SN - 1476-1122 SN - 1476-4660 VL - 13 IS - 1 SP - 63 EP - 68 PB - Nature Publ. Group CY - London ER - TY - JOUR A1 - Vlasov, Vladimir A1 - Macau, Elbert E. N. A1 - Pikovskij, Arkadij T1 - Synchronization of oscillators in a Kuramoto-type model with generic coupling JF - Chaos : an interdisciplinary journal of nonlinear science N2 - We study synchronization properties of coupled oscillators on networks that allow description in terms of global mean field coupling. These models generalize the standard Kuramoto-Sakaguchi model, allowing for different contributions of oscillators to the mean field and to different forces from the mean field on oscillators. We present the explicit solutions of self-consistency equations for the amplitude and frequency of the mean field in a parametric form, valid for noise-free and noise-driven oscillators. As an example, we consider spatially spreaded oscillators for which the coupling properties are determined by finite velocity of signal propagation. (C) 2014 AIP Publishing LLC. Y1 - 2014 U6 - https://doi.org/10.1063/1.4880835 SN - 1054-1500 SN - 1089-7682 VL - 24 IS - 2 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Wendt, Martin T1 - Constraints on variations of m(p)/m(e) based on UVES observations of H-2 JF - Astronomische Nachrichten = Astronomical notes N2 - This article summarizes the latest results on the proton-to-electron mass ratio derived from H-2 observations at high redshift in the light of possible variations of fundamental physical constants. The focus lies on UVES observations of the past years as enormous progress was achieved since the first positive results on / were published. With the better understanding of systematics, dedicated observation runs, and numerous approaches to improve wavelength calibration accuracy, all current findings are in reasonable good agreement with no variation and provide an upper limit of / < 1 x 10(-5) for the redshift range of 2 < z < 3. (( KW - cosmology: observations KW - early Universe KW - quasars: absorption lines Y1 - 2014 U6 - https://doi.org/10.1002/asna.201312008 SN - 0004-6337 SN - 1521-3994 VL - 335 IS - 1 SP - 106 EP - 112 PB - Wiley-VCH CY - Weinheim ER -