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During RUN3 (2021-2023) of the Large Hadron Collider, the Time Projection Chamber (TPC) of ALICE will be operated with quadruple stacks of Gas Electron Multipliers (GEMs). This technology will allow to overcome the rate limitation due to the gated operation of the Multi-Wire Proportional Chambers (MWPCs) used in RUN1 (2009-2013) and RUN2 (2015-2018).
As part of the Upgrade project, long-term irradiation tests, so called "ageing tests", have been carried out. A test setup with a detector using a quadruple stack of 10x10cm2 GEMs was built and operated in Ar-CO2 and Ne-CO2-N2 gas mixtures. The detector performance such as gas gain and energy resolution were monitored continuously. In addition, outgassing tests of materials used for the assembly process of the upgraded TPC were performed. To reach the expected dose of the GEM-based TPC, the detector was operated at much higher gains than the TPC. It was found, that the GEMs could keep their performance within the projected lifetime of the TPC. Most of the tested materials showed no negative impact on the detector. For the tested epoxy adhesive no certain conclusion could be drawn.
At much higher doses than expected for the upgraded TPC, a new phenomenon was observed, which changed the hole geometry of the GEMs and led to a degradation of the energy resolution. Even though its occurrence is not expected during the lifetime of the GEM-based TPC, simulations were carried out to study this effect more systematically. The simulations confirmed, that a change of the hole geometries of the GEMs, lead to an increase of the local gain variation, which results in a decrease of the energy resolution.
Furthermore the effect of methane as quench gas on GEMs was studied, even though this gas is not foreseen to be used in the TPC. From ageing tests with single-wire proportional counters it is well known that hydrocarbons are produced in the plasma of the avalanches, which cover the electrodes and lead to a degradation of the detector performance. Even though GEMs have a quite different geometry, the ageing tests showed, that also this technology tends to methane-induced ageing. A loss of gas gain as well as a degradation of the energy resolution due to deposits on the electrodes was monitored. A qualitative and quantitative comparison between ageing in GEMs and proportional counters was performed.
The main focus of research in the field of high-energy heavy-ion physics is the study of the quark-gluon plasma (QGP). Topic of the present work is the measurement of electron-positron pairs (dielectrons), which grant direct access to some of the key properties of this state of matter, since after their formation they leave the hot and dense medium without significant interaction. In particular, the measurement of the initial QGP temperature is considered a "holy grail" of heavy-ion physics. Therefore, in addition to the analysis of existing data, a feasibility study has been conducted to determine to which extent this goal would be achievable by upgrading the ALICE experiment at CERN.
Dielectrons are produced during all stages of a heavy-ion collision, with their invariant mass reflecting the amount of energy available at the time of their formation. Dielectrons of highest mass are thus produced in the initial scatterings of the colliding nuclei by quark-antiquark annihilation. Correlated electron-positron pairs can also emerge from the decay chains of early-produced pairs of heavy-flavour (HF) particles. During the QGP stage and at the beginning of the hadronic phase, the system emits thermal radiation in the form of photons and dielectrons, which carry information about the medium temperature to the observer. In the final stage of the collision, decays of light-flavour (LF) hadrons produce additional contributions to the dielectron spectrum.
The present work is based on early data from the ALICE experiment recorded from lead-lead collisions at a center-of-mass energy of 2.76 TeV. Due to the limited amount of data, a focus is placed on achieving high efficiencies throughout the analysis. To this end, a special electron identification strategy is developed and a custom track selection applied, together resulting in a tenfold increase in pair efficiency. The dielectron spectrum is evaluated on a statistical basis, using a pair prefilter, which is optimized based on two signal quality criteria, to reduce the fraction of electrons and positrons from unwanted sources at minimum signal loss. In addition, an artifact of the track reconstruction is exploited to suppress pairs from photon conversions and to correct the dielectron yield for a contribution from different-conversion pairs. The main signal uncertainty is extracted from the deviation between results of 20 analysis settings and amounts to 20% in most of the studied kinematic range.
For comparison with the analysis results, a hadronic cocktail consisting of the LF and HF contributions is simulated, which can reasonably well describe the measured dielectron production, with a hint of an enhancement at low invariant mass. Two approaches to model the in-medium modification of the heavy-flavour are followed, resulting in up to 50% suppression, which creates some additional space for a thermal contribution at intermediate mass.
For a complete comparison between experimental data and theoretical expectation, two model calculations are consulted. The Thermal Fireball Model provides predictions for thermal dielectron radiation from the QGP and hadron gas. The data tends to be better described with these additional thermal contributions. For a comparison with a prediction by the UrQMD model, the HF component of the cocktail is subtracted from the data. This results in better agreement if the HF suppression by in-medium effects is taken into account.
The feasibility study in this work has served as a physical motivation for the ALICE upgrade for LHC Run 3. The precision with which the early temperature of the QGP can be determined via dielectrons is chosen as key observable. A multitude of individual contributions are merged into a fully modeled dielectron analysis. The resulting signal-to-background ratio represents some of the expected systematic uncertainties, while from the significance combined with the planned number of lead-lead collisions a realistic "measurement" with statistical fluctuations around the expected dielectron signal is generated using a Poisson sampling technique. Since the HF yield exceeds the QGP thermal radiation by about an order of magnitude, an additional analysis step exploiting the enhanced track reconstruction is introduced to reduce its contribution by up to a factor of five. The resulting reduction in pair efficiency is overcompensated by an up to hundred times higher collision rate. The entire cocktail is then subtracted from the sampled data to isolate the thermal excess yield. The final analysis of this spectrum shows that the inverse slope of the model prediction, which depends directly on the QGP temperature, can be reproduced within statistical and systematic uncertainties of about 10%.
The promising results of this study have contributed on the one hand to the realization of the ALICE upgrade and to a design decision for the new Inner Tracking System, and at the same time represent exciting predictions for upcoming measurements.
Das Feld der Hochenergie-Schwerionenforschung hat sich der Untersuchung des Quark-Gluon-Plasmas (QGP) gewidmet. Ein QGP ist ein sehr heißer und dichter Materiezustand, der kurz nach dem Urknall für einige Mikrosekunden das Universum füllte. Unter diesen extremen Bedingungen sind die fundamentalen Bausteine der Materie, die Quarks und Gluonen, quasi frei, also nicht in Hadronen eingeschlossen, wie es unter normalen Bedingungen der Fall ist. Hadronen sind Teilchen, die aus Quarks und Gluonen bestehen. Die bekanntesten Hadronen sind Protonen und Neutronen, die Bestandteile von Atomkernen, aus denen, zusammen mit Elektronen, die gesamte bekannte Materie aufgebaut ist.
Um ein QGP im Labor zu erzeugen, lässt man ultrarelativistische schwere Ionen, wie zum Beispiel Pb-208-Kerne, aufeinander prallen. Dies geschieht am CERN, dem größten Kernforschungszentrum der Welt. Der Teilchenbeschleuniger, welcher Protonen und Pb-Kerne beschleunigt und zur Kollision bringt, heißt Large Hadron Collider (LHC) und ist mit 27 km Umfang der größte der Welt. Bei einer einzigen Pb-Pb Kollision am LHC werden mehrere Tausend Teilchen und Antiteilchen erzeugt. Das dedizierte Experiment zur Untersuchung von Schwerionenkollisionen am LHC ist ALICE. ALICE ist mit mehreren Teilchendetektoren ausgerüstet, die es ermöglichen, tausende Teilchen gleichzeitig zu messen und zu identifizieren.
Unter den produzierten Teilchen befinden sich auch leichte Atomkerne, wenngleich diese nur sehr selten erzeugt werden. Die Anzahl der produzierten Teilchen pro Teilchensorte hängt nämlich von deren Masse ab. In Pb-Pb Kollisionen am LHC sinkt die Anzahl der produzierten (Anti)kerne exponentiell um einen Faktor 1/330 bei Hinzufügen jedes weiteren Nukleons. Die Menge an produzierten Teilchen pro Spezies stellt Informationen über den Produktionsmechanismus beim Übergang vom QGP zum Hadrongas zur Verfügung. Hierbei sind leichte (Anti)kerne von besonderem Interesse, da sie vergleichsweise groß sind und ihre Bindungsenergie bis zu zwei Größenordnungen kleiner ist als die Temperaturen, die bei der Erzeugung der Hadronen vorherrschen. Es ist bis heute noch nicht verstanden, wie leichte (Anti)kerne bei diesen Bedingungen erzeugt werden und überleben können.
Für diese Arbeit wurden ca. 270 Millionen Pb-Pb Kollisionen bei einer Schwerpunktsenergie von 5,02 TeV, die von ALICE im November 2018 aufgezeichnet wurden, analysiert. Es wurde die Produktion von (Anti)triton und (Anti)alpha untersucht. Wegen ihrer großen Masse werden beide Kerne sehr selten produziert, bei weitem nicht bei jeder Kollision. Antialpha ist der schwerste Antikern, der jemals gemessen wurde. Aufgrund dieser Seltenheit ist die Größe des zur Verfügung stehenden Datensatzes entscheidend. Es war möglich, das erste jemals gemessene Antialpha-Transversalimpulsspektrum zu extrahieren. Auch für (Anti)triton und Alpha wurden Transversalimpulsspektren bestimmt.
Die Ergebnisse wurden mit theoretischen Modellen und anderen ALICE Messungen verglichen.
Am Ende wird in einem Ausblick auf das kürzlich durchgeführte Upgrade der ALICE Spurendriftkammer (TPC) eingegangen. In der nächsten, bald startenden Datennahmeperiode wird der LHC seine Kollisionsrate erheblich erhöhen, was es ermöglichen wird, mehr als 100 mal so viele Daten wie bisher aufzuzeichnen. Hiervon werden die in dieser Arbeit beschriebenen (Anti)triton- und (Anti)alpha-Analysen beachtlich profitieren. Um mit den erheblich höheren Kollisionsraten zurecht zu kommen, mussten einige Detektoren, unter anderem die TPC, maßgeblich erneuert werden. In den ersten beiden Datennahmeperioden wurde die TPC mit Vieldrahtproportionalkammern betrieben. Diese sind allerdings viel zu langsam für die geplanten Kollisionsraten. Deshalb wurden sie im Jahr 2019, während einer langen Betriebspause des LHC, durch Quadrupel-GEM (Gas Electron Multiplier) Folien basierte Auslesekammern ersetzt, welche eine kontinuierliche Auslese der TPC ermöglichen. Da es sich um die erste jemals gebaute GEM TPC im Großformat handelt, war ein umfangreiches Forschungs- und Entwicklungs- (F&E) Programm notwendig, um die GEM Auslesekammern zu charakterisieren und zu testen. Im Rahmen dieses F&E Programms wurden am Anfang dieser Promotion systematische Messungen an einer kleinen Test TPC mit Quadrupel-GEM Auslese, die extra zu diesem Zweck gebaut worden war, durchgeführt. Hierbei wurde der Rückfluss der bei der Gasverstärkung erzeugten Ionen in das Driftvolumen der TPC und die Energieauflösung mit verschiedenen GEM Folien Typen und unterschiedlicher Anordnung gemessen. Das Ziel war, möglichst kleine Ionenrückflüsse bei möglichst guter Energieauflösung zu erreichen. Hierbei musste ein Kompromiss gefunden werden, da die beiden Größen sich gegenläufig verhalten. Es war jedoch möglich, mit mehreren GEM Konfigurationen Spannungseinstellungen zu identifizieren, bei denen beide Größen den gewünschten Anforderungen entsprachen.
In this paper, we present an experimental and theoretical study of excitation processes for the heaviest stable helium-like ion, that is, He-like uranium occurring in relativistic collisions with hydrogen and argon targets. In particular, we concentrate on angular distributions of the characteristic Kα radiation following the K → L excitation of He-like uranium. We pay special attention to the magnetic sub-level population of the excited 1s2lj states, which is directly related to the angular distribution of the characteristic Kα radiation. We show that the experimental data can be well described by calculations taking into account the excitation by the target nucleus as well as by the target electrons. Moreover, we demonstrate for the first time an important influence of the electron-impact excitation process on the angular distributions of the Kα radiation produced by excitation of He-like uranium in collisions with different targets.
Radon adsorption in charcoal
(2021)
Radon is pervasive in our environment and the second leading cause of lung cancer induction after smoking. Therefore, the measurement of radon activity concentrations in homes is important. The use of charcoal is an easy and cost-efficient method for this purpose, as radon can bind to charcoal via Van der Waals interaction. Admittedly, there are potential influencing factors during exposure that can distort the results and need to be investigated. Consequently, charcoal was exposed in a radon chamber at different parameters. Afterward, the activity of the radon decay products 214Pb and 214Bi was measured and extrapolated to the initial radon activity in the sample. After an exposure of 1 h, around 94% of the maximum value was attained and used as a limit for the subsequent exposure time. Charcoal was exposed at differing humidity ranging from 5 to 94%, but no influence on radon adsorption could be detected. If the samples were not sealed after exposure, radon desorbed with an effective half-life of around 31 h. There is also a strong dependence of radon uptake on the chemical structure of the recipient material, which is interesting for biological materials or diffusion barriers as this determines accumulation and transport.
Presolar grains and their isotopic compositions provide valuable constraints to AGB star nucleosynthesis. However, there is a sample of O- and Al-rich dust, known as group 2 oxide grains, whose origin is difficult to address. On the one hand, the 17O/16O isotopic ratios shown by those grains are similar to the ones observed in low-mass red giant stars. On the other hand, their large 18O depletion and 26Al enrichment are challenging to account for. Two different classes of AGB stars have been proposed as progenitors of this kind of stellar dust: intermediate mass AGBs with hot bottom burning, or low mass AGBs where deep mixing is at play. Our models of low-mass AGB stars with a bottom-up deep mixing are shown to be likely progenitors of group 2 grains, reproducing together the 17O/16O, 18O/16O and 26Al/27Al values found in those grains and being less sensitive to nuclear physics inputs than our intermediate-mass models with hot bottom burning.
Predicting the cumulative medical load of COVID-19 outbreaks after the peak in daily fatalities
(2021)
The distinct ways the COVID-19 pandemic has been unfolding in different countries and regions suggest that local societal and governmental structures play an important role not only for the baseline infection rate, but also for short and long-term reactions to the outbreak. We propose to investigate the question of how societies as a whole, and governments in particular, modulate the dynamics of a novel epidemic using a generalization of the SIR model, the reactive SIR (short-term and long-term reaction) model. We posit that containment measures are equivalent to a feedback between the status of the outbreak and the reproduction factor. Short-term reaction to an outbreak corresponds in this framework to the reaction of governments and individuals to daily cases and fatalities. The reaction to the cumulative number of cases or deaths, and not to daily numbers, is captured in contrast by long-term reaction. We present the exact phase space solution of the controlled SIR model and use it to quantify containment policies for a large number of countries in terms of short and long-term control parameters. We find increased contributions of long-term control for countries and regions in which the outbreak was suppressed substantially together with a strong correlation between the strength of societal and governmental policies and the time needed to contain COVID-19 outbreaks. Furthermore, for numerous countries and regions we identified a predictive relation between the number of fatalities within a fixed period before and after the peak of daily fatality counts, which allows to gauge the cumulative medical load of COVID-19 outbreaks that should be expected after the peak. These results suggest that the proposed model is applicable not only for understanding the outbreak dynamics, but also for predicting future cases and fatalities once the effectiveness of outbreak suppression policies is established with sufficient certainty. Finally, we provide a web app (https://itp.uni-frankfurt.de/covid-19/) with tools for visualising the phase space representation of real-world COVID-19 data and for exporting the preprocessed data for further analysis.
Recurrent cortical networks provide reservoirs of states that are thought to play a crucial role for sequential information processing in the brain. However, classical reservoir computing requires manual adjustments of global network parameters, particularly of the spectral radius of the recurrent synaptic weight matrix. It is hence not clear if the spectral radius is accessible to biological neural networks. Using random matrix theory, we show that the spectral radius is related to local properties of the neuronal dynamics whenever the overall dynamical state is only weakly correlated. This result allows us to introduce two local homeostatic synaptic scaling mechanisms, termed flow control and variance control, that implicitly drive the spectral radius toward the desired value. For both mechanisms the spectral radius is autonomously adapted while the network receives and processes inputs under working conditions. We demonstrate the effectiveness of the two adaptation mechanisms under different external input protocols. Moreover, we evaluated the network performance after adaptation by training the network to perform a time-delayed XOR operation on binary sequences. As our main result, we found that flow control reliably regulates the spectral radius for different types of input statistics. Precise tuning is however negatively affected when interneural correlations are substantial. Furthermore, we found a consistent task performance over a wide range of input strengths/variances. Variance control did however not yield the desired spectral radii with the same precision, being less consistent across different input strengths. Given the effectiveness and remarkably simple mathematical form of flow control, we conclude that self-consistent local control of the spectral radius via an implicit adaptation scheme is an interesting and biological plausible alternative to conventional methods using set point homeostatic feedback controls of neural firing.
High-energy astrophysics plays an increasingly important role in the understanding of our universe. On one hand, this is due to ground-breaking observations, like the gravitational-wave detections of the LIGO and Virgo network or the black-hole shadow observations of the EHT collaboration. On the other hand, the field of numerical relativity has reached a level of sophistication that allows for realistic simulations that include all four fundamental forces of nature. A prime example of how observations and theory complement each other can be seen in the studies following GW170817, the first detection of gravitational waves from a binary neutron-star merger. The same detection is also the chronological starting point of this Thesis. The plethora of information and constraints on nuclear physics derived from GW170817 in conjunction with theoretical computations will be presented in the first part of this Thesis. The second part goes beyond this detection and prepares for future observations when also the high-frequency postmerger signal will become detectable. Specifically, signatures of a quark-hadron phase transition are discussed and the specific case of a delayed phase transition is analyzed in detail. Finally, the third part of this Thesis focuses on the inclusion of radiative transport in numerical astrophysics. In the context of binary neutron-star mergers, radiation in the form of neutrinos is crucial for realistic long-term simulations. Two methods are introduced for treating radiation: the approximate state-of-the-art two-moment method (M1) and the recently developed radiative Lattice-Boltzmann method. The latter promises
to be more accurate than M1 at a comparable computational cost. Given that most methods for radiative transport or either inaccurate or unfeasible, the derivation of this new method represents a novel and possibly paradigm-changing contribution to an accurate inclusion of radiation in numerical astrophysics.
Based on recent perturbative and non-perturbative lattice calculations with almost quark flavors and the thermal contributions from photons, neutrinos, leptons, electroweak particles, and scalar Higgs bosons, various thermodynamic quantities, at vanishing net-baryon densities, such as pressure, energy density, bulk viscosity, relaxation time, and temperature have been calculated up to the TeV-scale, i.e., covering hadron, QGP, and electroweak (EW) phases in the early Universe. This remarkable progress motivated the present study to determine the possible influence of the bulk viscosity in the early Universe and to understand how this would vary from epoch to epoch. We have taken into consideration first- (Eckart) and second-order (Israel–Stewart) theories for the relativistic cosmic fluid and integrated viscous equations of state in Friedmann equations. Nonlinear nonhomogeneous differential equations are obtained as analytical solutions. For Israel–Stewart, the differential equations are very sophisticated to be solved. They are outlined here as road-maps for future studies. For Eckart theory, the only possible solution is the functionality, H(a(t)), where H(t) is the Hubble parameter and a(t) is the scale factor, but none of them so far could to be directly expressed in terms of either proper or cosmic time t. For Eckart-type viscous background, especially at finite cosmological constant, non-singular H(t) and a(t) are obtained, where H(t) diverges for QCD/EW and asymptotic EoS. For non-viscous background, the dependence of H(a(t)) is monotonic. The same conclusion can be drawn for an ideal EoS. We also conclude that the rate of decreasing H(a(t)) with increasing a(t) varies from epoch to epoch, at vanishing and finite cosmological constant. These results obviously help in improving our understanding of the nucleosynthesis and the cosmological large-scale structure.
An investigation of photoelectron angular distributions and circular dichroism of chiral molecules
(2021)
The present work demonstrates the capability of several type of molecular frame photoelectron angular distributions (MFPADs) and their linked chiroptical phenomenon the photoelectron circular dichroism (PECD) to map in great detail the molecular geometry of polyatomic chiral molecules as a function of photoelectron energy. To investigate the influence of the molecular potential on the MFPADs, two chiral molecules were selected, namely 2-(methyl)oxirane (C3H6O, MOx, m = 58,08 uma) and 2-(trifluoromethyl)oxirane (C3H3F3O, TFMOx, m = 112,03 uma). The two molecules differs in one substitutional group and share an oxirane group where the O(1s) electron was directly photoionized with the use of synchrotron radiation in the soft X-ray regime. The direct photoionization of the K-shell electron is well localized in the molecule and it induces the ejection of two or more electrons; the excited system separates into several charged (and eventually neutral) fragments which undergo Coulomb explosion due to their charges. The electrons and the fragments were detected using the COLd Target Recoil Ion Momentum Spectroscopy (COLTRIMS) and the momentum vectors calculated for each fragment belonging from a single ionization. The former method gives the possibility to post-orient molecules in space, giving access to the molecular frame, thus the MFPAD and its related PECD for multiple light propagation direction.
Stereochemistry (from the Greek στερεο- stereo- meaning solid) refers to chemistry in three dimensions. Since most molecules show a three-dimensional structure (3D), stereochemistry pervades all fields of chemistry and biology, and it is an essential point of view for the understanding of chemical structure, molecular dynamics and molecular reactions. The understanding of the chemistry of life is tightly bounded with major discoveries in stereochemistry, which triggered tremendous technical advancements, making it a flourishing field of research since its revolutionary introduction in late 18th century. In chemistry, chirality is a brunch of stereochemistry which focuses on objects with the peculiar geometrical property of not being superimposable to their mirror-images. The word chirality is derived from the Greek χειρ for “hand”, and the first use of this term in chemistry is usually attributed to Lord Kelvin who called during a lecture at the Oxford University Junior Scientific Club in 1893 “any geometrical figure, or group of points, “chiral”, and say that it has chirality if its image in a plane mirror, ideally realized, cannot be brought to coincide with itself.”. Although the latter is usually considered as the birth of the word chirality, the concept underlying it was already present in several fields of science (above all mathematics), already proving the already multidisciplinary relevance of chirality across many field of science and beyond. Nature shows great examples of chiral symmetry on all scales. Empirically, it is possible to observe it at macroscopic scale (e.g. distribution of rotations of galaxies), down to the microscopic scale (e.g. structure of some plankton species), but it is at the molecular level where the number gets remarkable: most of the pharmaceutical drugs, food fragrances, pheromones, enzymes, amino acids and DNA molecules, in fact, are chiral. Moreover, the concept of chirality goes far beyond the mere spatial symmetry of objects being crucially entangled with the fundamental properties of physical forces in nature. The symmetry breaking, namely the different physical behaviour of a two chiral systems upon the same stimuli, is considered to be one of the best explanation for the long standing questions of homochirality in biological life, and ultimately to the chemical origin of life on Earth as we know it. Our organism shows high enantio-selectivity towards specific compounds ranging from drugs, to fragrances. Over 800 odour molecules commonly used in food and fragrance industries have been identified as chiral and their enantiomeric forms are perceived to have very different smells, as the well-know example of D- and L- limonene. Similarly, responses to pharmaceuticals drugs can be enantiomer specific, and in fact about 60 % the drugs currently on the market are chiral compounds, and nearly 90 % of them are sold as racemates. The same degree of enantio-selectivity is observed in the communications systems of plants and insects. Plants produce lipophilic liquids with high vapour pressure called plant volatiles (PVs) which are synthesized via different enzymes called tarpene synthases that are usually chiral. Chiral molecules and chiral effects have a strong impact on all the fields of science with exciting developments ranging from stereo-selective synthesis based on heterogeneous enantioselective catalysis, to optoelctronics, to photochemical asymmetric synthesis, and chiral surface science, just to cite a few.
Chiral molecules come in two forms called enantiomers. Their almost identical chemical and physical properties continue to pose technical challenges concerning the resolution of racemic mixtures, the determination of the enantiomeric excess, and the direct determination of the absolute configuration of an enantiomer. ...
This thesis deals with the phenomenology of QCD matter, its aspects in heavy ion collisions and in neutron stars. The first half of the work focuses on the hadronic phase of QCD matter. One focus is on how the hadronic phase shows itself in heavy ion collisions and how its dynamics can be simulated. The role of hadronic interactions is considered in the context of the lattice QCD data. The second part of this thesis presents a unified approach to QCD matter, the CMF model. The CMF model incorporates many aspects of QCD phenomenology which allows for a consistent description of the hadron-quark transition, making it applicable to the entire QCD phase diagram, i.e., to the cold nuclear matter and to the hot QCD matter. It is shown that a description of both the hot matter created in heavy ion collisions and the cold dense matter in neutron star interiors is possible within one single approach, the CMF model.
For a long time, strong coupling expansions have not been applied systematically in lattice QCD thermodynamics, in view of the success of numerical Monte Carlo studies. The persistent sign problem at finite baryo-chemical potential, however, has motivated investigations using these methods, either by themselves or combined with numerical evaluations, as a route to finite density physics. This article reviews the strategies, by which a number of qualitative insights have been attained, notably the emergence of the hadron resonance gas or the identification of the onset transition to baryon matter in specific regions of the QCD parameter space. For the simpler case of Yang–Mills theory, the deconfinement transition can be determined quantitatively even in the scaling region, showing possible prospects for continuum physics.
The recent discovery of binary neutron star mergers has opened a new and exciting venue of research into hot and dense strongly interacting matter. For the first time, this elusive state of matter, described by the theory of quantum chromo dynamics, can be studied in two very different environments. On the macroscopic scale, in the collisions of neutron stars; and on the microscopic scale, in collisions of heavy ions at particle collider facilities. We will discuss the conditions that are created in these mergers and the corresponding high energy nuclear collisions. This includes the properties of quantum chromo dynamics matter, that is, the expected equation of state as well as expected chemical and thermodynamic properties of this exotic matter. To explore this matter in the laboratory, a new research prospect is available at the Facility for Antiproton and Ion Research, FAIR. The new facility is being constructed adjacent to the existing accelerator complex of the GSI Helmholtz Centre for Heavy Ion Research at Darmstadt/Germany, expanding the research goals and technical possibilities substantially. The worldwide unique accelerator and experimental facilities of FAIR will open the way for a broad spectrum of unprecedented research supplying a variety of experiments in hadron, nuclear, atomic, and plasma physics as well as biomedical and material science, which will be briefly described.
Die vorliegende Dissertation behandelt das Thema der Wechselstromleitfähigkeit nano-granularer Metalle, welche mit Hilfe der fokussierten elektronenstrahlinduzierten Direktabscheidung (FEBID) hergestellt wurden, sowie der dielektrischen Relaxation in metall-organischen Gerüstverbindungen (MOFs). Sie war eingebettet in das interdisziplinäre Projekt „Dielectric and Ferroelectric Surface-Mounted Metal-Organic Frameworks (SURMOFs) as Sensor Devices“ im Rahmen des DPG-Schwerpunktsprogramms „Coordination Networks: Building Blocks for Functional Systems“ (SPP 1928, COORNETs). Dabei verfolgt sie ein Sensorkonzept zur selektiven Detektion von Analytgasen. Der zentrale Erfolg der Arbeit besteht dabei in neuen Erkenntnissen über die Wechselstromleitfähigkeit nano-granularer Pt(C)-FEBID-Deponate. Die hierbei gewonnen Erkenntnisse können in Zukunft einen weiteren Baustein in der theoretischen Beschreibung dieses grundlegend interessanten und für sensorische Anwendungen wichtigen Teilgebiets der Festkörperphysik darstellen.
This thesis explores the phase diagrams of the Nambu--Jona-Lasinio (NJL) and quark-meson (QM) model in the mean-field approximation and beyond. The focus lies in the investigation of the interplay between inhomogeneous chiral condensates and two-flavor color superconductivity.
In the first part of this thesis, we study the NJL model with 2SC diquarks in the mean-field approximation and determine the dispersion relations for quasiparticle excitations for generic spatial modulations of the chiral condensate in the presence of a homogeneous 2SC-diquark condensate, provided that the dispersion relations in the absence of color superconductivity are known. We then compare two different Ansätze for the chiral order parameter, the chiral density wave (CDW) and the real-kink crystal (RKC). For both Ansätze we find for specific diquark couplings a so-called coexistence phase where both the inhomogeneous chiral condensate and the diquark condensate coexist. Increasing the diquark coupling disfavors the coexistence phase in favor of a pure diquark phase.
On the other hand, decreasing the diquark coupling favors the inhomogeneous phase over the coexistence phase.
In the second part of this thesis the functional renormalization group is employed to study the phase diagram of the quark-meson-diquark model. We observe that the region of the phase diagram found in previous studies, where the entropy density takes on unphysical negative values, vanishes when including diquark degrees of freedom. Furthermore, we perform a stability analysis of the homogeneous phase and compare the results with those of previous studies. We find that an increasing diquark coupling leads to a smaller region of instability as the 2SC phase extends to a smaller chemical potential. We also find a region where simultaneously an instability occurs and a non-vanishing diquark condensate forms, which is an indication of the existence of a coexistence phase in accordance with the results of the first part of this work.
Charts are used to measure relative success for a large variety of cultural items. Traditional music charts have been shown to follow self-organizing principles with regard to the distribution of item lifetimes, the on-chart residence times. Here we examine if this observation holds also for (a) music streaming charts (b) book best-seller lists and (c) for social network activity charts, such as Twitter hashtags and the number of comments Reddit postings receive. We find that charts based on the active production of items, like commenting, are more likely to be influenced by external factors, in particular by the 24 h day–night cycle. External factors are less important for consumption-based charts (sales, downloads), which can be explained by a generic theory of decision-making. In this view, humans aim to optimize the information content of the internal representation of the outside world, which is logarithmically compressed. Further support for information maximization is argued to arise from the comparison of hourly, daily and weekly charts, which allow to gauge the importance of decision times with respect to the chart compilation period.
The direct study of transcription or DNA–protein-binding events, requires imaging of individual genes at molecular resolution. Electron microscopy (EM) can show local detail of the genome. However, direct visualization and analysis of specific individual genes is currently not feasible as they cannot be unambiguously localized in the crowded, landmark-free environment of the nucleus. Here, we present a method for the genomic insertion of gene clusters that can be localized and imaged together with their associated protein complexes in the EM. The method uses CRISPR/Cas9 technology to incorporate several genes of interest near the 35S rRNA gene, which is a frequently occurring, easy-to-identify genomic locus within the nucleolus that can be used as a landmark in micrographs. As a proof of principle, we demonstrate the incorporation of the locus-native gene RDN5 and the locus-foreign gene HSX1. This led to a greater than 7-fold enrichment of RNA polymerase III (Pol III) complexes associated with the genes within the field of view, allowing for a significant increase in the analysis yield. This method thereby allows for the insertion and direct visualization of gene clusters for a range of analyses, such as changes in gene activity upon alteration of cellular or external factors.
Since the discovery of the reversible intercalation of lithium-ion materials associated with promising electrochemical properties, lithium-containing materials have attracted attention in the research and development of effective cathode materials for lithium-ion batteries. Despite various studies on synthesis, and electrochemical properties of lithium-based materials, fairly little fundamental optical and thermodynamic studies are available in the literature. Here, we report on the structure, optical, magnetic, and thermodynamic properties of Li-excess disordered rocksalt, Li1.3Nb0.3Mn0.4O2 (LNMO) which was comprehensively studied using powder X-ray diffraction, transient absorption spectroscopy, magnetic susceptibility, and low-temperature heat capacity measurements. Charge carrier dynamics and electron–phonon coupling in LNMO were studied using ultra-fast laser spectroscopy. Magnetic susceptibility and specific heat data are consistent with the onset of long-range antiferromagnetic order at the Néel temperatures of 6.5 (1.5) K. The effective magnetic moment of LNMO is found to be 3.60 μB. The temperature dependence of the inverse magnetic susceptibility follows the Curie–Weiss law in the high-temperature region and shows negative values of the Weiss temperature 52 K (3), confirming the strong AFM interactions.
Liquid-jet photoelectron spectroscopy was applied to determine the first acid dissociation constant (pKa) of aqueous-phase glucose while simultaneously identifying the spectroscopic signature of the respective deprotonation site. Valence spectra from solutions at pH values below and above the first pKa reveal a change in glucose’s lowest ionization energy upon the deprotonation of neutral glucose and the subsequent emergence of its anionic counterpart. Site-specific insights into the solution-pH-dependent molecular structure changes are also shown to be accessible via C 1s photoelectron spectroscopy. The spectra reveal a considerably lower C 1s binding energy of the carbon site associated with the deprotonated hydroxyl group. The occurrence of photoelectron spectral fingerprints of cyclic and linear glucose prior to and upon deprotonation are also discussed. The experimental data are interpreted with the aid of electronic structure calculations. Our findings highlight the potential of liquid-jet photoelectron spectroscopy to act as a site-selective probe of the molecular structures that underpin the acid–base chemistry of polyprotic systems with relevance to environmental chemistry and biochemistry.
In local scalar quantum field theories at finite temperature correlation functions are known to satisfy certain nonperturbative constraints, which for two-point functions in particular implies the existence of a generalization of the standard Källén-Lehmann representation. In this work, we use these constraints in order to derive a spectral representation for the shear viscosity arising from the thermal asymptotic states, η0. As an example, we calculate η0 in ϕ4 theory, establishing its leading behavior in the small and large coupling regimes.
NeuLAND (New Large-Area Neutron Detector) is the next-generation neutron detector for the R3B (Reactions with Relativistic Radioactive Beams) experiment at FAIR (Facility for Antiproton and Ion Research). NeuLAND detects neutrons with energies from 100 to 1000 MeV, featuring a high detection efficiency, a high spatial and time resolution, and a large multi-neutron reconstruction efficiency. This is achieved by a highly granular design of organic scintillators: 3000 individual submodules with a size of 5 × 5 × 250 cm3 are arranged in 30 double planes with 100 submodules each, providing an active area of 250 × 250 cm2 and a total depth of 3 m. The spatial resolution due to the granularity together with a time resolution of 150 ps ensures high-resolution capabilities. In conjunction with calorimetric properties, a multi-neutron reconstruction efficiency of 50% to 70% for four-neutron events will be achieved, depending on both the emission scenario and the boundary conditions allowed for the reconstruction method. We present in this paper the final design of the detector as well as results from test measurements and simulations on which this design is based.
Neutron-induced cross sections of short-lived nuclei are highly relevant in many domains such as fundamental nuclear physics, astrophysics and applications in nuclear technology. In particular, these cross sections are essential for understanding the synthesis of elements via the s- and r stellar processes. However, the measurement of such cross sections with current techniques is very difficult or even impossible, because of the difficulties to produce and handle the necessary amounts of radioactive nuclei. Reaching the nuclei of interest is only possible by inverting the reaction kinematics with radioactive beams.
In this contribution we present a project for indirectly determining neutron cross sections via the surrogate-reaction method. This project is based on the measurement of transfer- or inelastic-scattering-induced decay probabilities in inverse kinematics at storage rings. The measured probabilities are then used to tune nuclear-reaction models that will provide much more accurate predictions of the desired neutron cross sections. We also discuss a very ambitious, long-term project to directly measure neutron cross sections in inverse kinematics. It consists in the combination of a radioactive beam facility, an ion storage ring and a spallation neutron source.
The Compressed Baryonic Matter (CBM) Experiment will investigate heavy ion collisions and reactions at interaction rates of 100 kHz in a targeted energy range of up to 11 AGeV for systems such as gold-gold or lead-lead. It will be one of the major scientific experiments of the Facility for Antiproton and Ion Research in Europe (FAIR) currently under construction at the site of the GSI Helmholtzzentrum für Schwerionenforschung (GSI) in Darmstadt, Germany. CBM is going to be a fixed target experiment consisting of a superconducting magnet, multiple detectors of various types, and high-performance computing for online event reconstruction and selection. The detector closest to the interaction point of the experiment will be the Micro Vertex Detector (MVD). Consisting of four planar stations equipped with custom CMOS pixel sensors, it will allow to reconstruct the primary vertex with high precision and will help to reconstruct secondary vertices and identify particles originating from conversion in the detector material.
Due to the high interaction rates foreseen for CBM, understanding and minimizing systematic errors due to the detectors’ operating conditions will become all the more important to obtain significant measurement results, as statistical errors in the measurements of many observables are diminishing due to the enormous amount of data available.
Furthermore, the MVD will be the first detector based on CMOS pixel sensors used in a large physics experiment, that will be operated in vacuum. As a result, many aspects of the mechanical and electrical integration of the detector require careful testing and validation.
This thesis addresses both those challenges specifically for the Micro Vertex Detector with the development of a control system for the operation and validation of the MVD prototype “PRESTO” in vacuum. The prototype was selected as device under test as the final MVD is not yet built.
The developed control system helps a) to operate the prototype safely and keep it at the desired working point and b) to record important time-series data of the state of the detector prototype. Those two aspects allow the control system (which might later serve as a ‘blueprint’ for the final detector) to minimize the mentioned systematic errors as much as possible and to contribute to the understanding of remaining systematic errors using correlations with the time-series data. The controlled operation of the prototype in vacuum allowed to validate the integration concepts from a wide range of mechanical and electrical aspects in an endurance test for more than a year with 24/7 operation.
The prototype for this study itself was named “PRESTO” (standing for ‘PREcursor of the Second sTatiOn of the CBM-MVD’). It represents one quadrant of an MVD detector plane, equipped with a total of 15 MIMOSA-26 sensors on the front and back side of a carrier plate. Within this thesis, major parts of the prototype itself were designed. Custom ultra-thin flat flexible cables for data and power were designed and validated. Furthermore, the CNC-machined Aluminium heatsink to mount and cool the prototype design was refined to increase thermal performance. A custom vacuum feedthrough for a total of 21 flat ribbon cables was designed and fabricated. The read-out chain for MIMOSIS-26 was extended to cover a total of 8 sensors with a single and newer TRB-3 FPGA board and was set-up with the prototype. Vacuum equipment including chambers, hoses, pumps, valves and gauges were integrated to form a large vacuum testing system. A cooling circuit for the prototype was assembled comprising an external chiller, hoses, vacuum feedthroughs, as well as temperature, flow and pressure sensors.
The control system was developed to serve the needs of the prototype, while taking the requirements of the final MVD already into account. The main design goals of the control system are:
• compatibility with the other detectors and the overall CBM experiment,
• access to real-time measurements of all necessary parameters (‘process values’),
• reliable, fail-safe operation of the detector,
• recording of all time-series data (‘archiving’),
• cost efficiency and acceptance within the physics community,
• good usability for the users (‘operators’),
• long-term maintainability.
The recorded time-series data of the process variables (i.e. sensor readings) allow a post-measurement analysis of variations in the detector performance. The longterm archiving of all relevant system parameters is therefore of outstanding importance, which is why the software intended for this purpose – called “archiver” – was given special attention in this thesis.
For this reason in particular, it is necessary to implement a comprehensive control system that allows the detector to be operated safely under these conditions and cooled effectively. Before the start of this doctoral thesis, vigilant and extensively trained operators were always necessary for this. The control system that has been developed makes it possible that, after basic training, the detector can also be operated by a less specialised shift supervisor during measurement campaigns.
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We derive the collision term in the Boltzmann equation using the equation of motion for the Wigner function of massive spin-1/2 particles. To next-to-lowest order in h, it contains a nonlocal contribution, which is responsible for the conversion of orbital into spin angular momentum. In a proper choice of pseudogauge, the antisymmetric part of the energy-momentum tensor arises solely from this nonlocal contribution. We show that the collision term vanishes in global equilibrium and that the spin potential is, then, equal to the thermal vorticity. In the nonrelativistic limit, the equations of motion for the energy-momentum and spin tensors reduce to the well-known form for hydrodynamics for micropolar fluids.
Background: Organoids are morphologically heterogeneous three-dimensional cell culture systems and serve as an ideal model for understanding the principles of collective cell behaviour in mammalian organs during development, homeostasis, regeneration, and pathogenesis. To investigate the underlying cell organisation principles of organoids, we imaged hundreds of pancreas and cholangiocarcinoma organoids in parallel using light sheet and bright-field microscopy for up to 7 days.
Results: We quantified organoid behaviour at single-cell (microscale), individual-organoid (mesoscale), and entire-culture (macroscale) levels. At single-cell resolution, we monitored formation, monolayer polarisation, and degeneration and identified diverse behaviours, including lumen expansion and decline (size oscillation), migration, rotation, and multi-organoid fusion. Detailed individual organoid quantifications lead to a mechanical 3D agent-based model. A derived scaling law and simulations support the hypotheses that size oscillations depend on organoid properties and cell division dynamics, which is confirmed by bright-field microscopy analysis of entire cultures.
Conclusion: Our multiscale analysis provides a systematic picture of the diversity of cell organisation in organoids by identifying and quantifying the core regulatory principles of organoid morphogenesis.
The first part of this work addresses the automatic online tuning of transfer lines in particle accelerator facilities. In the second part the focus lies on the automatic construction and optimisation of such transport lines. It can be shown that genetic algorithms can be used very well for optimisation in both cases. Automatic online tuning can be performed very efficiently at accelerators under certain boundary conditions and is particularly well suited for initial beam commissioning with low intensity pilot beams. The construction of transfer lines can also be formulated and solved as an minimisation problem with an adopted parameterisation. Thereby, both the imaging properties of the beam transport and the robustness against error studies can be optimised at the same time.
Terahertz (THz) technology is an emerging field that considers the radiation between microwave and far-infrared regions where the electronic and photonic technologies merge. THz generation and THz sensing technologies should fill the gap between photonics and electronics which is defined as a region where THz generation power and THz sensing capabilities are at a low technology readiness level (TRL). As one of the options for THz detection technology, field-effect transistors with integrated antennae were suggested to be used as THz detectors in the 1990s by M. Dyakonov and M. Shur from where the development of field-effect transistor-based detector began. In this work, various FET technologies are presented, such as CMOS, AlGaN/GaN, and graphene-based material systems and their further sensitivity enhancement in order to reach the performance of well-developed Schottky diode-based THz sensing technology. Here presented FET-based detectors were explored in a wide frequency range from 0.1 THz up to 5 THz in narrowband and broadband configurations.
For proper implementation of THz detectors, the well-defined characterization is of high importance. Therefore, this work overviews the characterization methods, establishes various definitions of detector parameters, and summarizes the state-of-the-art THz detectors. The electrical, optical, and cryogenic characterization techniques are also presented here, as well as the best results obtained by the development of the characterization methods, namely graphene FET stabilization, low-power THz source characterization for detector calibration, and technology development for cryogenic detection.
Following the discussion about the detector characterization, a wide range of THz applications, which were tested during the last four years of Ph.D. and conducted under the ITN CELTA project from HORIZON2020 program, are presented in this work. The studies began with spectroscopy applications and imaging and later developed towards hyperspectral imaging and even passive imaging of human body THz radiation. As various options for THz applications, single-pixel detectors as well as multi-pixel arrays are also covered in this work.
The conducted research shows that FET-based detectors can be used for spectroscopy applications or be easily adapted for the relevant frequency range. State-of-the-art detectors considered in this work reach the resonant performance below 20 pW/√Hz at 0.3 THz and 0.5 THz, as well as 404 pW/√Hz cross-sectional NEP at 4.75 THz. The broadband detectors show NEP as low as 25 pW/√Hz at around 0.6 THz for the best AlGaN/GaN design and 25 pW/√Hz around 1 THz for the best CMOS design. As one of the most promising applications, metamaterial characterization was tested using the most sensitive devices. Furthermore, one of the single-pixel devices and a multi-pixel array were tested as an engineering solution for a radio astronomy system called GREAT in a stratosphere observatory named SOFIA. The exploration of the autocorrelation technique using FET-based devices shows the opportunity to employ such detectors for direct detection of THz pulses without an interferometric measurement setup.
This work also considers imaging applications, which include near-field and far-field visualization solutions. A considerable milestone for the theory of FET technology was achieved when scanning near-field microscopy led to the visualization of plasma (or carrier density) waves in a graphene FET channel. Whereas another important milestone for the THz technology was achieved when a 3D scan of a mobile phone was performed under the far-field imaging mode. Even though the imaging was done through the phone’s plastic cover, the image displayed high accuracy and good feature recognition of the smartphone, inching the FET-based detector technology ever so close to practical security applications. In parallel, the multi-pixel array testing was carried out on 6x7 pixel arrays that have been implemented in configurable-size aperture and imaging configurations. The configurable aperture size allowed the easier detector focusing procedure and a better fit for the beam size of the incident radiation. The imaging has been tested on various THz sources and compared to the TeraSense 16x16 pixel array. The experimental results show the big advantage of the developed multi-pixel array against the used commercial technology.
Furthermore, two ultra-low-power applications have been successfully tested. The application on hyper-frequency THz imaging tested in the specially developed dual frequency comb and our detector system for 300 GHz radiation with 9 spectral lines led to outstanding imaging results on various materials. The passive imaging of human body radiation was conducted using the most sensitive broadband CMOS detector with a log-spiral antenna working in the 0.1 – 1.5 THz range and reaching the optical NEP of 42 pW/√Hz. The NETD of this device reaches 2.1 K and overcomes the performance limit of passive room-temperature imaging of the human body radiation, which was less than 10 K above the room temperature. This experiment opened a completely new field that was explored before only by the multiplier chain-based or thermal detectors.
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Consequences of minimal length discretization on line element, metric tensor, and geodesic equation
(2021)
When minimal length uncertainty emerging from a generalized uncertainty principle (GUP) is thoughtfully implemented, it is of great interest to consider its impacts on gravitational Einstein field equations (gEFEs) and to try to assess consequential modifications in metric manifesting properties of quantum geometry due to quantum gravity. GUP takes into account the gravitational impacts on the noncommutation relations of length (distance) and momentum operators or time and energy operators and so on. On the other hand, gEFE relates classical geometry or general relativity gravity to the energy–momentum tensors, that is, proposing quantum equations of state. Despite the technical difficulties, we intend to insert GUP into the metric tensor so that the line element and the geodesic equation in flat and curved space are accordingly modified. The latter apparently encompasses acceleration, jerk, and snap (jounce) of a particle in the quasi-quantized gravitational field. Finite higher orders of acceleration apparently manifest phenomena such as accelerating expansion and transitions between different radii of curvature and so on.
The QCD phase-diagram is studied, at finite magnetic field. Our calculations are based on the QCD effective model, the SU(3) Polyakov linear-sigma model (PLSM), in which the chiral symmetry is integrated in the hadron phase and in the parton phase, the up-, down- and strange-quark degrees of freedom are incorporated besides the inclusion of Polyakov loop potentials in the pure gauge limit, which are motivated by various underlying QCD symmetries. The Landau quantization and the magnetic catalysis are implemented. The response of the QCD matter to an external magnetic field such as magnetization, magnetic susceptibility and permeability has been estimated. We conclude that the parton phase has higher values of magnetization, magnetic susceptibility, and permeability relative to the hadron phase. Depending on the contributions to the Landau levels, we conclude that the chiral magnetic field enhances the chiral quark condensates and hence the chiral QCD phase-diagram, i.e. the hadron-parton phase-transition likely takes place, at lower critical temperatures and chemical potentials.
Nano-granular metals are materials that fall into the general class of granular electronic systems in which the interplay of electronic correlations, disorder and finite size effects can be studied. The charge transport in nano-granular metals is dominated by thermally-assisted, sequential and correlated tunneling over a temperature-dependent number of metallic grains. Here we study the frequency-dependent conductivity (AC conductivity) of nano-granular Platinum with Pt nano-grains embedded into amorphous carbon (C). We focus on the transport regime on the insulating side of the insulator metal transition reflected by a set of samples covering a range of tunnel-coupling strengths. In this transport regime polarization contributions to the AC conductivity are small and correlation effects in the transport of free charges are expected to be particularly pronounced. We find a universal behavior in the frequency dependence that can be traced back to the temperature-dependent zero-frequency conductivity (DC conductivity) of Pt/C within a simple lumped-circuit analysis. Our results are in contradistinction to previous work on nano-granular Pd/ZrO2ZrO2 in the very weak coupling regime where polarization contributions to the AC conductivity dominated. We describe possible future applications of nano-granular metals in proximity impedance spectroscopy of dielectric materials.
Chiral symmetry represents a fundamental concept lying at the core of particle and nuclear physics. Its spontaneous breaking in vacuum can be exploited to distinguish chiral hadronic partners, whose masses differ. In fact, the features of this breaking serve as guiding principles for the construction of effective approaches of QCD at low energies, e.g., the chiral perturbation theory, the linear sigma model, the (Polyakov)–Nambu–Jona-Lasinio model, etc. At high temperatures/densities chiral symmetry can be restored bringing the chiral partners to be nearly degenerated in mass. At vanishing baryochemical potential, such restoration follows a smooth transition, and the chiral companions reach this degeneration above the transition temperature. In this work I review how different realizations of chiral partner degeneracy arise in different effective theories/models of QCD. I distinguish the cases where the chiral states are either fundamental degrees of freedom or (dynamically-generated) composed states. In particular, I discuss the intriguing case in which chiral symmetry restoration involves more than two chiral partners, recently addressed in the literature.
The topic of this thesis is the theoretical description of the hadron gas stages in heavy-ion collisions. The overall addressed question hereby is: How does the hadronic medium evolve i.e. what are the relevant microscopic reaction mechanisms and the properties of the involved degrees of freedom? The main goal is to address this question specifically for hadronic multi-particle interactions. For this goal, the hadronic transport approach SMASH is extended with stochastic rates, which allow to include detailed balance fulfilling multi-particle reactions in the approach. Three types of reactions are newly-accounted for: 3-to-1, 3-to-2 and 5-to-2 reactions. After extensive verifications of the stochastic rates approach, they are used to study the effect of multi-particle interactions, particularly in afterburner calculations.
These studies follow complementary results for the dilepton and strangeness production with only binary reactions, which show that hadronic transport approaches are capable of describing observables when employed for the entire evolution of low-energy heavy-ion collisions. This is illustrated by the agreement of dilepton and strangeness production for smaller systems with SMASH calculations. It is, in particular, possible to match the measured strangeness production of phi and Xi hadrons via additional heavy nucleon resonance decay channels. For larger systems or higher energies, hadronic transport cascade calculations with vacuum resonance properties can point to medium effects. This is demonstrated extensively for the dilepton emission in comparisons to the full set of HADES dielectron data. The dilepton invariant mass spectra are sensitive to a medium modification of the vector meson spectral function for large collision systems already at low beam energies. The sensitivity to medium modifications is mapped out in detail by comparisons to a coarse-graining approach, which employs medium-modified spectral functions and is based on the same evolution.
The theoretical foundation of stochastic rates are collision probabilities derived from the Boltzmann equation's collision term with the assumption of a constant matrix element. This derivation is presented in a comprehensive and pedagogical fashion. The derived collision probabilities are employed for a stochastic collision criterion and various detailed-balance fulfilling multi-particle reactions: the mesonic Dalitz decay back-reaction (3-to-1), the deuteron catalysis (3-to-2) and the proton-antiproton annihilation back-reaction (5-to-2). The introduced stochastic rates approach is extensively verified by studies of the numerical stability and comparisons to previous results and analytic expectations. The stochastic rates results agree perfectly with the respective analytic results.
Physically, multi-particle reactions are demonstrated to be significant for different observables, most notably the yield of the partaking particles, even in the late dilute stage of heavy-ion reactions. They lead to a faster equilibration of the system than equivalent binary multi-step treatments. The difference in equilibration consequently influences the yield in afterburner calculations. Interestingly, the interpretation of results is not dependent on employing multi-particle or multi-step treatments, which a posteriori validates the latter.
As the first test case of multi-particle reactions in heavy-ion reactions, the mesonic 3-to-1 Dalitz decay is found to be dominated by the omega Dalitz decay back-reaction. While the effect on the medium is found to be negligible overall, the regeneration is found to be sizable: up to a quarter of Dalitz decays are regenerated.
Non-equilibrium rescattering effects are shown to be relevant for late collision stages for two particle species: deuteron and protons. In both cases, the relevant rescatterings involve multiple particles.
The deuteron pion and nucleon catalysis reactions equilibrate quickly in the afterburner stage at intermediate energies. The constant formation and destruction keeps the yield constant and microscopically explains the "snowballs in hell"-paradox. The yield is also generated with no d present at early times, which explains why coalescence models can also match the multiplicity.
New is the study of the 5-body back-reaction of proton-antiproton annihilations. This work marks the first realization of microscopic 5-body reactions in a transport approach to fulfill detailed balance for such reactions. A sizable regeneration due to the back-reaction of up to half of the proton-antiproton pairs lost due to annihilations is found. Consequently, both annihilation and regeneration in the late non-equilibrium stage are shown to have a significant effect on the p yield.
HbA1c is the gold standard test for monitoring medium/long term glycemia conditions in diabetes care, which is a critical factor in reducing the risk of chronic diabetes complications. Current technologies for measuring HbA1c concentration are invasive and adequate assays are still limited to laboratory-based methods that are not widely available worldwide. The development of a non-invasive diagnostic tool for HbA1c concentration can lead to the decrease of the rate of undiagnosed cases and facilitate early detection in diabetes care. We present a preliminary validation diagnostic study of W-band spectroscopy for detection and monitoring of sustained hyperglycemia, using the HbA1c concentration as reference. A group of 20 patients with type 1 diabetes mellitus and 10 healthy subjects were non-invasively assessed at three different visits over a period of 7 months by a millimeter-wave spectrometer (transmission mode) operating across the full W-band. The relationship between the W-band spectral profile and the HbA1c concentration is studied using longitudinal and non-longitudinal functional data analysis methods. A potential blind discrimination between patients with or without diabetes is obtained, and more importantly, an excellent relation (R-squared = 0.97) between the non-invasive assessment and the HbA1c measure is achieved. Such results support that W-band spectroscopy has great potential for developing a non-invasive diagnostic tool for in-vivo HbA1c concentration monitoring in humans.
We investigate general properties of the eigenvalue spectrum for improved staggered quarks. We introduce a new chirality operator [y5⊗1] and a new shift operator [1⊗ξ5], which respect the same recursion relation as the γ5 operator in the continuum. Then we show that matrix elements of the chirality operator sandwiched between two eigenstates of the staggered Dirac operator are related to those of the shift operator by the Ward identity of the conserved U (1)A symmetry of staggered fermion actions. We perform a numerical study in quenched QCD using HYP staggered quarks to demonstrate the Ward identity. We introduce a new concept of leakage patterns which collectively represent the matrix elements of the chirality operator and the shift operator sandwiched between two eigenstates of the staggered Dirac operator. The leakage pattern provides a new method to identify zero modes and nonzero modes in the Dirac eigenvalue spectrum. This method is as robust as the spectral flow method but requires much less computing power. Analysis using a machine learning technique confirms that the leakage pattern is universal, since the staggered Dirac eigenmodes on normal gauge configurations respect it. In addition, the leakage pattern can be used to determine a ratio of renormalization factors as a by-product. We conclude that it might be possible and realistic to measure the topological charge Q using the Atiya-Singer index theorem and the leakage pattern of the chirality operator in the staggered fermion formalism.
During infection the SARS-CoV-2 virus fuses its viral envelope with cellular membranes of its human host. The viral spike (S) protein mediates both the initial contact with the host cell and the subsequent membrane fusion. Proteolytic cleavage of S at the S2′ site exposes its fusion peptide (FP) as the new N-terminus. By binding to the host membrane, the FP anchors the virus to the host cell. The reorganization of S2 between virus and host then pulls the two membranes together. Here we use molecular dynamics (MD) simulations to study the two core functions of the SARS-CoV-2 FP: to attach quickly to cellular membranes and to form an anchor strong enough to withstand the mechanical force during membrane fusion. In eight 10 μs long MD simulations of FP in proximity to endosomal and plasma membranes, we find that FP binds spontaneously to the membranes and that binding proceeds predominantly by insertion of two short amphipathic helices into the membrane interface. Connected via a flexible linker, the two helices can bind the membrane independently, yet binding of one promotes the binding of the other by tethering it close to the target membrane. By simulating mechanical pulling forces acting on the C-terminus of the FP, we then show that the bound FP can bear forces up to 250 pN before detaching from the membrane. This detachment force is more than 10-fold higher than an estimate of the force required to pull host and viral membranes together for fusion. We identify a fully conserved disulfide bridge in the FP as a major factor for the high mechanical stability of the FP membrane anchor. We conclude, first, that the sequential binding of two short amphipathic helices allows the SARS-CoV-2 FP to insert quickly into the target membrane, before the virion is swept away after shedding the S1 domain connecting it to the host cell receptor. Second, we conclude that the double attachment and the conserved disulfide bridge establish the strong anchoring required for subsequent membrane fusion. Multiple distinct membrane-anchoring elements ensure high avidity and high mechanical strength of FP–membrane binding.
Stationarity of the constituents of the body and of its functionalities is a basic requirement for life, being equivalent to survival in first place. Assuming that the resting state activity of the brain serves essential functionalities, stationarity entails that the dynamics of the brain needs to be regulated on a time-averaged basis. The combination of recurrent and driving external inputs must therefore lead to a non-trivial stationary neural activity, a condition which is fulfiled for afferent signals of varying strengths only close to criticality. In this view, the benefits of working in the vicinity of a second-order phase transition, such as signal enhancements, are not the underlying evolutionary drivers, but side effects of the requirement to keep the brain functional in first place. It is hence more appropriate to use the term 'self-regulated' in this context, instead of 'self-organized'.
We examine the thermodynamic behavior of a static neutral regular (non-singular) black hole enclosed in a finite isothermal cavity. The cavity enclosure helps us investigate black hole systems in a canonical or a grand canonical ensemble. Here we demonstrate the derivation of the reduced action for the general metric of a regular black hole in a cavity by considering a canonical ensemble. The new expression of the action contains quantum corrections at short distances and concludes to the action of a singular black hole in a cavity at large distances. We apply this formalism to the noncommutative Schwarzschild black hole, in order to study the phase structure of the system. We conclude to a possible small/large stable regular black hole transition inside the cavity that exists neither at the system of a classical Schwarzschild black hole in a cavity, nor at the asymptotically flat regular black hole without the cavity. This phase transition seems to be similar with the liquid/gas transition of a Van der Waals gas.
Next-generation DIRC detectors, like the PANDA Barrel DIRC, with improved optical designs and better spatial and timing resolution, require correspondingly advanced reconstruction and PID methods. The investigation of the PID performance of two DIRC counters and the evaluation of the reconstruction and PID algorithms form the core of this thesis. Several reconstruction and PID approaches were developed, optimized, and tested using hadronic beam particles, experimental physics events, and Geant simulations. The near-final design of the PANDA Barrel DIRC was evaluated with a prototype in the T9 beamline at CERN in 2018. The analysis finds excellent agreement between the experimental data and the Geant simulations for all reconstruction algorithms. The best PID performance of up to $5.2 \pm 0.2$ s.d. $\pi$/K separation at 3.5 GeV/c, was obtained with a time imaging PID method. The PANDA Barrel DIRC simulation, as well as the reconstruction and PID algorithms, were evaluated using experimental data from the GlueX DIRC as part of the FAIR Phase-0 program. The performance validation was carried out using physics events of the GlueX experiment and simulations. The initial analysis results of the commissioning dataset show a $\pi$/K separation power of up to 3 s.d. at a momentum of 3.0-3.5 GeV/c, obtained using a geometric reconstruction algorithm.
The main subject of this thesis is the study of hadron and photon production in relativistic heavy-ion collisions by means of hydrodynamics+transport approaches. Two different kinds of such hybrid approaches are employed in this work, the SMASH-vHLLE-hybrid and a MUSIC+SMASH hybrid. While the former is capable of simulating heavy-ion collisions covering a wide range of collision energies down to √s = 4.3 GeV, reproducing the correct baryon stopping powers, the latter provides a framework to consistently model photon production in the hadronic stage of high-energy heavy-ion collisions.
The SMASH-vHLLE-hybrid is a novel state-of-the-art hybrid approach whose development constitutes a major contribution to this thesis. It couples the hadronic transport SMASH to the 3+1D viscous hydrodynamics approach vHLLE. Therein, SMASH is employed to provide the fluctuating 3D initial conditions and to model the late hadronic rescattering stage, and vHLLE for the fluid dynamical evolution of the hot and dense fireball. The initial conditions are provided on a hypersurface of constant proper time, and the macroscopic evolution of the fireball is carried out down to an energy density of ecrit = 0.5 GeV/fm3, where particlization occurs. Consistency at the interfaces is verified in view of global, on-average quantum number conservation and the SMASH-vHLLE-hybrid is validated by comparison to SMASH+CLVisc as well as UrQMD+vHLLE hybrid approaches. The establishment of the SMASH-vHLLE-hybrid to theoretically describe heavy-ion collisions at intermediate and high collision energies forms a basis for a range of extensions and future research projects. It is further made available to the heavy-ion community by virtue of being published on Github.
The SMASH-vHLLE-hybrid is applied to simulate Au+Au/Pb+Pb collisions between √s = 4.3 GeV and √s = 200.0 GeV. A good agreement with the experimentally measured rapidity and transverse mass spectra is obtained. In particular the baryon stopping dynamics are well reproduced at low, intermediate, and high collision energies. Excitation functions for the mid-rapidity yield and mean transverse momentum of pions, protons and kaons are demonstrated to agree well with their experimentally measured counterpart. These results further validate the approach and provide a solid baseline for potential future studies. The importance of annihilations and regenerations of protons and anti-protons is additionally investigated in Au+Au/Pb+Pb collisions between √s = 17.3 GeV and √s = 5.02 TeV with the SMASH-vHLLE-hybrid. It is found that, regarding the p + p ̄ ↔ 5 π reaction, 20-50% (depending on the rapidity range) of the (anti-)proton yield lost to annihila- tions in the hadronic rescattering stage is restored owing to the back reaction. The back reaction thus constitutes a non-negligible contribution to the final (anti-)proton yield and should not be neglected when modelling the late rescattering stage of heavy-ion collisions.
The MUSIC+SMASH hybrid is a hybrid approach ideally suited to model the production of photons in relativistic heavy-ion collisions. Therein, the macroscopic production of photons in the hadronic stage in MUSIC relies on the identical effective field theories as the photon cross sections implemented in SMASH for the microscopic production. The MUSIC+SMASH hybrid thus provides the first consistent framework to the end of hadronic photon production. It accounts for 2 → 2 scattering processes of the kind π + ρ → π + γ and pion bremsstrahlung processes π + π → π + π + γ. The MUSIC+SMASH hybrid is employed in an ideal 2D setup to systematically assess the importance of non-equliibrium dynamics in the hadronic rescattering stage on mid-rapidity transverse momentum spectra and elliptic flow of photons at RHIC/LHC energies. This is achieved by comparing the outcome of the MUSIC+SMASH hybrid, involving an out-of-equilibrium late rescattering stage, to macroscopically approximating late stage photon production by means of MUSIC, employed down to temperatures well below the switching temperature. It is found that non-equilibrium dynamics have only minor implications for photon transverse momentum spectra, but significantly enhance the photon elliptic flow. At RHIC energies, an enhancement of up to 70%, and at LHC of up to 65% is observed in the non-equilibrium afterburner as compared to its hydrodynamical counterpart. In combination with the large amount of photons produced above the particlization temperature, these differences are modest regarding the transverse momentum spectra, but a significant enhancement of the elliptic flow is observed at low transverse momenta. Below pT ≈ 1.4 GeV, the combined v2 is enhanced by up to 30% at RHIC, and up to 20% at the LHC within the non-equilibrium setup as compared to its approximation via hydrodynamics. Non-equilibrium dynamics in the hadronic rescattering stage are hence important, especially in view of momentum anisotropies at low transverse momenta. These findings thus contribute to the understanding of low-pT photons produced in heavy-ion collisions at RHIC/LHC energies and the MUSIC+SMASH hybrid employed for this study provides a baseline for additional studies regarding photon production in the future.
To summarize, the approaches and frameworks presented in this thesis provide a good baseline for further extensions and studies in order to improve the understanding of hadron and photon production in relativistic heavy-ion collisions across a wide range of collision energies. More broadly, such future studies of hadrons and photons may contribute to enhance the understandig of the properties of the fundamental building blocks of matter, of which everything that surrounds us is made of.
Bohmian mechanics as formulated originally in 1952, has been useful in the implementation of numerical methods applied to quantum mechanics. The scientific community though has had ever since a critical thought about it. Therefore, there are still points to be clarified and rectified. The two main problems are basically: Bohmian mechanics gives a privilege role to the position representation. Secondly, the current interpretation of Bohmian trajectories has been recently proven wrong.
In this context, in Chapter 2, new complex Bohmian quantities are defined; so that they allow the capacity to formulate Bohmian mechanics in any arbitrary continuous representation, for instance, the momentum representation. This Chapter is fully based on two articles, regarding the proposed complex Bohmian formulation and its extension into momentum space.
Chapter 3 deals with a redefinition and reinterpretation of the Bohmian trajectories from the handling of the continuity equation, this is done without any need of additional postulates or interpretations. Also, it is proved that Bohmian mechanics is actually more than a projective aspect of the Wigner function.
As a third point, Chapter 4 presents a sytematic treatment of the hydrodynamic scheme of Bohmian mechanics. Then, a brief summary of the transport equations in Bohmian mechanics is done. Next, a unified hydrodynamic treatment is found for the Bohmian mechanics. This treatment is useful to sketch, a Bohmian treatment to efficiently find the steady value of the transmission integral.
In Chapter 5 conclusions of this thesis are drawn.
Neurons are cells with a highly complex morphology; their dendritic arbor spans up to thousands of micrometers. This extended arbor poses a challenge for the logistics of neuronal processes: mRNA, proteins, and organelles have to be transported to dendrites, hundreds of micrometers away from the soma. This thesis aims to calculate the minimum number of proteins needed to populate the dendritic trees for different scenarios.
In chapter 2, I analyzed the ability of different mechanisms to populate the dendritic arbor. I started from the solution of the diffusion equation in Sec. 2.1, then I included the contribution of active transport in Sec. 2.2 and showed how it could have either the effect of increasing the effective diffusion coefficient or of introducing a bias in the diffusion process. In Sec. 2.3 I studied the spatial distribution of locally synthesized protein, accordingly with actively and passively transported mRNA. In Sec. 2.5, I derived the boundary condition for branches showing a qualitatively different behavior of surface and cytoplasmic proteins induced by the medium’s dimensionality in which they diffuse.
In chapter 3, I introduced the concept of protein requirement, defined as the minimum number of proteins that the neuron needs to produce to provide at least one protein to each micrometer of the dendritic arbor. In Sec. 3.1, I derived the protein requirement for diffusive proteins for somatic translation and constant translation in the dendritic arbor. In Sec. 3.2, I analyzed numerically the protein requirement in the case of actively transported protein synthesized in the soma, and, in Sec. 3.3, in the case of actively transported proteins synthesized in the dendritic arbor. In Sec. 3.4, I analyzed the protein requirement of protein synthesized in the dendrite accordingly with the distribution of mRNA described in Sec. 3.3 and 3.2. In Sec. 3.5, I derived the protein requirement for a single branch and purely diffusive proteins.
In chapter 4, I analyzed the relation between the radii of the three afferent dendrites in a branch, their length, and the diffusion length of a protein. In Sec. 4.1 I derived the optimal ratio between the radii of the daughter dendrites that minimizes the protein requirement. In Sec. 4.3 I introduced the 3/2− Rall Rule and in Sec. 4.5 its generalization. Finally, I used those rules to estimate the fraction of proteins diffusing away from and toward the soma.
In chapter 5, I analyzed the radii distribution for three categories of neurons: cultured hippocampal neurons in Sec. 5.1, stomatogastric ganglia neuron in Sec. 5.2, and 3DEM reconstructed prefrontal pyramidal neurons in Sec. 5.3. For each of these three classes, I analyzed the distribution of radii, Rall exponents, and the probability ratio. For most of them, I found that the probability of a protein diffusing away from the soma is higher for surface proteins than for cytoplasmic ones. I quantified this with a parameter called surface bias.
In Chapter 6, I analyzed the fluorescent ratio imaged by our collaborators Anne-Sophie Hafner, for a surface protein, GFP::Nlg, and a soluble one, GFP, in cultured hippocampal neurons, and I compared the fluorescent ratio with the probability ratio obtained in 5.1, finding that they are in good agreement.
In chapter 7, I compared the real dendritic morphologies imaged by one of our collaborators Ali Karimi with the optimal branching rule obtained in Sec. 4.1 and I calculated the cost for not having optimal branching radii.
Finally, in Chapter 8, I used the knowledge of the branching statistics gathered in 5.3 to simulate the protein profile on three different classes of neurons: pyramidal neurons, granule neuron, and Purkinje neurons. I compared the protein profile for surface and cytoplasmic neurons for each morphology for two different values of the diffusion length: λ = 109µm and λ = 473µm, both for optimized radii and symmetrical radii. I showed how the radii optimization reduces the protein requirement of a factor 10 4 for pyramidal neurons.
Die vorliegende Dissertation stellt die Strahldynamikdesigns zweier Hochfrequenzquadrupol-Linearbeschleuniger bzw. Radio Frequency Quadrupoles (RFQs) vor: das fur den RFQ des Protonen-Linearbeschleunigers (p-Linac) des FAIR2-Projekts an der GSI3 Darmstadt sowie einen ersten Designentwurf für einen kompakten RFQ, der u.a. zur Erzeugung von Radioisotopen für medizinische Zwecke genutzt werden könnte. Der Schwerpunkt liegt auf dem ersten Design.
Topological phases set themselves apart from other phases since they cannot be understood in terms of the usual Landau theory of phase transitions. This fact, which is a consequence of the property that topological phase transitions can occur without breaking symmetries, is reflected in the complicated form of topological order parameters. While the mathematical classification of phases through homotopy theory is known, an intuition for the relation between phase transitions and changes to the physical system is largely inhibited by the general complexity.
In this thesis we aim to get back some of this intuition by studying the properties of the Chern number (a topological order parameter) in two scenarios. First, we investigate the effect of electronic correlations on topological phases in the Green's function formalism. By developing a statistical method that averages over all possible solutions of the manybody problem, we extract general statements about the shape of the phase diagram and investigate the stability of topological phases with respect to interactions. In addition, we find that in many topological models the local approximation, which is part of many standard methods for solving the manybody lattice model, is able to produce qualitatively correct phase transitions at low to intermediate correlations.
We then extend the statistical method to study the effect of the lattice, where we evaluate possible applications of standard machine learning techniques against our information theoretical approach. We define a measure for the information about particular topological phases encoded in individual lattice parameters, which allows us to construct a qualitative phase diagram that gives a more intuitive understanding of the topological phase.
Finally, we discuss possible applications of our method that could facilitate the discovery of new materials with topological properties.
In two-dimensional (2D) NbSe2 crystal, which lacks inversion symmetry, strong spin-orbit coupling aligns the spins of Cooper pairs to the orbital valleys, forming Ising Cooper pairs (ICPs). The unusual spin texture of ICPs can be further modulated by introducing magnetic exchange. Here, we report unconventional supercurrent phase in van der Waals heterostructure Josephson junctions (JJs) that couples NbSe2 ICPs across an atomically thin magnetic insulator (MI) Cr2Ge2Te6. By constructing a superconducting quantum interference device (SQUID), we measure the phase of the transferred Cooper pairs in the MI JJ. We demonstrate a doubly degenerate nontrivial JJ phase (ϕ), formed by momentum-conserving tunneling of ICPs across magnetic domains in the barrier. The doubly degenerate ground states in MI JJs provide a two-level quantum system that can be utilized as a new dissipationless component for superconducting quantum devices. Our work boosts the study of various superconducting states with spin-orbit coupling, opening up an avenue to designing new superconducting phase-controlled quantum electronic devices.
One of the most challenging problems in solid state systems is the microscopic analysis of electronic correlations. A paramount minimal model that encodes correlation effects is the Hubbard Hamiltonian, which—regardless of its simplicity—is exactly solvable only in a few limiting cases and approximate many-body methods are required for its solution. In this review, an overview on the non-perturbative two-particle self-consistent method (TPSC), which was originally introduced to describe the electronic properties of the single-band Hubbard model, is presented. A detailed derivation of the multi-orbital generalization of TPSC is introduced here and particular features of the method on exemplary interacting models in comparison to dynamical mean-field theory results are discussed.
Geometrical frustration among interacting spins combined with strong quantum fluctuations destabilize long-range magnetic order in favor of more exotic states such as spin liquids. By following this guiding principle, a number of spin liquid candidate systems were identified in quasi-two-dimensional (quasi-2D) systems. For 3D, however, the situation is less favorable as quantum fluctuations are reduced and competing states become more relevant. Here we report a comprehensive study of thermodynamic, magnetic and dielectric properties on single crystalline and pressed-powder samples of PbCuTe2O6, a candidate material for a 3D frustrated quantum spin liquid featuring a hyperkagome lattice. Whereas the low-temperature properties of the powder samples are consistent with the recently proposed quantum spin liquid state, an even more exotic behavior is revealed for the single crystals. These crystals show ferroelectric order at TFE ≈ 1 K, accompanied by strong lattice distortions, and a modified magnetic response—still consistent with a quantum spin liquid—but with clear indications for quantum critical behavior.
Model frameworks, based on Floquet theory, have been shown to produce effective tools for accurately predicting phase-noise response of single (free-running) oscillator systems. This method of approach, referred to herein as macro-modeling, has been discussed in several highly influential papers and now constitutes an established branch of modern circuit theory. The increased application of, for example, injection-locked oscillators and oscillator arrays in modern communication systems has subsequently exposed the demand for similar rigorous analysis tools aimed at coupled oscillating systems. This paper presents a novel solution in terms of a macro-model characterizing the phase-response of synchronized coupled oscillator circuits and systems perturbed by weak noise sources. The framework is generalized and hence applicable to all circuit configurations and coupling topologies generating a synchronized steady-state. It advances and replaces the phenomenological descriptions currently found in the published literature pertaining to this topic and, as such, represents a significant breakthrough w.r.t. coupled oscillator noise modeling. The proposed model is readily implemented numerically using standard routines.
Computational workflow optimization for magnetic fluctuation measurements of 3D nano-tetrapods
(2021)
The detailed understanding of micro–and nanoscale structures, in particular their magnetization dynamics, dominates contemporary solid–state physics studies. Most investigations already identified an abundance of phenomena in one–and two–dimensional nanostructures. The following thesis focuses on the magnetic fingerprint of three–dimensional CoFe nano–magnets, specifically the temporal development of their hysteresis loop. These nano–magnets were grown in a tetrahedral pattern on top of a highly susceptible home–build GaAs/AlGaAs micro–Hall sensor using focused electron beam induced deposition (FEBID).
During the measurements, utmost efforts were employed to exemplify current best research practices. The data life cycle of the present thesis is based upon open–source data science tools and packages. Data acquisition and analysis required self–written automated algorithms to handle the extensive quantity of data. Existing instrumental-controlling software was improved, and new Python packages were devised to analyze and visualize the gathered data. The open–source Python data analysis framework (ana) was developed to facilitate computational reproducibility. This framework transparently analyses and visualizes the gathered data automatically using Continuous Analysis tools based on GitLab and Continuous Integration. This automatization uses bespoke scripts combined with virtualization tools like Docker to facilitate reproducible and device–independent results.
The hysteresis loops reveal distinct differences in subsequently measured loops with identical initial experimental parameters, originating from the nano–magnet’s magnetic noise. This noise amplifies in regions where switching processes occur. In such noise–prone regions, the time–dependent scrutinization reveals presumably thermally induced metastable magnetization states. The frequency–dependent power spectral density uncovers a characteristic 1/f² behavior at noise–prone regions with metastable magnetization states.
Particle collisions provide insight into the structure of matter and the interaction of its constituents. Furthermore, they also allow a better understanding of the processes involved in the formation of the universe. To cover these diverse areas, it is necessary to study different observables and collision systems. A particular challenge is to find a suitable measurable observable for a theoretically meaningful variable and to develop a measurement process taking into account the experiment. The analyses of particle collisions in this thesis cover many of the challenges and objectives mentioned above. The focus of the work is the analysis of isolated photons at an energy of √s = 7 TeV. In addition, the work also includes measurements of the average transverse momentum in Pb-Pb collisions at an energy of √s = 2.76 TeV.
Apart from the collision system, the two analyses complement each other in other respects. The measurement of isolated photons represents the first measurement of this observable with ALICE and thus lays the foundation for further measurements at other collision systems and energies. The measurement of the mean transverse momentum, on the other hand, is based on an established measurement and thus allows the comparison of different collision systems. Likewise, the physical processes studied differ. With the measurement of isolated photons, hard scattering processes in the collisions can be investigated, while the average transverse momentum allows a description of the underlying event.
When measuring isolated photons, it should be noted that isolated photons are a measurable observable that cannot be assigned to an explicit physical process. The isolation criterion used in the analysis serves to increase the fraction of prompt photons from 2→2 processes. These photons can contribute to a better understanding of the parton density function (PDF) of gluons, as well as be used as a reference for perturbative QCD calculations.
Of particular importance for the analysis are the cluster shape and the energy within a certain radius around the potential photon. The combination of these two quantities allows determining the background using the ABCD method established by CDF and ATLAS. The result obtained in this way extends the previous measurements of the cross-section of isolated photons at the LHC to lower transverse momenta. Similarly, the previous measurements of the cross-section as a function of the scale variable xT are extended to lower values.
The main focus of the measurement of the average transverse momentum of charged particles ⟨pT⟩ is to compare the measurement for the pp, p-Pb, and Pb-Pb collision systems. To obtain a direct comparison between the different collision systems, ⟨pT ⟩ is measured against the true multiplicity nch. Since the multiplicity range of pp and p-Pb collisions is limited, the analysis in Pb-Pb collisions is restricted to nch = 100. This range corresponds to peripheral Pb-Pb collisions. A particular focus of the analysis is the determination and reduction of the electromagnetic background in peripheral Pb-Pb collisions and the determination of nch based on the measured multiplicity nacc . The different collision systems show similar behavior with increasing multiplicity. The steepest increase occurs at low multiplicities and changes for all collision systems at nch = 14. With higher multiplicities, the slope reduces further, with the effect being most pronounced in Pb-Pb collisions.
Famotidine inhibits toll-like receptor 3-mediated inflammatory signaling in SARS-CoV-2 infection
(2021)
Apart from prevention using vaccinations, the management options for COVID-19 remain limited. In retrospective cohort studies, use of famotidine, a specific oral H2 receptor antagonist (antihistamine), has been associated with reduced risk of intubation and death in patients hospitalized with COVID-19. In a case series, nonhospitalized patients with COVID-19 experienced rapid symptom resolution after taking famotidine, but the molecular basis of these observations remains elusive. Here we show using biochemical, cellular, and functional assays that famotidine has no effect on viral replication or viral protease activity. However, famotidine can affect histamine-induced signaling processes in infected Caco2 cells. Specifically, famotidine treatment inhibits histamine-induced expression of Toll-like receptor 3 (TLR3) in SARS-CoV-2 infected cells and can reduce TLR3-dependent signaling processes that culminate in activation of IRF3 and the NF-κB pathway, subsequently controlling antiviral and inflammatory responses. SARS-CoV-2-infected cells treated with famotidine demonstrate reduced expression levels of the inflammatory mediators CCL-2 and IL6, drivers of the cytokine release syndrome that precipitates poor outcome for patients with COVID-19. Given that pharmacokinetic studies indicate that famotidine can reach concentrations in blood that suffice to antagonize histamine H2 receptors expressed in mast cells, neutrophils, and eosinophils, these observations explain how famotidine may contribute to the reduced histamine-induced inflammation and cytokine release, thereby improving the outcome for patients with COVID-19.
In this thesis we investigate the thermodynamic and dynamic properties of the D-dimensional quantum Heisenberg ferromagnet within the spin functional renormalization group (FRG); a
formalism describing the evolution of the system’s observables as the magnetic exchange inter-action is artificially deformed. Following an introduction providing a self contained summary of the conceptual and mathematical background, we present the spin FRG as developed by Krieg and Kopietz in references [1] and [2] in chapter two. Thereto, the generating functional of the imaginary time-spin correlation functions and its exact flow equation describing the deformation process of the exchange interaction are introduced. In addition, it is highlighted that - in contrast to conventional field-theoretic FRG approaches - the related Legendre trans-formed functional cannot be defined if the exchange interaction is initially switched off. Next, we show that this limitation can be circumvented within an alternativ hybrid approach, which treats transverse and longitudinal spin fluctuations differently. The relevant functionals are introduced and the relations of the corresponding functional Taylor coefficients with the spin correlation functions are discussed. Lastly, the associated flow equations are derived and the possibility of explicit or spontaneous symmetry breaking is taken into account.
In chapter three, we benchmark the hybrid formalism against a calculation of the thermo-dynamic properties of the one and two-dimensional Heisenberg model at low temperatures T and finite magnetic field H. For this purpose, we devise an anisotropic deformation scheme of the exchange interaction which allows for a controlled truncation of the infinite hierarchy of FRG flow equations. Thereby, contact with mean-field and spin-wave theory is made and the violation of the Mermin-Wagner theorem is discussed. To fulfill the latter, the truncation scheme is then complemented by a Ward identity relating the transverse self-energy and the magnetization. The resulting magnetization M (H, T ) and isothermal susceptibility χ(H, T ) are in quantitative agreement with the literature and the established behavior of the transverse correlation length and the zero-field susceptibility close to the critical point is qualitatively reproduced in the limit H → 0.
Finally, we investigate the longitudinal dynamics at low temperatures. To this end, the hierarchy of flow equations is solved within the same anisotropic deformation scheme complemented by an expansion in the inverse interaction range, and the resulting longitudinal dynamic structure factor is calculated within a low-momentum expansion. In D = 3, the large phase space accessible for the decay into transverse magnons yields only a broad hump centered at zero frequency whose width scales linearly in momentum. In contrast, at low temperatures and in a certain range of magnetic fields, a well-defined quasiparticle peak with linear dispersion emerges in D ≤ 2, which we identify as zero-magnon sound. Sound velocity and damping are discussed as a function of temperature and magnetic field, and the relevant momentum-frequency window is estimated and compared to the hydrodynamic
second-magnon regime.
Anti-inflammatory effects of low-dose irradiation often follow a non-linear dose–effect relationship. These characteristics were also described for the modulation of leukocyte adhesion to endothelial cells. Previous results further revealed a contribution of reactive oxygen species (ROS) and anti-oxidative factors to a reduced leukocyte adhesion. Here, we evaluated the expression of anti-oxidative enzymes and the transcription factor Nrf2 (Nuclear factor-erythroid-2-related factor 2), intracellular ROS content, and leukocyte adhesion in primary human microvascular endothelial cells (HMVEC) upon low-dose irradiation under physiological laminar shear stress or static conditions after irradiation with X-ray or Carbon (C)-ions (0–2 Gy). Laminar conditions contributed to increased mRNA expression of anti-oxidative factors and reduced ROS in HMVEC following a 0.1 Gy X-ray and 0.5 Gy C-ion exposure, corresponding to reduced leukocyte adhesion and expression of adhesion molecules. By contrast, mRNA expression of anti-oxidative markers and adhesion molecules, ROS, and leukocyte adhesion were not altered by irradiation under static conditions. In conclusion, irradiation of endothelial cells with low doses under physiological laminar conditions modulates the mRNA expression of key factors of the anti-oxidative system, the intracellular ROS contents of which contribute at least in part to leucocyte adhesion, dependent on the radiation source.
Ziel dieser Dissertation ist es, die Gleichgewichts- und Nichtgleichgewichts-Eigenschaften des stark wechselwirkenden QGP-Mediums nahe dem Phasenübergang unter extremen Bedingungen von hohen T und hohen Baryonendichten mit Hilfe der kinetischen Theorie im Rahmen von effektiven Modellen zu untersuchen. Wir werden zunächst die thermodynamischen und Transporteigenschaften des QGPs in der Nähe des Gleichgewichts auf der Basis des DQPM im Bereich moderater chemischer Baryonenpotentiale μB ≥ 0.5 GeV untersuchen. Insbesondere werden die EoS und die Schallgeschwindigkeit sowie die Transportkoeffizienten des QGP auf der Grundlage des DQPM bei endlichen T und μB berechnet. Transportkoeffizienten sind besonders interessant, da sie Informationen über die Wechselwirkungen im Medium erlauben, das im Gleichgewicht durch eine Temperatur T und ein chemisches Potential μB charakterisiert werden kann. Unter Berücksichtigung der Transportkoeffizienten und der EoS der QGP-Phase vergleichen wir unsere Ergebnisse mit verschiedenen Resultaten aus der Literatur, in denen Transportkoeffizienten des QGPs auf Basis von effektiven Modellen vorwiegend bei Null oder kleinem chemischen Potentialen untersucht wurden.
Darüber hinaus werden in Kapitel 3 die Gleichgewichtseigenschaften des QGPs und insbesondere die Auswirkungen der μB-Abhängigkeit der thermodynamischen und Transporteigenschaften des QGPs im Rahmen des erweiterten PHSD-Transportansatzes untersucht, der die vollständige Entwicklung des Systems einschließlich der partonischen Phase umfasst. Die Entwicklung des PHSD-Transportansatzes wird in der partonischen Phase erweitert, indem explizit die gesamt- und differentiellen partonischen Streuquerschnitte auf der Grundlage des DQPM berechnet und bei der tatsächlichen Temperatur T und dem baryonischen chemischen Potential μB in jeder einzelnen Raum-Zeit-Zelle, in der die partonische Streuung stattfindet, ausgewertet werden.
Um die Spuren der μB-Abhängigkeit des QGPs in den Observablen zu untersuchen, werden die Ergebnisse von PHSD5.0 (mit μB-Abhängigkeiten) mit den Ergebnissen von PHSD5.0 für μB = 0 sowie mit PHSD4.0, in dem die Massen/Breiten der Quarks und Gluonen sowie deren Wechselwirkungsquerschnitte nur von T abhängen, verglichen. Wir diskutieren die PHSD-Ergebnisse für verschiedene Observablen: (i) Rapiditäts- und pT -Verteilungen von identifizierten Hadronen für symmetrische Au+Au- und Pb+Pb- Kollisionen bei Energien von 30 AGeV (zukünftige NICA-Energie) sowie für die RHIC-Spitzenenergie von √sNN = 200 GeV; (ii) gerichteter Fluss v1 von identifizierten Hadronen für Au + Au bei invarianter Energie √sNN = 27 GeV und 200 GeV; (iii) elliptischer Fluss v2 der identifizierten Hadronen für Au+Au bei invarianten Energien √sNN = 27 und 200 GeV. Der Vergleich der "Bulk"-Observablen für Au+Au-Kollisionen innerhalb der drei PHSD-Einstellungen hat gezeigt, dass sie eine recht geringe Empfindlichkeit gegenüber den μB -Abhängigkeiten der Partoneigenschaften (Massen und Breiten) und ihrer Wechselwirkungsquerschnitte aufweisen, sodass die Ergebnisse von PHSD5.0 mit und ohne μB sehr nahe beieinander liegen. Nur im Fall von Kaonen, Antiprotonen ̄p und Antihyperonen ̄Λ + ̄Σ0 konnte ein kleiner Unterschied zwischen PHSD4.0 und PHSD5.0 bei den höchsten SPS- und RHIC-Energien festgestellt werden.
Wir finden nur geringe Unterschiede zwischen den Ergebnissen von PHSD4.0 und PHSD5.0 für die hier betrachteten hadronischen Observablen sowohl bei hohen als auch bei mittleren Energien. Dies hängt damit zusammen, dass bei hohen Energien, wo die Materie vom QGP dominiert wird, ein sehr kleines chemisches Baryonenpotential μB in zentralen Kollisionen bei mittlerer Rapidität gemessen wird, während mit abnehmender Energie und größerem μB der Anteil des QGPs rapide abnimmt, sodass die endgültigen Beobachtungswerte insgesamt von den Hadronen dominiert werden, die an der hadronischen Rückstreuung teilgenommen haben, und somit die Information über ihren QGP-Ursprung verwaschen oder verloren geht.
In Kapitel 4 betrachten wir die Transportkoeffizienten von QGP-Materie im erweiterten Polyakov-NJL-Modell entlang der Übergangslinie für moderate Werte des chemischen Baryonenpotenzials 0 ≤ μB ≤ 0.9 GeV sowie in der Nähe des kritischen Endpunkts(CEP) und bei großem chemischen Baryonenpotenzial μB = 1.2 GeV, wo ein Phasenübergang erster Ordnung stattfindet. Wir untersuchen, wie die Natur der Freiheitsgrade die Transporteigenschaften des QGPs beeinflusst. Darüber hinaus demonstrieren wir die Auswirkungen des Phasenübergangs erster Ordnung und des CEP auf die Transportkoeffizienten im dekonfinierten QCD-Medium.
Darüber hinaus wird in Kapitel 5 eine phänomenologische Erweiterung des DQPM auf große baryonchemische Potentiale μB einschließlich der Region mit einem möglichen CEP und späterem Phasenübergang erster Ordnung betrachtet. Eines der wichtigsten Merkmale des Modells ist das Auftreten einer ’kritischen‘ Skalierung in der Nähe des CEP. Das Hauptziel des vorgestellten Modells besteht darin, die mikroskopischen und makroskopischen Eigenschaften der partonischen Freiheitsgrade für den Bereich des Phasendiagramms bereitzustellen, der durch moderates T und moderates oder hohes μB gekennzeichnet ist.
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In this roadmap article, we have focused on the most recent advances in terahertz (THz) imaging with particular attention paid to the optimization and miniaturization of the THz imaging systems. Such systems entail enhanced functionality, reduced power consumption, and increased convenience, thus being geared toward the implementation of THz imaging systems in real operational conditions. The article will touch upon the advanced solid-state-based THz imaging systems, including room temperature THz sensors and arrays, as well as their on-chip integration with diffractive THz optical components. We will cover the current-state of compact room temperature THz emission sources, both optolectronic and electrically driven; particular emphasis is attributed to the beam-forming role in THz imaging, THz holography and spatial filtering, THz nano-imaging, and computational imaging. A number of advanced THz techniques, such as light-field THz imaging, homodyne spectroscopy, and phase sensitive spectrometry, THz modulated continuous wave imaging, room temperature THz frequency combs, and passive THz imaging, as well as the use of artificial intelligence in THz data processing and optics development, will be reviewed. This roadmap presents a structured snapshot of current advances in THz imaging as of 2021 and provides an opinion on contemporary scientific and technological challenges in this field, as well as extrapolations of possible further evolution in THz imaging.
The realization of a fast and robust closed orbit feedback (COFB) system for the on-ramp orbit correction at SIS18 synchrotron of FAIR project is reported in this thesis. SIS18 has some peculiar behaviors including on-ramp optics variation, very short lengths of the ramps (200 ms to 1 s) and a cycle-to-cycle variation of beam parameters. The realized fast COFB system being robust against above mentioned features of SIS18 is a first of its kind and the course to its realization led to some novel contributions in the field of closed orbit correction. A new method relying on the discrete Fourier transform (DFT)-based decomposition of the orbit response matrix (ORM) has been introduced, exploiting the symmetry in the arrangement of beam position monitors (BPMs) and the corrector magnets in the synchrotrons. A nearest-circulant approximation has also been introduced for synchrotrons having slight deviation from the symmetry, making the method applicable to a vast majority of synchrotrons. Moreover, the performance and the stability analysis of COFB systems in the presence of ORM mismatch between the synchrotron and the feedback controller is presented. The COFB systems are divided into slow and fast regimes and a new stability criterion consistent with measurements, is introduced. The practicality of the criterion is verified experimentally at COSY Jülich and is used for the analysis of various sources of ORM mismatch at SIS18. The commissioning of the SIS18 COFB system is also reported in detail which relies on Libera Hadron as the main hardware resource for the controller implementation. The on-ramp orbit correction is demonstrated for the horizontal plane of SIS18, for the disturbance rejection up to 600 Hz.
The present research in high energy physics as well as in the nuclear physics requires the use of more powerful and complex particle accelerators to provide high luminosity, high intensity, and high brightness beams to experiments. With the increased technological complexity of accelerators, meeting the demand of experimenters necessitates a blend of accelerator physics with technology. The problem becomes severe when optimization of beam quality has to be provided in accelerator systems with thousands of free parameters including strengths of quadrupoles, sextupoles, RF voltages, etc. Machine learning methods and concepts of artificial intelligence are considered in various industry and scientific branches, and recently, these methods are used in high energy physics mainly for experiments data analysis.
In Accelerator Physics the machine learning approach has not found a wide application yet, and in general the use of these methods is carried out without a deep understanding on their effectiveness with respect to more traditional schemes or other alternative approaches. The purpose of this PhD research is to investigate the methods of machine learning applied to accelerator optimization, accelerator control and in particular on optics measurements and corrections. Optics correction, maximization of acceptance, and simultaneous control of various accelerator components such as focusing magnets is a typical accelerator scenario. The effectiven- ess of machine learning methods in a complex system such as the Large Hadron Collider, which beam dynamics exhibits nonlinear response to machine settings is the core of the study. This work presents successful application of several machine learning techniques such as clustering, decision trees, linear multivariate models and neural networks to beam optics measurements and corrections at the LHC, providing the guidelines for incorporation of machine learning techniques into accelerator operation and discussing future opportunities and potential work in this field.
New drugs are urgently needed to combat the global TB epidemic. Targeting simultaneously multiple respiratory enzyme complexes of Mycobacterium tuberculosis is regarded as one of the most effective treatment options to shorten drug administration regimes, and reduce the opportunity for the emergence of drug resistance. During infection and proliferation, the cytochrome bd oxidase plays a crucial role for mycobacterial pathophysiology by maintaining aerobic respiration at limited oxygen concentrations. Here, we present the cryo-EM structure of the cytochrome bd oxidase from M. tuberculosis at 2.5 Å. In conjunction with atomistic molecular dynamics (MD) simulation studies we discovered a previously unknown MK-9-binding site, as well as a unique disulfide bond within the Q-loop domain that defines an inactive conformation of the canonical quinol oxidation site in Actinobacteria. Our detailed insights into the long-sought atomic framework of the cytochrome bd oxidase from M. tuberculosis will form the basis for the design of highly specific drugs to act on this enzyme.
Vibrational energy transfer (VET) is essential for protein function. It is responsible for efficient energy dissipation in reaction sites, and has been linked to pathways of allosteric communication. While it is understood that VET occurs via backbone as well as via non-covalent contacts, little is known about the competition of these two transport channels, which determines the VET pathways. To tackle this problem, we equipped the β-hairpin fold of a tryptophan zipper with pairs of non-canonical amino acids, one serving as a VET injector and one as a VET sensor in a femtosecond pump probe experiment. Accompanying extensive non-equilibrium molecular dynamics simulations combined with a master equation analysis unravel the VET pathways. Our joint experimental/computational endeavor reveals the efficiency of backbone vs. contact transport, showing that even if cutting short backbone stretches of only 3 to 4 amino acids in a protein, hydrogen bonds are the dominant VET pathway.
The β-barrel assembly machinery (BAM) consisting of the central β-barrel BamA and four other lipoproteins mediates the folding of the majority of the outer membrane proteins. BamA is placed in an asymmetric bilayer and its lateral gate is suggested to be the functional hotspot. Here we used in situ pulsed electron-electron double resonance spectroscopy to characterize BamA in the native outer membrane. In the detergent micelles, the data is consistent with mainly an inward-open conformation of BamA. The native membrane considerably enhanced the conformational heterogeneity. The lateral gate and the extracellular loop 3 exist in an equilibrium between different conformations. The outer membrane provides a favorable environment for occupying multiple conformational states independent of the lipoproteins. Our results reveal a highly dynamic behavior of the lateral gate and other key structural elements and provide direct evidence for the conformational modulation of a membrane protein in situ.
Upon antibiotic stress Gram-negative pathogens deploy resistance-nodulation-cell division-type tripartite efflux pumps. These include a H+/drug antiporter module that recognizes structurally diverse substances, including antibiotics. Here, we show the 3.5 Å structure of subunit AdeB from the Acinetobacter baumannii AdeABC efflux pump solved by single-particle cryo-electron microscopy. The AdeB trimer adopts mainly a resting state with all protomers in a conformation devoid of transport channels or antibiotic binding sites. However, 10% of the protomers adopt a state where three transport channels lead to the closed substrate (deep) binding pocket. A comparison between drug binding of AdeB and Escherichia coli AcrB is made via activity analysis of 20 AdeB variants, selected on basis of side chain interactions with antibiotics observed in the AcrB periplasmic domain X-ray co-structures with fusidic acid (2.3 Å), doxycycline (2.1 Å) and levofloxacin (2.7 Å). AdeABC, compared to AcrAB-TolC, confers higher resistance to E. coli towards polyaromatic compounds and lower resistance towards antibiotic compounds.
How long does it take to emit an electron from an atom? This question has intrigued scientists for decades. As such emission times are in the attosecond regime, the advent of attosecond metrology using ultrashort and intense lasers has re-triggered strong interest on the topic from an experimental standpoint. Here, we present an approach to measure such emission delays, which does not require attosecond light pulses, and works without the presence of superimposed infrared laser fields. We instead extract the emission delay from the interference pattern generated as the emitted photoelectron is diffracted by the parent ion’s potential. Targeting core electrons in CO, we measured a 2d map of photoelectron emission delays in the molecular frame over a wide range of electron energies. The emission times depend drastically on the photoelectrons’ emission directions in the molecular frame and exhibit characteristic changes along the shape resonance of the molecule.
Quasi-universal behavior of the threshold mass in unequal-mass, spinning binary neutron star mergers
(2021)
The lifetime of the remnant produced by the merger of two neutron stars can provide a wealth of information on the equation of state of nuclear matter and on the processes leading to the electromagnetic counterpart. Hence, it is essential to determine when this lifetime is the shortest, corresponding to when the remnant has a mass equal to the threshold mass, Mth, to prompt collapse to a black hole. We report on the results of more than 360 simulations of merging neutron-star binaries covering 40 different configurations differing in mass ratio and spin of the primary. Using this data, we have derived a quasi-universal relation for Mth and expressed its dependence on the mass ratio and spin of the binary. The new expression recovers the results of Koeppel et al. for equal-mass, irrotational binaries and reveals that Mth can increase (decrease) by 5% (10%) for binaries that have spins aligned (antialigned) with the orbital angular momentum and provides evidence for a nonmonotonic dependence of Mth on the mass asymmetry in the system. Finally, we extend to unequal masses and spinning binaries the lower limits that can be set on the stellar radii once a neutron star binary is detected, illustrating how the merger of an unequal-mass, rapidly spinning binary can significantly constrain the allowed values of the stellar radii.
We present the first holographic simulations of non-equilibrium steady state formation in strongly coupled N=4 SYM theory in 3+1 dimensions. We initially join together two thermal baths at different temperatures and chemical potentials and compare the subsequent evolution of the combined system to analytic solutions of the corresponding Riemann problem and to numeric solutions of ideal and viscous hydrodynamics. The time evolution of the energy density that we obtain holographically is consistent with the combination of a shock and a rarefaction wave: A shock wave moves towards the cold bath, and a smooth broadening wave towards the hot bath. Between the two waves emerges a steady state with constant temperature and flow velocity, both of which are accurately described by a shock+rarefaction wave solution of the Riemann problem. In the steady state region, a smooth crossover develops between two regions of different charge density. This is reminiscent of a contact discontinuity in the Riemann problem. We also obtain results for the entanglement entropy of regions crossed by shock and rarefaction waves and find both of them to closely follow the evolution of the energy density.
The upcoming commissioning of the superconducting (SC) continuous wave Helmholtz linear accelerators first of series cryomodule is going to demand precise alignment of the four internal SC cavities and two SC solenoids. For optimal results, a beam-based alignment method is used to reduce the misalignment of the whole cryomodule, as well as its individual components. A symmetric beam of low transverse emittance is required for this method, which is to be formed by a collimation system. It consists of two separate plates with milled slits, aligned in the horizontal and vertical direction. The collimation system and alignment measurements are proposed, investigated, and realized. The complete setup of this system and its integration into the existing environment at the GSI High Charge State Injector are presented, as well as the results of the recent reference measurements.
This paper reports on Monte Carlo simulation results for future measurements of the moduli of time-like proton electromagnetic form factors, |GE | and |GM|, using the ¯pp → μ+μ− reaction at PANDA (FAIR). The electromagnetic form factors are fundamental quantities parameterizing the electric and magnetic structure of hadrons. This work estimates the statistical and total accuracy with which the form factors can be measured at PANDA, using an analysis of simulated data within the PandaRoot software framework. The most crucial background channel is ¯pp → π+π−,due to the very similar behavior of muons and pions in the detector. The suppression factors are evaluated for this and all other relevant background channels at different values of antiproton beam momentum. The signal/background separation is based on a multivariate analysis, using the Boosted Decision Trees method. An expected background subtraction is included in this study, based on realistic angular distribuations of the background contribution. Systematic uncertainties are considered and the relative total uncertainties of the form factor measurements are presented.
The cosmological implications of the Covariant Canonical Gauge Theory of Gravity (CCGG) are investigated. CCGG is a Palatini theory derived from first principles using the canonical transformation formalism in the covariant Hamiltonian formulation. The Einstein-Hilbert theory is thereby extended by a quadratic Riemann-Cartan term in the Lagrangian. Moreover, the requirement of covariant conservation of the stress-energy tensor leads to necessary presence of torsion. In the Friedman universe that promotes the cosmological constant to a time-dependent function, and gives rise to a geometrical correction with the EOS of dark radiation. The resulting cosmology, compatible with the ΛCDM parameter set, encompasses bounce and bang scenarios with graceful exits into the late dark energy era. Testing those scenarios against low-z observations shows that CCGG is a viable theory.
The COLTRIMS Reaction Microscope C-REMI can image the momentum vectors of all emitted charged fragments in an atomic or molecular reactions similar to the bubble chamber in high energy particle physics. C-REMI can detect fragments with “zero” kinetic energy in an ultrahigh vacuum environment by projecting them with weak electromagnetic fields onto position-sensitive detectors. Geometrically a nearly 4π collection solid angle and a nearly 50% efficiency for a fivefold multi-coincidence can be achieved. Measuring time-of-flight and detector position the momenta of the fragments can be measured with excellent resolution (<0.01 a.u.; see A1 in the Appendix). Thus, multivector correlations in momentum space are measured, which provide insight into the entangled dynamics of atomic and molecular quantum systems. From these vector-correlations phases and energies can be deduced which allow for relative time measurements even in the zeptosecond range. C-REMI provides a “spyhole” into the secrets of ultrafast dynamics of atomic and molecular processes. It is applied today around the globe in numerous research projects in physics and chemistry. The purpose for writing this article is to demonstrate the universal application possibilities of C-REMI, and its high multi-coincidence efficiency and high momentum resolution. This paper will not give a review on all milestone experiments performed with C-REMI.
When a very strong light field is applied to a molecule an electron can be ejected by tunneling. In order to quantify the time-resolved dynamics of this ionization process, the concept of the Wigner time delay can be used. The properties of this process can depend on the tunneling direction relative to the molecular axis. Here, we show experimental and theoretical data on the Wigner time delay for tunnel ionization of H2 molecules and demonstrate its dependence on the emission direction of the electron with respect to the molecular axis. We find, that the observed changes in the Wigner time delay can be quantitatively explained by elongated/shortened travel paths of the emitted electrons, which occur due to spatial shifts of the electrons’ birth positions after tunneling. Our work provides therefore an intuitive perspective towards the Wigner time delay in strong-field ionization.
Classical light microscopy is one of the main tools for science to study small things. Microscopes and their technology and optics have been developed and improved over centuries, however their resolution is ultimately restricted physically by the diffraction of light based on its wave nature described by Maxwell’s equations. Hence, the nanoworld – often characterized by sub-100-nm structural sizes – is not accessible with classical far-field optics (apart from special x-ray laser concepts) since its lateral resolution scales with the wavelength.
It was not until the 20th century that various technologies emerged to circumvent the diffraction limit, including so-called near-field microscopy. Although conceptually based on Maxwell’s long known equations, it took a long time for the scientific community to recognize its powerful opportunities and the first embodiments of near-field microscopes were developed. One representative of them is the scattering-type Scanning Near-field Optical Microscope (s-SNOM). It is a Scanning Probe Microscope (SPM) that enables imaging and spectroscopy at visible light frequencies down to even radio waves with a sub-100-nm resolution regardless of the wavelength used. This work also reflects this wide spectral range as it contains applications from near-infrared light down to deep THz/GHz radiation.
This thesis is subdivided into two parts. First, new experimental capabilities for the s-SNOM are demonstrated and evaluated in a more technical manner. Second, among other things, these capabilities are used to study various transport phenomena in solids, as already indicated in the title.
On the technical side, preliminary studies on the suitability of the qPlus sensor – a novel scanning probe technology – for near-field microscopy are presented.
The scanning head incorporating the qPlus sensor–named TRIBUS – is originally intended and built for ultra-high vacuum, low temperature, and high resolution applications. These are desirable environments and properties for sensitive nearfield measurements as well. However, since its design was not planned for near-field measurements, several special technical and optical aspects have to be taken into account, among others the scanning tip design and a spring suspended measurement head.
In addition, in this thesis field-effect transistors are used as THz detectors in an s-SNOM for the first time. Although THz s-SNOM is already an emerging technology, it still suffers from the requirements of sophisticated and specialized infrastructure on both the detector and laser side. Field-effect transistors offer an alternative that is flexible, cost-efficient, room-temperature operating, and easy to handle. Here, their suitability for s-SNOM measurements, which in general require very sensitive and fast detectors, is evaluated.
In the scientific part of this thesis, electromagnetic surface waves on silver nanowires and the conductivity/charge carrier density in silicon are investigated. Both are completely different concepts of transport phenomena, but this already shows the general versatility of the s-SNOM as it can enter both fields. Silver nanowires are analysed by means of near-infrared radiation. Their plasmonic behaviour in this spectral region is studied complementing other simulations and studies in literature performed on them using for example far-field optics.
Furthermore, the surface wave imaging ability of the s-SNOM in the near-infrared regime is thoroughly investigated in this thesis. Mapping surface waves in the mid-infrared regime is widespread in the community, however for much smaller wavelengths there are several important aspects to be considered additionally, such as the smaller focal spot size.
After that, doped and photo-excited silicon substrates are investigated. As the characteristic frequencies of charge carriers in semiconductors – described by the plasma frequency and the Drude model – are within the THz range, the THz s-SNOM is very well suited to probe their behaviour and to reveal contrasts, which has already been shown qualitatively by numerous literature reports. Here, the photo-excitation enables to set and tune the charge carrier density continuously.
Furthermore, the analysis of all silicon samples focuses on a quantitative extraction of the charge carrier densities and doping levels ...
This work aims at radar sensors in the frequency band from 57 to 64 GHz that can be embedded in wind turbine blades during manufacturing, enabling non-destructive quality inspection directly after production and structural health monitoring (SHM) during the complete service life of the blade. In this paper, we show the fundamental damage detection capability of this sensor technology during fatigue testing of typical rotor blade materials. Therefore, a frequency modulated continuous wave (FMCW) radar sensor is used for damage diagnostics, and the results are validated by simultaneous camera recordings. Here, we focus on the failure modes delamination, fiber waviness (ondulation), and inter-fiber failure. For each failure mode, three samples have been designed and experimentally investigated during fatigue testing. A damage index has been proposed based on residual, that is, differential, signals exploiting measurements from pristine structural conditions. This study shows that the proposed innovative radar approach is able to detect continuous structural degradation for all failure modes by means of gradual signal changes.
This study presents an ultra-wideband, elliptical slot, planar monopole antenna for early breast cancer microwave imaging. The on-body antenna's operation is optimised by direct contact with the patient's skin. With a compact size of 9 × 7 mm, the antenna covers a wide bandwidth from 16 to 24 GHz for reflection coefficients lower than –10 dB. Besides, it also features an electrode for electrical impedance tomography applications. Verification on a volunteer's breast gives an excellent agreement with the simulation for the defined bandwidth. Furthermore, as the first stage of the system's characterisation, pork fat is also used to demonstrate the possibility to enhance the transmission between the antennas within the high loss environment. Those results propose the feasibility of implementing a high-frequency radar system for breast cancer detection.
In dieser Bachelorarbeit werden verschiedene Methoden zur Bestimmung der Betriebsfrequenz von CH-Kavitäten untersucht. Aufgrund der geometrisch komplexen Form der Beschleunigungsstruktur, können die Eigenfrequenzen nicht mithilfe von analytischen Methoden bestimmt werden. Üblicherweise werden die Eigenfrequenzen, ihre Ladungsund Stromdichten, sowie die elektromagnetischen Felder über numerische Methoden der Computational Electromagnetics (CEM) ermittelt. Die CEM ist eine junge Disziplin, deren Performanz und Anwendungsgebiete in den letzten 20 Jahren rapide gewachsen sind. Hauptverantwortlich hierfür ist zum einen das exponentielle Wachstum der Rechenleitung bei gleichbleibenden Kosten, zum anderen die Entwicklung und Verbesserung der Algorithmen. Bis zum Ende des letzten Jahrhunderts wurden elektronische Komponenten hauptsächlich dadurch entwickelt, indem Prototypen angefertigt und analysiert wurden. Diese zeitaufwendige und kostspielige Herangehensweise ist heutzutage nahezu vollständig durch CEM-Simulationen ersetzt worden. Die Hauptmethoden der CEM sind die Finite-Differenzen-Methode (FDM), die Momenten-Methode (MoM) und die Finite-Elemente-Methode (FEM). Für die Bestimmung der Eigenwerte und Eigenvektoren der Beschleunigungsstrukturen eignet sich aufgrund der Stabilität von diesen Dreien am besten die Methode der finiten Elemente. Da die FEM ein rechen- und speicherintensives Verfahren ist, wurde in dieser Arbeit nach einer schnelleren Methode gesucht, um die Betriebsfrequenz von CH-Kavitäten zu bestimmen. Hierfür wurden 84 CH-Kavitäten mithilfe von CST Studio Suite erstellt und simuliert. Es handelt sich hierbei um vier Grundtypen, drei wurden bei einer fixierten Sollfrequenz von 300 MHz konstruiert; die Sollfrequenz des vierten Grundtyps betrug 175 MHz. Die Teilchengeschwindigkeit wurde jeweils in 0,01er-Schrtitten von 0,05 c bis 0,25 c variiert. Aus den Untersuchungen der EM-Felder wurde anschließend ein semi-analytisches Modell entwickelt, das aufgrund der Geometrie der CH-Kavität die Betriebsfrequenz liefern soll.
Many Polyakov loop models can be written in a dual formulation which is free of sign problem even when a non-vanishing baryon chemical potential is introduced in the action. Here, results of numerical simulations of a dual representation of one such effective Polyakov loop model at finite baryon density are presented. We compute various local observables such as energy density, baryon density, quark condensate and describe in details the phase diagram of the model. The regions of the first order phase transition and the crossover, as well as the line of the second order phase transition, are established. We also compute several correlation functions of the Polyakov loops.
Biological as well as advanced artificial intelligences (AIs) need to decide which goals to pursue. We review nature's solution to the time allocation problem, which is based on a continuously readjusted categorical weighting mechanism we experience introspectively as emotions. One observes phylogenetically that the available number of emotional states increases hand in hand with the cognitive capabilities of animals and that raising levels of intelligence entail ever larger sets of behavioral options. Our ability to experience a multitude of potentially conflicting feelings is in this view not a leftover of a more primitive heritage, but a generic mechanism for attributing values to behavioral options that can not be specified at birth. In this view, emotions are essential for understanding the mind. For concreteness, we propose and discuss a framework which mimics emotions on a functional level. Based on time allocation via emotional stationarity (TAES), emotions are implemented as abstract criteria, such as satisfaction, challenge and boredom, which serve to evaluate activities that have been carried out. The resulting timeline of experienced emotions is compared with the “character” of the agent, which is defined in terms of a preferred distribution of emotional states. The long-term goal of the agent, to align experience with character, is achieved by optimizing the frequency for selecting individual tasks. Upon optimization, the statistics of emotion experience becomes stationary.
Some terms identify enigmata of today’s cosmology: “Inflation” is expected to explain the homogeneity and isotropy of the cosmic background. The repulsive force of a “dark energy” shall prevent a re-collapse of the cosmos. The additional gravitational effect of a “dark matter” was originally supposed to explain the deviations of the rotation curves of the galaxies from Kepler’s laws. Adopting a theory founded on the core notion of absolute quantum information–Protyposis–being a cosmological concept from the outset, the observed phenomena can be explained without postulating further unknown specific “particles” or “fields”. Moreover, this theory allows for a rationalization of the fact that huge black holes with their enormous jet structures, acting as “seeds” of the galaxies, are detected ever closer to the big bang. The problem of the rotation curves in the galaxies can be addressed outside of General Relativity within a Newtonian approximation: by an attenuation of the gravitational acceleration as in the modified Newtonian dynamics, or by the effect of additional invisible “particles of dark matter”, yet unknown and not yet established in natural sciences. Within the Protyposis theory, these problems are solved without having to invent a lot of parameters. The cosmology of the Protyposis causes the change of the gravitational acceleration in the vicinity of large (black hole) masses and, at the same time, avoids a recollapse of the cosmos for which a cosmological constant or “dark energy” was invented.
A single wavelength heterodyne interferometer has been set up to investigate the free electron density integrated axially along the line of sight (line density) in a theta-pinch plasma to determine its applicability as a plasma target for ion beam stripping. The maximal line density reached in this experiment was (3.57 ± 0.28) × 1018 cm−2 at 80 Pa and 20 kV. The findings demonstrate the pulsed character of the line density and its increase by raising the load voltage and the working gas pressure. Additionally, the results were compared with spectroscopic free electron density estimations, which were carried out by Hβ -line broadening and peak separation. The time behavior of the line density indicates that its peak value is delayed by about 10 μs compared to the spectroscopic results. This effect is due to the formation of an extended, magnetically compressed plasma column in the vicinity of the current maximum, although the highest volumetric free electron density is reached near the current zero crossing. Since the line density is an essential parameter in describing the stripping capabilities of the plasma target, the interferometric diagnostic is superior to a spectroscopic diagnostic, because it directly provides integrated values along the line of sight. Furthermore, the measurements of the line density in this experiment partially show nonphysical negative values, which is due to gaseous effects and residual shot vibrations.
The RFQ direct injection project (RFQ-DIP) for the neutrino physics experiment IsoDAR aims at an efficient injection of a high-current H²⁺ beam into the dedicated 60 MeV driver cyclotron. Therefore, it is intended to use a compact 32.8 MHz RFQ structure of the split-coaxial type as a pre-buncher. To determine the thermal elongation of the 1.4 m long electrode rods as well as the thermal frequency detuning of the RF structure at a maximum nominal power load of 3.6 kW, an extensive thermal and structural mechanical analysis using COMSOL Multiphysics was conducted. The water heating along the cooling channels as well as the properties of heat transfer from the copper structure to the cooling water were taken into account, which required CFD simulations of the cooling water flow in the turbulent regime. Here we present the methods and results of the sophisticated thermal and structural mechanical simulations using COMSOL and provide a comparison to more simplistic simulations conducted with CST Studio Suite.
Mixing and magnetic fields in asymptotic giant branch stars in the framework of FRUITY models
(2021)
In the last few years, the modeling of asymptotic giant branch (AGB) stars has been much investigated, both focusing on nucleosynthesis and stellar evolution aspects. Recent advances in the input physics required for stellar computations made it possible to construct more accurate evolutionary models, which are an essential tool to interpret the wealth of available observational and nucleosynthetic data. Motivated by such improvements, the FUNS stellar evolutionary code has been updated. Nonetheless, mixing processes occurring in AGB stars’ interiors are currently not well-understood. This is especially true for the physical mechanism leading to the formation of the 13C pocket, the major neutron source in low-mass AGB stars. In this regard, post-processing s-process models assuming that partial mixing of protons is induced by magneto-hydrodynamics processes were shown to reproduce many observations. Such mixing prescriptions have now been implemented in the FUNS code to compute stellar models with fully coupled nucleosynthesis. Here, we review the new generation of FRUITY models that include the effects of mixing triggered by magnetic fields by comparing theoretical findings with observational constraints available either from the isotopic analysis of trace-heavy elements in presolar grains or from carbon AGB stars and Galactic open clusters.
We show that the implementation of the 1/c2 transverse current–current interaction between electrons resulting from the non-relativistic QED into the standard self-consistent electron BCS model in bulk under thermal equilibrium in the stable superconductive phase ensures the full compensation of a constant external magnetic field by the internal magnetic field created by the electrons, i.e. one has an ideal diamagnet.
We study the μ-μ45-T phase diagram of the 2+1-dimensional Gross-Neveu model, where μ denotes the ordinary chemical potential, μ45 the chiral chemical potential and T the temperature. We use the mean-field approximation and two different lattice regularizations with naive chiral fermions. An inhomogeneous phase at finite lattice spacing is found for one of the two regularizations. Our results suggest that there is no inhomogeneous phase in the continuum limit. We show that a chiral chemical potential is equivalent to an isospin chemical potential. Thus, all results presented in this work can also be interpreted in the context of isospin imbalance.
The phase diagram of the (1+1)-dimensional Gross-Neveu model is reanalyzed for (non-)zero chemical potential and (non-)zero temperature within the mean-field approximation. By investigating the momentum dependence of the bosonic two-point function, the well-known second-order phase transition from the Z2 symmetric phase to the so-called inhomogeneous phase is detected. In the latter phase the chiral condensate is periodically varying in space and translational invariance is broken. This work is a proof of concept study that confirms that it is possible to correctly localize second-order phase transition lines between phases without condensation and phases of spatially inhomogeneous condensation via a stability analysis of the homogeneous phase. To complement other works relying on this technique, the stability analysis is explained in detail and its limitations and successes are discussed in context of the Gross-Neveu model. Additionally, we present explicit results for the bosonic wave-function renormalization in the mean-field approximation, which is extracted analytically from the bosonic two-point function. We find regions -- a so-called moat regime -- where the wave function renormalization is negative accompanying the inhomogeneous phase as expected.
In this letter we report the first multi-differential measurement of correlated pion-proton pairs from 2 billion Au+Au collisions at sNN=2.42 GeV collected with HADES. In this energy regime the population of Δ(1232) resonances plays an important role in the way energy is distributed between intrinsic excitation energy and kinetic energy of the hadrons in the fireball. The triple differential d3N/dMπ±pdpTdy distributions of correlated π±p pairs have been determined by subtracting the πp combinatorial background using an iterative method. The invariant-mass distributions in the Δ(1232) mass region show strong deviations from a Breit-Wigner function with vacuum width and mass. The yield of correlated pion-proton pairs exhibits a complex isospin, rapidity and transverse-momentum dependence. In the invariant mass range 1.1<Minv(GeV/c2)<1.4, the yield is found to be similar for π+p and π−p pairs, and to follow a power law 〈Apart〉α, where 〈Apart〉 is the mean number of participating nucleons. The exponent α depends strongly on the pair transverse momentum (pT) while its pT-integrated and charge-averaged value is α=1.5±0.08st±0.2sy.
We use holography to study the dynamics of a strongly-coupled gauge theory in four-dimensional de Sitter space with Hubble rate H. The gauge theory is non-conformal with a characteristic mass scale M. We solve Einstein’s equations numerically and determine the time evolution of homogeneous gauge theory states. If their initial energy density is high compared with H4 then the early-time evolution is well described by viscous hydrodynamics with a non-zero bulk viscosity. At late times the dynamics is always far from equilibrium. The asymptotic late-time state preserves the full de Sitter symmetry group and its dual geometry is a domain-wall in AdS5. The approach to this state is characterised by an emergent relation of the form P = w ℰ that is different from the equilibrium equation of state in flat space. The constant w does not depend on the initial conditions but only on H/M and is negative if the ratio H/M is close to unity. The event and the apparent horizons of the late-time solution do not coincide with one another, reflecting its non-equilibrium nature. In between them lies an “entanglement horizon” that cannot be penetrated by extremal surfaces anchored at the boundary, which we use to compute the entanglement entropy of boundary regions. If the entangling region equals the observable universe then the extremal surface coincides with a bulk cosmological horizon that just touches the event horizon, while for larger regions the extremal surface probes behind the event horizon.
In this work, the phase diagram of the 2+1-dimensional Gross-Neveu model is investigated with baryon chemical potential as well as chiral chemical potential in the mean-field approximation. We study the theory using two lattice discretizations, which are both based on naive fermions. An inhomogeneous chiral phase is observed only for one of the two discretizations. Our results suggest that this phase disappears in the continuum limit.
A deep convolutional neural network (CNN) is developed to study symmetry energy (Esym(ρ)) effects by learning the mapping between the symmetry energy and the two-dimensional (transverse momentum and rapidity) distributions of protons and neutrons in heavy-ion collisions. Supervised training is performed with labeled data-set from the ultrarelativistic quantum molecular dynamics (UrQMD) model simulation. It is found that, by using proton spectra on event-by-event basis as input, the accuracy for classifying the soft and stiff Esym(ρ) is about 60% due to large event-by-event fluctuations, while by setting event-summed proton spectra as input, the classification accuracy increases to 98%. The accuracies for 5-label (5 different Esym(ρ)) classification task are about 58% and 72% by using proton and neutron spectra, respectively. For the regression task, the mean absolute errors (MAE) which measure the average magnitude of the absolute differences between the predicted and actual L (the slope parameter of Esym(ρ)) are about 20.4 and 14.8 MeV by using proton and neutron spectra, respectively. Fingerprints of the density-dependent nuclear symmetry energy on the transverse momentum and rapidity distributions of protons and neutrons can be identified by convolutional neural network algorithm.
Experimental and theoretical studies of fluctuations in nucleus-nucleus interactions at high energies have started to play a major role in understanding of the concept of strong interactions. The elaborated procedures have been developed to disentangle different processes happening during nucleus-nucleus collisions. The fluctuations caused by a variation of the number of nucleons which participated in a collision are frequently considered the unwanted one. The methods to reduce the impact of these fluctuations in fixed-target experiments are reviewed and tested. They can be of key importance in the following ongoing fixed-target heavy-ion experiments: NA61/SHINE at the CERN SPS, STAR-FXT at the BNL RHIC, BMN at JINR Nuclotron, HADES at the GSI SIS18 and in future experiments such as NA60+ at the CERN SPS, CBM at the FAIR SIS100, JHITS at J-PARC-HI MR.
Nuclear pore complexes (NPCs) mediate nucleocytoplasmic transport. Their intricate 120 MDa architecture remains incompletely understood. Here, we report a near-complete structural model of the human NPC scaffold with explicit membrane and in multiple conformational states. We combined AI-based structure prediction with in situ and in cellulo cryo-electron tomography and integrative modeling. We show that linker Nups spatially organize the scaffold within and across subcomplexes to establish the higher-order structure. Microsecond-long molecular dynamics simulations suggest that the scaffold is not required to stabilize the inner and outer nuclear membrane fusion, but rather widens the central pore. Our work exemplifies how AI-based modeling can be integrated with in situ structural biology to understand subcellular architecture across spatial organization levels.
Transport of lipids across membranes is fundamental for diverse biological pathways in cells. Multiple ion-coupled transporters participate in lipid translocation, but their mechanisms remain largely unknown. Major facilitator superfamily (MFS) lipid transporters play central roles in cell wall synthesis, brain development and function, lipids recycling, and cell signaling. Recent structures of MFS lipid transporters revealed overlapping architectural features pointing towards a common mechanism. Here we used cysteine disulfide trapping, molecular dynamics simulations, mutagenesis analysis, and transport assays in vitro and in vivo, to investigate the mechanism of LtaA, a proton-dependent MFS lipid transporter essential for lipoteichoic acids synthesis in the pathogen Staphylococcus aureus. We reveal that LtaA displays asymmetric lateral openings with distinct functional relevance and that cycling through outward- and inward-facing conformations is essential for transport activity. We demonstrate that while the entire amphipathic central cavity of LtaA contributes to lipid binding, its hydrophilic pocket dictates substrate specificity. We propose that LtaA catalyzes lipid translocation by a ‘trap-and-flip’ mechanism that might be shared among MFS lipid transporters.
During infection the SARS-CoV-2 virus fuses its viral envelope with cellular membranes of its human host. Initial contact with the host cell and membrane fusion are both mediated by the viral spike (S) protein. Proteolytic cleavage of S at the S2′ site exposes its 40 amino acid long fusion peptide (FP). Binding of the FP to the host membrane anchors the S2 domain of S in both the viral and the host membrane. The reorganization of S2 then pulls the two membranes together. Here we use molecular dynamics (MD) simulations to study the two core functions of the SARS-CoV-2 FP: to attach quickly to cellular membranes and to form an anchor strong enough to withstand the mechanical force during membrane fusion. In eight 10 μs-long MD simulations of FP in proximity to endosomal and plasma membranes, we find that FP binds spontaneously to the membranes and that binding proceeds predominantly by insertion of two short amphipathic helices into the membrane interface. Connected via a flexible linker, the two helices can bind the membrane independently, yet binding of one promotes the binding of the other by tethering it close to the target membrane. By simulating mechanical pulling forces acting on the C-terminus of the FP we then show that the bound FP can bear forces up to 250 pN before detaching from the membrane. This detachment force is more than ten-fold higher than an estimate of the force required to pull host and viral membranes together for fusion. We identify a fully conserved disulfide bridge in the FP as a major factor for the high mechanical stability of the FP membrane anchor. We conclude, first, that the sequential binding of two short amphipathic helices allows the SARS-CoV-2 FP to insert quickly into the target membrane, before the virion is swept away after shedding the S1 domain connecting it to the host cell receptor. Second, we conclude that the double attachment and the conserved disulfide bridge establish the strong anchoring required for subsequent membrane fusion. Multiple distinct membrane-anchoring elements ensure high avidity and high mechanical strength of FP-membrane binding.
The rapid spread of the Coronavirus (COVID-19) confronts policy makers with the problem of measuring the effectiveness of containment strategies, balancing public health considerations with the economic costs of social distancing measures. We introduce a modified epidemic model that we name the controlled-SIR model, in which the disease reproduction rate evolves dynamically in response to political and societal reactions. An analytic solution is presented. The model reproduces official COVID-19 cases counts of a large number of regions and countries that surpassed the first peak of the outbreak. A single unbiased feedback parameter is extracted from field data and used to formulate an index that measures the efficiency of containment strategies (the CEI index). CEI values for a range of countries are given. For two variants of the controlled-SIR model, detailed estimates of the total medical and socio-economic costs are evaluated over the entire course of the epidemic. Costs comprise medical care cost, the economic cost of social distancing, as well as the economic value of lives saved. Under plausible parameters, strict measures fare better than a hands-off policy. Strategies based on current case numbers lead to substantially higher total costs than strategies based on the overall history of the epidemic.
Maximum likelihood estimates of diffusion coefficients from single-particle tracking experiments
(2021)
Single-molecule localization microscopy allows practitioners to locate and track labeled molecules in biological systems. When extracting diffusion coefficients from the resulting trajectories, it is common practice to perform a linear fit on mean-squared-displacement curves. However, this strategy is suboptimal and prone to errors. Recently, it was shown that the increments between the observed positions provide a good estimate for the diffusion coefficient, and their statistics are well-suited for likelihood-based analysis methods. Here, we revisit the problem of extracting diffusion coefficients from single-particle tracking experiments subject to static noise and dynamic motion blur using the principle of maximum likelihood. Taking advantage of an efficient real-space formulation, we extend the model to mixtures of subpopulations differing in their diffusion coefficients, which we estimate with the help of the expectation–maximization algorithm. This formulation naturally leads to a probabilistic assignment of trajectories to subpopulations. We employ the theory to analyze experimental tracking data that cannot be explained with a single diffusion coefficient. We test how well a dataset conforms to the assumptions of a diffusion model and determine the optimal number of subpopulations with the help of a quality factor of known analytical distribution. To facilitate use by practitioners, we provide a fast open-source implementation of the theory for the efficient analysis of multiple trajectories in arbitrary dimensions simultaneously.
We extend the standard solid-state quantum mechanical Hamiltonian containing only Coulomb interactions between the charged particles by inclusion of the (transverse) current-current diamagnetic interaction starting from the non-relativistic QED restricted to the states without photons and neglecting the retardation in the photon propagator. This derivation is supplemented with a derivation of an analogous result along the non-rigorous old classical Darwin-Landau-Lifshitz argumentation within the physical Coulomb gauge.
Abstract
The primary immunological target of COVID-19 vaccines is the SARS-CoV-2 spike (S) protein. S is exposed on the viral surface and mediates viral entry into the host cell. To identify possible antibody binding sites, we performed multi-microsecond molecular dynamics simulations of a 4.1 million atom system containing a patch of viral membrane with four full-length, fully glycosylated and palmitoylated S proteins. By mapping steric accessibility, structural rigidity, sequence conservation, and generic antibody binding signatures, we recover known epitopes on S and reveal promising epitope candidates for structure-based vaccine design. We find that the extensive and inherently flexible glycan coat shields a surface area larger than expected from static structures, highlighting the importance of structural dynamics. The protective glycan shield and the high flexibility of its hinges give the stalk overall low epitope scores. Our computational epitope-mapping procedure is general and should thus prove useful for other viral envelope proteins whose structures have been characterized.
Author summary
The SARS-CoV-2 virus has caused a global health crisis. The spike protein exposed at its surface is key for infection and the primary antibody target. However, spike is covered by highly mobile glycan molecules that could impair antibody binding. To identify accessible epitopes, we performed molecular dynamics simulations of an atomistic model of glycosylated spike embedded in a membrane. By combining extensive simulations with bioinformatics analyses, we recovered known antibody binding sites and identified several epitope candidates as targets for further vaccine development.
Understanding the physics of strongly correlated electronic systems has been a central issue in condensed matter physics for decades. In transition metal oxides, strong correlations characteristic of narrow d bands are at the origin of remarkable properties such as the opening of Mott gap, enhanced effective mass, and anomalous vibronic coupling, to mention a few. SrVO3 with V4+ in a 3d1 electronic configuration is the simplest example of a 3D correlated metallic electronic system. Here, the authors' focus on the observation of a (roughly) quadratic temperature dependence of the inverse electron mobility of this seemingly simple system, which is an intriguing property shared by other metallic oxides. The systematic analysis of electronic transport in SrVO3 thin films discloses the limitations of the simplest picture of e–e correlations in a Fermi liquid (FL); instead, it is shown show that the quasi-2D topology of the Fermi surface (FS) and a strong electron–phonon coupling, contributing to dress carriers with a phonon cloud, play a pivotal role on the reported electron spectroscopic, optical, thermodynamic, and transport data. The picture that emerges is not restricted to SrVO3 but can be shared with other 3d and 4d metallic oxides.
Using combined data from the Relativistic Heavy Ion and Large Hadron Colliders, we constrain the shear and bulk viscosities of quark-gluon plasma (QGP) at temperatures of ∼150–350 MeV. We use Bayesian inference to translate experimental and theoretical uncertainties into probabilistic constraints for the viscosities. With Bayesian model averaging we propagate an estimate of the model uncertainty generated by the transition from hydrodynamics to hadron transport in the plasma’s final evolution stage, providing the most reliable phenomenological constraints to date on the QGP viscosities.
As part of the research for this thesis, a momentum spectrometer was set up and initial measurements on accelerated ions were performed. For this purpose, the necessary hardware for the operation of the spectrometer and for high-precision measurements was were assembled. A control system for remote operation was developed and the spectrometer was installed at the used beamline.
There, measurements of low-energy ion beams in superposition with electrons confined in a Gabor lens can be carried out.
Investigations were made on both the Gabor lens-generated ions and the beam ions, leading to first results regarding the charge changes of beam ions during propagation through an electron atmosphere.
The deuteron coalescence parameter 𝐵2 in proton+proton and nucleus+nucleus collisions in the energy range of √s N N = 900–7000 GeV for proton + proton and √s N N = 2–2760 GeV for nucleus + nucleus collisions is analyzed with the Ultrarelativistic Quantum Molecular Dynamics (UrQMD) transport model, supplemented by an event-by-event phase space coalescence model for deuteron and anti-deuteron production. The results are compared to data by the E866, E877, PHENIX, STAR and ALICE experiments. The 𝐵2 values are calculated from the final spectra of protons and deuterons. At lower energies, √s N N ≤ 20 GeV, B2 drops drastically with increasing energy. The calculations confirm that this is due to the increasing freeze-out volume reflected in B2 ∼ 1/V . At higher energies, √s N N ≥ 20 GeV, B2 saturates at a constant level. This qualitative change and the vanishing of the volume suppression is shown to be due to the development of strong radial flow with increasing energy. The flow leads to strong space-momentum correlations which counteract the volume effect.
Binding of the spike protein of SARS-CoV-2 to the human angiotensin-converting enzyme 2 (ACE2) receptor triggers translocation of the virus into cells. Both the ACE2 receptor and the spike protein are heavily glycosylated, including at sites near their binding interface. We built fully glycosylated models of the ACE2 receptor bound to the receptor binding domain (RBD) of the SARS-CoV-2 spike protein. Using atomistic molecular dynamics (MD) simulations, we found that the glycosylation of the human ACE2 receptor contributes substantially to the binding of the virus. Interestingly, the glycans at two glycosylation sites, N90 and N322, have opposite effects on spike protein binding. The glycan at the N90 site partly covers the binding interface of the spike RBD. Therefore, this glycan can interfere with the binding of the spike protein and protect against docking of the virus to the cell. By contrast, the glycan at the N322 site interacts tightly with the RBD of the ACE2-bound spike protein and strengthens the complex. Remarkably, the N322 glycan binds to a conserved region of the spike protein identified previously as a cryptic epitope for a neutralizing antibody. By mapping the glycan binding sites, our MD simulations aid in the targeted development of neutralizing antibodies and SARS-CoV-2 fusion inhibitors.
Living cells constantly remodel the shape of their lipid membranes. In the endo-plasmic reticulum (ER), the reticulon homology domain (RHD) of the reticulophagy regulator 1 (RETR1/FAM134B) forms dense autophagic puncta that are associated with membrane removal by ER-phagy. In molecular dynamics (MD) simulations, we find that FAM134B-RHD spontaneously forms clusters, driven in part by curvature-mediated attraction. At a critical size, the FAM134B-RHD clusters induce the formation of membrane buds. The kinetics of budding depends sensitively on protein concentration and bilayer asymmetry. Our MD simulations shed light on the role of FAM134B-RHD in ER-phagy and show that membrane asymmetry can be used to modulate the kinetics barrier for membrane remodeling.