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The article presents the results of numerical and experimental investigations of guided wave propagation in aluminum plates with variable thickness. The shapes of plate surfaces have been specially designed and manufactured using a CNC milling machine. The shapes of the plates were defined by sinusoidal functions varying in phase shift, which forced the changes in thickness variability alongside the propagation path. The main aim of the study is to analyze the wave propagation characteristics caused by non-uniform thickness. In the first step, the influence of thickness variability on the time course of propagating waves has been analyzed theoretically. The study proves that the wave propagation signals can be determined based on knowledge about the statistical description of the specimen geometry. The histograms of thickness distribution together with the a priori knowledge of the dispersion curves were used to develop an iterative procedure assuming that the signal from the previous step becomes the excitation in the next step. Such an approach allowed for taking into account the complex geometry of the plate and rejecting the assumption about the constant average thickness alongside the propagation path. In consequence, it was possible to predict correctly the signal time course, as well as the time of flight and number of propagating wave modes in specimens with variable thickness. It is demonstrated that theoretical signals predicted in this way coincide well with numerical and experimental results. Moreover, the novel procedure allowed for the correct prediction of the occurrence of higher-order modes.
We present the first very long baseline interferometric (VLBI) observations of the blazar OJ 287 carried out jointly with the Global Millimeter VLBI Array (GMVA) and the phased Atacama Large Millimeter/submillimeter Array (ALMA) at 3.5 mm on 2017 April 2. The participation of phased ALMA has not only improved the GMVA north–south resolution by a factor of ∼3, but has also enabled fringe detections with signal-to-noise ratios up to 300 at baselines longer than 2 Gλ. The high sensitivity has motivated us to image the data with newly developed regularized maximum likelihood imaging methods, revealing the innermost jet structure with unprecedentedly high angular resolution. Our images reveal a compact and twisted jet extending along the northwest direction, with two bends within the inner 200 μas, resembling a precessing jet in projection. The component at the southeastern end shows a compact morphology and high brightness temperature, and is identified as the VLBI core. An extended jet feature that lies at ∼200 μas northwest of the core shows a conical shape, in both total and linearly polarized intensity, and a bimodal distribution of the linear polarization electric vector position angle. We discuss the nature of this feature by comparing our observations with models and simulations of oblique and recollimation shocks with various magnetic field configurations. Our high-fidelity images also enabled us to search for possible jet features from the secondary supermassive black hole (SMBH) and test the SMBH binary hypothesis proposed for this source.
This Ph. D. thesis with the title "Characterisation of laser-driven radiation beams: Gamma-ray dosimetry and Monte Carlo simulations of optimised target geometry for record-breaking efficiency of MeV gamma-sources" is dedicated to the study of the acceleration of electrons by intense sub-picosecond laser pulses propagating in a sub-millimeter plasma with near-critical electron density (NCD) and resulting generation of the gamma bremsstrahlung and positrons in the targets of different materials and thickness.
Laser-driven particle acceleration is an area of increasing scientific interest since the recent development of short pulse, high-intensity laser systems. The interaction of intense high-energy, short-pulse lasers with solid targets leads to the production of high-energy electrons in the relativistic laser intensity regime of more than 1018 W /cm2. These electrons play the leading role in the first stage of the interaction of laser with matter, which leads to the creation of laser sources of particles and radiation. Therefore, the optimisation of the electron beam parameters in the direction of increasing the effective temperature and beam charge, together with a slight divergence, plays a decisive role, especially for further detection and characterisation of laser-driven photon and positron beams.
In the context of this work, experiments were carried out at the PHELIX laser system (Petawatt High-Energy Laser for Heavy Ion eXperiments) at GSI Helmholtz Center for Heavy-Ion Research GmbH in Darmstadt, Germany. This thesis presents a thermoluminescence dosimetry (TLD) based method for the measurement of bremsstrahlung spectra in the energy range from 30 keV to 100 MeV. The results of the TLD measurements reinforced the observed tendency towards the strong increase of the mean electron energy and number of super-ponderomotive electrons. In the case of laser interaction with long-scale NCD-plasmas, the dose caused by the gamma-radiation measured in the direction of the laser pulse propagation showed a 1000-fold increase compared to the high contrast shots onto plane foils and doses measured perpendicular to the laser propagation direction for all used combinations of targets and laser parameters.
In this thesis I present novel characterisation method using a combination of TLD measurements and Monte Carlo FLUKA simulations applicable to laser-driven beams. The thermoluminescence detector-based spectrometry method for simultaneous detection of electrons and photons from relativistic laser-induced plasmas initially developed by Behrens et al. (Behrens et al., 2003) and further applied in experiments at PHELIX laser (Horst et al., 2015) delivered good spectral information from keV energies up to some MeV, but as it was presented in (Horst et al., 2015) this method was not really suitable to resolve the content of photon spectra above 10 MeV because of the dominant presence of electrons. Therefore, I created new evaluation method of the incident electron spectra from the readings of TLDs. For this purpose, by means of MatLab programming language an unfolding algorithm was written. It was based on a sequential enumeration of matching data series of the dose values measured by the dosimeters and calculated with of FLUKA-simulations. The significant advantage of this method is the ability to obtain the spectrum of incident electrons in the low energy range from 1 keV, which is very difficult to measure reliably using traditional electron spectrometers.
The results of the evaluation of the effective temperature of super-ponderomotive electrons retrieved from the measured TLD-doses by means of the Monte-Carlo simulations demonstrated, that application of low density polymer foam layers irradiated by the relativistic sub-ps laser pulse provided a strong increase of the electron effective temperature from 1.5 - 2 MeV in the case of the relativistic laser interaction with a metallic foil up to 13 MeV for the laser shots onto the pre-ionized foam and more than 10 times higher charge carried by relativistic electrons.
The progressive simulation method of whole electron spectra described with two -temperatures Maxwellian distribution function has been developed and the results of dose simulations were compared with the acquired experimental data. The advanced feature of this method, which distinguishes it from the results of the simulation of the photon spectrum using the interaction with the target of mono-energetic electron beams (Nilgün Demir, 2013; Nilgün Demir, 2019) or the initial electron spectrum expressed as a function of one electron temperature (Fiorini, 2012), is the ability to simulate the initial electron spectrum described by the Maxwellian distribution function with two temperatures.
The important objective of this thesis was dedicated to the study and characterisation of laser-driven photon beams. In addition to this, the positron beams were evaluated. The investigation of bremsstrahlung photons and positrons spectra from high Z targets by varying the target thickness from 10 µm to 4 mm in simulated models of the interactions of electron spectra with Maxwellian distribution functions allowed to define an optimal thickness when the fluences of photons and positrons are maximal. Furthermore based on the results of FLUKA simulations the gold material was found to be the most suitable for the future experiments as e − γ target because of its highest bremsstrahlung yield.
Additionally Monte Carlo simulations were performed applying the obtained electron beam parameters from the electron acceleration process in laser-plasma interactions simulated with particle-in-cell (PIC) code for two laser energies of 20 J and 200 J. The corresponding electron spectra were imported into a Monte Carlo code FLUKA to simulate the production process of bremsstrahlung photons and positrons in Au converter. FLUKA simulations showed the record conversion of efficiency in MeV gammas can reach 10%, which reinforces the generation of positrons. The obtained results demonstrate the advantages of long-scale plasmas of near critical density (NCD) to increase the parameters of MeV particles and photon beams generated in relativistic laser-plasma interaction. The efficiency of the laser-driven generation of MeV electrons and photons by application of low-density polymer foams is essentially enhanced.
Layered {\alpha}-RuCl3 is a promising material to potentially realize the long-sought Kitaev quantum spin liquid with fractionalized excitations. While evidence of this exotic state has been reported under a modest in-plane magnetic field, such behavior is largely inconsistent with theoretical expectations of Kitaev phases emerging only in out-of-plane fields. These predicted field-induced states have been mostly out of reach due to the strong easy-plane anisotropy of bulk crystals, however. We use a combination of tunneling spectroscopy, magnetotransport, electron diffraction, and ab initio calculations to study the layer-dependent magnons, anisotropy, structure, and exchange coupling in atomically thin samples. Due to structural distortions, the sign of the average off-diagonal exchange changes in monolayer {\alpha}-RuCl3, leading to a reversal of magnetic anisotropy to easy-axis. Our work provides a new avenue to tune the magnetic interactions in {\alpha}-RuCl3 and allows theoretically predicted quantum spin liquid phases for out-of-plane fields to be more experimentally accessible.
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.
In this work, inhomogeneous chiral phases are studied in a variety of Four-Fermion and Yukawa models in 2+1 dimensions at zero and non-zero temperature and chemical potentials. Employing the mean-field approximation, we do not find indications for an inhomogeneous phase in any of the studied models. We show that the homogeneous phases are stable against inhomogeneous perturbations. At zero temperature, full analytic results are presented.
To determine the neutron flux in activation experiments, a commonly used monitor is zirconium and in particular the stable isotopes 94,96Zr. 96Zr is very sensitive to epithermal neutrons. Despite its widespread application, most gamma intensities of the radioactive neutron capture product, 97Zr, yield large uncertainties. With the help of a new γ spectroscopy setup and GEANT simulations, we succeeded in determining a new set of γ-ray intensities with significantly reduced uncertainties.
The aim of this thesis is to provide a complete and consistent derivation of second-order dissipative relativistic spin hydrodynamics from quantum field theory. We will proceed in two main steps. The first one is the formulation of spin kinetic theory from quantum field theory using the Wigner-function formalism and performing an expansion in powers of the Planck constant. The essential ingredient here is the nonlocal collision term. We will find that the nonlocality of the collision term arises at first order in the Planck constant and is responsible for the spin alignment with vorticity, as it allows for conversion between spin and orbital angular momentum.
In the second step, this kinetic theory is used as the starting point to derive hydrodynamics including spin degrees of freedom. The so-called canonical form of the conserved currents follows from Noether’s theorem.
Applying an HW pseudo-gauge transformation, we obtain a spin tensor and energy-momentum tensor with obvious physical interpretation. Promoting all components of the HW tensors to be dynamical, we derive
second-order dissipative spin hydrodynamics. The additional equations of motion for the dissipative currents are obtained from kinetic theory generalizing the method of moments to include spin degrees of freedom.
In this proceeding, the deep Convolutional Neural Networks(CNNs) are deployed to recognize the order of QCD phase transition and predict the dynamical parameters in Langevin processes. To overcome the intrinsic randomness existed in a stochastic process, we treat the final spectra as image-type inputs which preserve sufficient spatiotemporal correlations. As a practical example, we demonstrate this paradigm for the scalar condensation in QCD matter near the critical point, in which the order parameter of chiral phase transition can be characterized in a 1+1-dimensional Langevin equation for σ field. The well-trained CNNs accurately classify the first-order phase transition and crossover from σ field configurations with fluctuations, in which the noise does not impair the performance of the recognition. In reconstructing the dynamics, we demonstrate it is robust to extract the damping coefficients η from the intricate field configurations.
This work is focused on the anomalous skin effect in copper and how it affects the efficiency of copper-cavities in the temperature range 40-50 K. The quality factor Q of three coaxial cavities was measured over the temperature range from 10 K to room temperature in the experiment. The three coaxial cavities have the same structure, but different lengths, which correspond to resonant frequencies: around 100 MHz, 220 MHz and 340 MHz. Furthermore, the effects of copper-plating and additional baking in the vacuum oven on the quality factor Q are studied in the experiment. The motivation is to check the feasibility of an efficient, pulsed, ion linac, operated at cryogenic temperatures.
We present first results of a recently started lattice QCD investigation of antiheavy-antiheavy-light-light tetraquark systems including scattering interpolating operators in correlation functions both at the source and at the sink. In particular, we discuss the importance of such scattering interpolating operators for a precise computation of the low-lying energy levels. We focus on the b¯b¯ud four-quark system with quantum numbers I(JP)=0(1+), which has a ground state below the lowest meson-meson threshold. We carry out a scattering analysis using Lüscher's method to extrapolate the binding energy of the corresponding QCD-stable tetraquark to infinite spatial volume. Our calculation uses clover u, d valence quarks and NRQCD b valence quarks on gauge-link ensembles with HISQ sea quarks that were generated by the MILC collaboration.
We develop a framework to relate proton number cumulants measured in heavy-ion collisions within a momentum space acceptance to the susceptibilities of baryon number, assuming that particles are emitted from a fireball with uniform distribution of temperature and baryochemical potential, superimposed on a hydrodynamic flow velocity profile. The rapidity acceptance dependence of proton cumulants measured by the HADES Collaboration in √sNN = 2.4 GeV Au-Au appears to be consistent with thermal emission of nucleons from a grand-canonical heat bath, with the extracted baryon number susceptibilities exhibiting an hierarchy χB 4 >> −χB 3 >> χB 2 >> χB 1 . Naively, this could indicate large nonGaussian fluctuations that might point to the presence of the QCD critical point close to the chemical freeze-out at T ∼ 70 MeV and μB ∼ 850 − 900 MeV. However, the description of the experimental data at large rapidity acceptances becomes challenging once the effect of exact baryon number conservation is incorporated, suggesting that more theoretical and experimental studies are needed to reach a firm conclusion.
The centrality dependence of the p/π ratio measured by the ALICE Collaboration in 5.02 TeV Pb-Pb collisions indicates a statistically significant suppression with the increase of the charged particle multiplicity once the centrality-correlated part of the systematic uncertainty is eliminated from the data. We argue that this behavior can be attributed to baryon annihilation in the hadronic phase. By implementing the BB¯↔5π reaction within a generalized partial chemical equilibrium framework, we estimate the annihilation freeze-out temperature at different centralities, which decreases with increasing charged particle multiplicity and yields Tann=132±5 MeV in 0-5% most central collisions. This value is considerably below the hadronization temperature of Thad∼160 MeV but above the thermal (kinetic) freeze-out temperature of Tkin∼100 MeV. Baryon annihilation reactions thus remain relevant in the initial stage of the hadronic phase but freeze out before (pseudo-)elastic hadronic scatterings. One experimentally testable consequence of this picture is a suppression of various light nuclei to proton ratios in central collisions of heavy ions.
Die Entstehung der Elemente im Universum wird auf eine Vielzahl von Prozessen zurückgeführt, die sowohl in Urknall - als auch in stellaren Szenarien angesiedelt werden. Die Kenntnis der dort ablaufenden Reaktionen und deren Raten ermöglicht es die zugrundeliegenden Modelle einzugrenzen und somit genauere Aussagen über die Plausibilität der Szenarien zu treffen. Ein Teil dieser Prozesse stützt sich auf Neutroneneinfänge an Atomkernen, wodurch die Massezahl des Ausgangskerns erhöht wird.
Die Aktivierungsmethode ermöglicht die Bestimmung der Wahrscheinlichkeit eines Neutroneneinfangs, sofern der Zielkern eine detektierbare Radioaktivität aufweist. Die experimentelle Untersuchung einer Reaktion mit einem kurzlebigen Produktkern ist eine besondere Herausforderung, da bei langen Aktivierungen zwar viele Einfänge stattfinden, die meisten Produktkerne jedoch schon während der Aktivierung zerfallen. Ein probates Mittel um genügend Zerfälle des Produktkerns beobachten zu können ist die zyklische Aktivierung, wobei die Probe in mehrfachen Wiederholungen kurz bestrahlt und ausgezählt wird.
Im Rahmen dieser Arbeit wurden zwei verschiedene Anwendungen der zyklischen Aktivierung behandelt.
Eine vom Paul Scherrer Institut Villigen bereitgestellte Probe von 10Be wurde am TRIGA Reaktor der Johannes Gutenberg - Universität Mainz mit Neutronen aktiviert. Über die Cadmiumdifferenzmethode konnte der thermische und der epithermische Anteil der Neutronen separiert werden und dadurch sowohl der thermische Wirkungsquerschnitt als auch das Resonanzintegral für die Reaktion 10Be(n,γ)11Be bestimmt werden.
Am Institut für Kernphysik der Goethe Universität Frankfurt wurde mit einem Van - de - Graaff - Beschleuniger über die 7Li(p,n)7Be Reaktion ein quasistellares Neutronenspektrum mit kBT ≈ 25 keV erzeugt. Für die zyklische Aktivierung von Proben wurde die Infrastruktur in Form einer automatisiert ablaufenden Vorrichtung zur Bestrahlung und Auszählung geplant und umgesetzt. In diesem Rahmen wurden die über das Spektrum gemittelten Neutroneneinfangsquerschnitte für verschiedene Reaktionen bestimmt. Für 19F(n,γ)20F konnte der Gesamteinfangsquerschnitt bestimmt werden. Für die Reaktion 45Sc(n,γ)46Sc wurde der partielle Wirkungsquerschnitt in den 142,5 keV Isomerzustand gemessen. Aus der 115In(n,γ)116In Reaktion konnten die partiellen Querschnitte in die Isomerzustände bei 289,7 keV, 127,3 keV sowie den Grundzustand bestimmt werden.
Außerdem wurde mit einer Hafniumprobe die partiellen Einfangsquerschnitte in den 1147,4 keV Isomerzustand von 178Hf und in den 375 keV Isomerzustand von 179Hf gemessen.
We suggest to explore an entirely new method to experimentally and theoretically study the phase diagram of strongly interacting matter based on the triple nuclear collisions (TNC).We simulated the TNC using the UrQMD 3.4 model at the beam center of- mass collision energies √SNN = 200 GeV and √SNN = 2.76 TeV. It is found that in the most central and simultaneous TNC the initial baryonic charge density is about 3 times higher than the one achieved in the usual binary nuclear collisions at the same energies. As a consequence, the production of protons and Λ-hyperons is increased by a factor of 2 and 1.5, respectively. Using the MIT Bag model equation we study the evolution of the central cell in TNC and demonstrate that for the top RHIC energy of collision the baryonic chemical potential is 2-2.5 times larger than the one achieved in the binary nuclear collision at the same time of reaction. Based on these estimates, we show that TNC offers an entirely new possibility to study the QCD phase diagram at very high baryonic charge densities.
Neural networks have been recently proposed as variational wave functions for quantum many-body systems [G. Carleo and M. Troyer, Science 355, 602 (2017)]. In this work, we focus on a specific architecture, known as Restricted Boltzmann Machine (RBM), and analyse its accuracy for the spin-1/2 J1−J2 antiferromagnetic Heisenberg model in one spatial dimension. The ground state of this model has a non-trivial sign structure, especially for J2/J1>0.5, forcing us to work with complex-valued RBMs. Two variational Ans\"atze are discussed: one defined through a fully complex RBM, and one in which two different real-valued networks are used to approximate modulus and phase of the wave function. In both cases, translational invariance is imposed by considering linear combinations of RBMs, giving access also to the lowest-energy excitations at fixed momentum k. We perform a systematic study on small clusters to evaluate the accuracy of these wave functions in comparison to exact results, providing evidence for the supremacy of the fully complex RBM. Our calculations show that this kind of Ans\"atze is very flexible and describes both gapless and gapped ground states, also capturing the incommensurate spin-spin correlations and low-energy spectrum for J2/J1>0.5. The RBM results are also compared to the ones obtained with Gutzwiller-projected fermionic states, often employed to describe quantum spin models [F. Ferrari, A. Parola, S. Sorella and F. Becca, Phys. Rev. B 97, 235103 (2018)]. Contrary to the latter class of variational states, the fully-connected structure of RBMs hampers the transferability of the wave function from small to large clusters, implying an increase of the computational cost with the system size.
Asymptotic giant branch (AGB) stars are thought to be among the most important sources of fluorine in our Galaxy. While observations and theory agree at close-to-solar metallicity, stellar models overestimate fluorine production in comparison to heavy elements at lower metallicities. We present predictions for 19F abundance for a set of AGB models with various masses and metallicities, in which magnetic buoyancy induces the formation of the 13C neutron source (the so-called 13C pocket). In our new models, fluorine is mostly created as a consequence of secondary 14N nucleosynthesis during convective thermal pulses, with a minor contribution from the 14N existing in the 13C pocket zone. As a result, AGB stellar models with magnetic-buoyancyinduced mixing show low 19F surface abundances which agree with fluorine spectroscopic observations at both low and near-solar metallicity.
In der vorliegenden Arbeit wurde die Ionisation von Atomen und Molekülen in starken Laserfeldern experimentell untersucht. Hierbei kam die COLTRIMS-Technik zur koinzidenten Messung der Impulse aller aus einem Ionisationsereignis stammender Ionen und Elektronen zum Einsatz. Unter Mitwirkung des Autors wurde ein COLTRIMS-Reaktionsmikroskop umgebaut und mit einem neuen Spektrometer sowie einer atomaren Wasserstoffquelle ausgestattet. Des Weiteren entstand ein interferometrischer Aufbau zur Erzeugung von Zwei-Farben-Feldern. Aus jedem der vorgestellten Experimente konnten Informationen über die elektronische Wellenfunktion an der Grenze zum klassisch verbotenen Bereich gewonnen werden. Dies geschah sowohl im Hinblick auf die Amplitude, als auch auf die Phase der Wellenfunktion. Mit dem Wasserstoffatom (Kapitel 9), dem Wasserstoffmolekül (Kapitel 10) und dem Argondimer (Kapitel 11) wurden drei Systeme unterschiedlicher Komplexität gewählt.
The 14N(n,p)14C reaction is of interest in neutron capture therapy, where nitrogen-related dose is the main component due to low-energy neutrons, and in astrophysics, where 14N acts as a neutron poison in the s-process. Several discrepancies remain between the existing data obtained in partial energy ranges: thermal energy, keV region and resonance region. Purpose: Measuring the 14N(n,p)14C cross section from thermal to the resonance region in a single measurement for the first time, including characterization of the first resonances, and providing calculations of Maxwellian averaged cross sections (MACS). Method: Time-of-flight technique. Experimental Area 2 (EAR-2) of the neutron time-of-flight (n_TOF) facility at CERN. 10B(n,α)7Li and 235U(n,f) reactions as references. Two detection systems running simultaneously, one on-beam and another off-beam. Description of the resonances with the R-matrix code sammy. Results: The cross section has been measured from sub-thermal energy to 800 keV resolving the two first resonances (at 492.7 and 644 keV). A thermal cross-section (1.809±0.045 b) lower than the two most recent measurements by slightly more than one standard deviation, but in line with the ENDF/B-VIII.0 and JEFF-3.3 evaluations has been obtained. A 1/v energy dependence of the cross section has been confirmed up to tens of keV neutron energy. The low energy tail of the first resonance at 492.7 keV is lower than suggested by evaluated values, while the overall resonance strength agrees with evaluations. Conclusions: Our measurement has allowed to determine the 14N(n,p) cross-section over a wide energy range for the first time. We have obtained cross-sections with high accuracy (2.5 %) from sub-thermal energy to 800 keV and used these data to calculate the MACS for kT = 5 to kT = 100 keV.
Using full 3+1 dimensional general-relativistic hydrodynamic simulations of equal- and unequal-mass neutron-star binaries with properties that are consistent with those inferred from the inspiral of GW170817, we perform a detailed study of the quark-formation processes that could take place after merger. We use three equations of state consistent with current pulsar observations derived from a novel finite-temperature framework based on V-QCD, a non-perturbative gauge/gravity model for Quantum Chromodynamics. In this way, we identify three different post-merger stages at which mixed baryonic and quark matter, as well as pure quark matter, are generated. A phase transition triggered collapse already ≲ 10 ms after the merger reveals that the softest version of our equations of state is actually inconsistent with the expected second-long post-merger lifetime of GW170817. Our results underline the impact that gravitational wave observations of binary neutron-star mergers can have in constraining the equation of state of nuclear matter, especially in its most extreme regimes.
Using full 3+1 dimensional general-relativistic hydrodynamic simulations of equal- and unequal-mass neutron-star binaries with properties that are consistent with those inferred from the inspiral of GW170817, we perform a detailed study of the quark-formation processes that could take place after merger. We use three equations of state consistent with current pulsar observations derived from a novel finite-temperature framework based on V-QCD, a non-perturbative gauge/gravity model for Quantum Chromodynamics. In this way, we identify three different post-merger stages at which mixed baryonic and quark matter, as well as pure quark matter, are generated. A phase transition triggered collapse already ≲10ms after the merger reveals that the softest version of our equations of state is actually inconsistent with the expected second-long post-merger lifetime of GW170817. Our results underline the impact that multi-messenger observations of binary neutron-star mergers can have in constraining the equation of state of nuclear matter, especially in its most extreme regimes.
Die vorliegende Arbeit befasst sich mit der Untersuchung der Transporteigenschaften inklusive Ladungsträgerdynamik von quasi-zweidimensionalen organischen Ladungstransfersalzen. Diese Materialien besitzen eine Schichtstruktur und weisen eine hohe Anisotropie der elektrischen Leitfähigkeit auf. Aufgrund der geringen Bandbreite und der niedrigen Ladungsträgerkonzentration gehören die Materialien zu den stark-korrelierten Elektronensystemen, wobei sich die elektronischen Eigenschaften leicht durch chemische Modifikationen oder äußere Parameter beeinflussen lassen. Die starken Korrelationen resultieren in Metall-Isolator-Übergängen, die sich beim Mott-isolierenden Zustand in einer homogenen Verteilung und beim ladungsgeordneten Zustand in einer periodischen Anordnung der lokalisierten Ladungsträger manifestieren.
Mithilfe der Fluktuationsspektroskopie, die sich mit der Analyse der zeitabhängigen Widerstandsfluktuationen befasst, konnten im Rahmen dieser Arbeit neue Erkenntnisse über die Ladungsträgerdynamik in den verschiedenen elektronischen Zuständen gewonnen werden. Die Metall-Isolator-Übergänge in den untersuchten Systemen, die auf den Molekülen BEDT-TTF (kurz: ET) bzw. BEDT-TSF (kurz: BETS) basieren, sind von der Stärke der strukturellen Dimerisierung abhängig und wurden durch die Kühlrate, eine Zugbelastung sowie durch die Ausnutzung des Feldeffekts beeinflusst.
In den Systemen κ-(BETS)₂Mn[N(CN)₂]₃, κ-(ET)₂Hg(SCN)₂Cl und κ-(ET)₂Cu[N(CN)₂]Br sind die Donormoleküle als Dimere angeordnet, sodass aufgrund der effektiv halben Bandfüllung bei genügender Korrelationsstärke häufig ein Mott-Übergang auftritt. In κ-(ET)₂Hg(SCN)₂Cl führt eine schwächere Dimerisierung jedoch zu einem Ladungsordnungsübergang, der mit elektronischer Ferroelektrizität einhergeht. Dabei wird die polare Ordnung durch eine Ladungsdisproportionierung innerhalb der Dimere verursacht. Die Widerstandsfluktuationen zeigen am ferroelektrischen Übergang einen starken Anstieg der spektralen Leistungsdichte, eine Abhängigkeit vom angelegten elektrischen Feld sowie Zeitabhängigkeiten, die auf räumliche Korrelationen der fluktuierenden Prozesse hindeuten. Diese Eigenschaften wurden ebenfalls für das System κ-(BETS)₂Mn[N(CN)₂]₃ beobachtet. Hierbei wurden mithilfe der dielektrischen Spektroskopie ebenfalls Hinweise auf Ferroelektrizität gefunden, während durch die Analyse der stromabhängigen Widerstandsfluktuationen die Größe der polaren Regionen abgeschätzt werden konnte. Das System κ-(ET)₂Cu[N(CN)₂]Br, das in einer Feldeffekttransistor-Struktur vorliegt, erlaubt neben der Untersuchung des Bandbreiten-getriebenen Mott-Übergangs durch die Zugbelastung eines Substrats auch die Beeinflussung der elektronischen Eigenschaften durch die Änderung der Bandfüllung mittels elektrostatischer Dotierung. Hierbei wurden starke Abhängigkeiten des Widerstands von der Gatespannung beobachtet und Ähnlichkeiten der Ladungsträgerdynamik zu herkömmlichen Volumenproben gefunden.
Bei den Systemen θ-(ET)₂MM'(SCN)₄ mit MM'=CsCo, RbZn, TlZn tritt ein Ladungsordnungsübergang auf, der eine starke Abhängigkeit von der Kühlrate zeigt. Durch schnelles Abkühlen lässt sich der Phasenübergang erster Ordnung kinetisch vermeiden, wodurch ein Ladungsglaszustand realisiert wird. Dieser metastabile Zustand zeigt neuartige physikalische Eigenschaften mit Ähnlichkeiten zu herkömmlichen Gläsern und wurde als Folge der geometrischen Frustration der Ladung auf einem Dreiecksgitter diskutiert. Im Rahmen dieser Arbeit konnte die Ladungsträgerdynamik in den verschiedenen Ladungszuständen von unterschiedlich frustrierten Systemen verglichen werden. Zur Realisierung sehr schneller Abkühlraten wurde dafür eine Heizpulsmethode verwendet und weiterentwickelt. Der Ladungsglaszustand zeigte dabei für verschiedene Systeme ein deutlich niedrigeres Rauschniveau als der ladungsgeordnete Zustand. In Kombination mit Messungen der thermischen Ausdehnung und kühlratenabhängiger Transportmessungen wurde in den Systemen mit der stärksten Frustration die Existenz eines strukturellen Glasübergangs nachgewiesen, der von einer starken Verlangsamung der Ladungsträgerdynamik begleitet wird. Diese Erkenntnisse werfen ein neues Licht auf die bisherige rein elektronische Interpretation des Ladungsglaszustands und heben den Einfluss der strukturellen Freiheitsgrade hervor.
The pion-to-proton ratio is identified as a potential signal for a non-equilibrium first-order chiral phase transition in heavy-ion collisions, as the pion multiplicity is directly related to entropy production. To showcase this effect, a non-equilibrium Bjorken expansion starting from realistic initial conditions along a Taub adiabat is used to simulate the entropy production. Different dynamical criteria to determine the final entropy-per-baryon number are investigated and matched to a hadron resonance gas model along the chemical freeze out curve to obtain the final pion and proton numbers. We detect a strong enhancement of their multiplicity ratio at the energies where the system experiences a strong phase transition as compared to a smooth crossover which shows almost no enhancement.
Simulations of conformational changes and enzyme-substrate interactions in protein drug targets
(2022)
Finding new drugs is a difficult, time-consuming, and costly challenge, with only a small success rate along the drug discovery pipeline of far less than 10%. The high failure rate of drug discovery projects motivates the integration of computational tools throughout the whole drug discovery pipeline, from target identification to clinical trials. Target identification is the first step in the process. A biological target, e.g., a protein that plays a role in disease, is identified and its molecular mechanism in the disease is studied. Further, a potential binding site on the target, where therapeutic molecules can bind and modulate the target’s activity, needs to be characterized. Computational tools can contribute to improving the initial molecular target elucidation and assessment.
In this thesis, I use computational, physics-based approaches to characterize binding sites of drug targets and to decipher enzyme-substrate interactions, which play a role in disease mechanisms. Molecular dynamics (MD) simulations were applied to study the dynamics of molecules in solution at high temporal and spatial resolution. The method generates time-resolved trajectories of the particles in a system of interest by integrating Newton’s equations of motion numerically, starting from a set of coordinates and velocities. In MD simulations, all atoms of a chosen system, including solvent, are represented explicitly. Atomistic simulations are especially well-suited to study detailed interactions that depend on intermolecular interactions, such as hydration effects, hydrogen bonding, hydrophobic interactions, or subtle chemical differences. System properties are inferred from the trajectories, provided that the force fields, describing the interactions between the particles in the system, have a high accuracy. The bonded and non-bonded interactions are parametrized on experimental and quantum chemical data. The purpose of MD simulations can be to gain insight into the behavior of complex biological systems at molecular level, which often cannot be observed in experiments at the same resolution. With recent advances in computer hardware and simulation software, molecular systems of increasing size and simulation length can be investigated.
In the first part of the thesis, I investigated the conformational ensemble of various protein drug targets. Proteins are dynamic biomacromolecules that can have diverse and nearly isoenergetic conformational states. Ligand binding can shift the equilibrium of this conformational ensemble and can uncover binding sites, called cryptic sites. Cryptic sites only emerge upon small molecule binding and are often flat and featureless, and thus not easily recognized in crystal structures without bound ligands. If new binding sites including cryptic sites are detected, they can potentially be exploited for binding to ligands and enable a druggable target. Druggability is the ability of a protein to bind small, drug-like molecules, which is the basis for rational drug design. In this thesis, I used state-of-the-art physics-based, computational approaches to investigate the conformational ensembles of binding sites. In all studied systems, it is known from experiment that a specific group of ligands can induce conformational changes. The aim is to sample the conformational space made accessible upon ligand binding, yet without using the specific ligand structures or details about their interactions. We are interested in sampling the
pocket conformational states and identifying the respective pocket opening mechanism. For some cases, I additionally assessed whether the observed flexibility is a feature of the protein family, or specific to the protein under consideration.
The first studied system is factor VIIa (FVIIa). FVIIa is an essential part of the coagulation cascade and hence a potential drug target for thrombotic diseases. In addition, I investigated various other trypsin-like serine proteases from the same protein family. The binding pocket of trypsin-like serine proteases is called S1 pocket. An X-ray crystal structure solved by our collaborators reveals that a b-sheet structure in the S1 pocket is distorted by a bound ligand. I resolved the conformational change with MD simulations, starting from the unbound protein structure solvated in water and ions. I observed multiple spontaneous transition events. In 7 out of 22 simulations with the b-sheet as starting structure, the S1 pocket eventually rearranged into a distorted loop structure. These transitions occurred spontaneously and were mediated by water molecules probing the backbone hydrogen bonds. The conformational change studied here controls the onset of substrate binding and catalysis. Furthermore, I used metadynamics simulation, an enhanced-sampling method, to estimate the free energy barrier of this conformational change..
In March 2019 the HADES experiment recorded 14 billion Ag+Ag collisions at √SNN = 2.55 GeV as a part of the FAIR phase-0 physics program. With the capabilities to measure and analyze particles forming the bulk matter, namely pions, protons and light nuclei, as well as rare probes like dilepton decays of vectormesons and strange hadrons, the HADES experiment allows to study the properties of matter at high densities in great detail. In this contribution a special focus is put on the reconstruction of weakly decaying strange hadrons.
In this thesis, the emission of protons as well as the production of Λ hyperons, Κ0S mesons and 3ΛH hypernuclei are analyzed multi-differentially as a function of transverse momentum, rapidity and centrality. Therefore, the 3.03 billion 30 % most central Ag(1.58A GeV)+Ag events recorded by HADES are used. Furthermore, the lifetimes of Λ hyperons, Κ0S mesons and 3ΛH hypernuclei are measured. The obtained 3ΛH lifetime of (253 ± 24 ± 42) ps is compatible with the lifetime of free Λ hyperons, as predicted by theoretic calculations due to its low binding energy. Finally, also the double strange Ξ– hyperons are reconstructed. Unfortunately, the fully optimized signals lie below the confidence threshold of 5σ, which is why both an production rate and an upper production limit are estimated using averaged acceptance and efficiency corrections. Never before, 3ΛH or Ξ– were successfully reconstructed and analyzed in heavy-ion collisions at such low energies. The obtained results are compared to previous measurements and put in context with world data form different energies and collision systems.
Under temperature or pressure tuning, tetragonal EuPd2Si2 is known to undergo a valence transition from nearly divalent to nearly trivalent Eu accompanied by a volume reduction. Albeit intensive work, its origin is not yet completely understood. Here, we investigate the mechanism of the valence transition under volume compression by density functional theory calculations (DFT). Our analysis suggests that the transition is a consequence of an enhanced c−f hybridization between localized Eu 4f states and itinerant conduction states (Eu 5d, Pd 4d, and Si 3p) where the interplay of the electronic bandwidth, crystal field environment, Coulomb repulsion, Hund's coupling and spin-orbit coupling plays a crucial role for the transition to happen. The change in the electronic structure is intimately related to the volume reduction where Eu-Pd(Si) bond lengths shorten. In a next step we compare our DFT results to surface-sensitive photoemission data in which the mixed-valent properties of EuPd2Si2 are reflected in a simultaneous observation of divalent and trivalent signals from the Eu 4f shell.
In-medium effects in strangeness production in heavy-ion collisions at (sub-) threshold energies
(2022)
We study the in-medium effects in strangeness production in heavyion collisions at (sub-)threshold energies based on the microscopic Parton-Hadron-String Dynamics (PHSD) transport approach. The in-medium modifications of the antikaon properties are described via the self-consistent coupledchannel unitarized scheme based on a SU(3) chiral Lagrangian while the inmedium modification of kaons are accounted via the kaon-nuclear potential, which is assumed to be proportional to the local baryon density. We find that the modifications of (anti)kaon properties in nuclear matter are necessary to explain the experimental data in heavy-ion collisions.
This thesis has two main parts.
The first part is based on our publication [1], where we use perturbation theory to calculate decay rates of magnons in the Kitaev-Heisenberg-Γ (KHΓ) model. This model describes the magnetic properties of the material α-RuCl 3 , which is a candidate for a Kitaev spin liquid. Our motivation is to validate a previous calculation from Ref. [2]. In this thesis, we map out the classical phase diagram of the KHΓ model. We use the Holstein-Primakoff
transformation and the 1/S expansion to describe the low temperature dynamics of the Kitaev-Heisenberg-Γ model in the experimentally relevant zigzag phase by spin waves. By parametrizing the spin waves in terms of hermitian fields, we find a special parameter region within the KHΓ model where the analytical expressions simplify. This enables us to construct the Bogoliubov transformation analytically. For a representative point in the special parameter region, we use these results to numerically calculate the magnon damping, which is to leading order caused by the decay of single magnons into two. We also calculate the dynamical structure factor of the magnons.
The second part of this thesis is based on our publication [3], where we use the functional renormalization group to analyze a discontinuous quantum phase transition towards a non-Fermi liquid phase in the Sachdev-Ye-Kitaev (SYK) model. In this thesis, we perform a disorder average over the random interactions in the SYK model. We argue that in the thermodynamic limit, the average renormalization group (RG) flow of the SYK model is identical to the RG flow of an effective disorder averaged model. Using the functional RG, we find a fixed point describing the discontinuous phase transition to the non-Fermi liquid phase at zero temperature. Surprisingly, we find a finite anomalous dimension of the fermions, which indicates critical fluctuations and is unusual for a discontinuous transition. We also determine the RG flow at zero temperature, and relate it to the phase diagram known from the literature.
TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes
(2022)
Lipid membranes are integral building blocks of living cells and perform a multitude of biological functions. Currently, molecular simulations of cellular-scale membrane remodeling processes at atomic resolution are extremely difficult, due to their size, complexity, and the large times-scales on which these processes occur. Instead, elastic membrane models are used to simulate membrane shapes and transitions between them and to infer their properties and functions. Unfortunately, an efficiently parallelized open-source simulation code to do so has been lacking. Here, we present TriMem, a parallel hybrid Monte Carlo simulation engine for triangulated lipid membranes. The kernels are efficiently coded in C++ and wrapped with Python for ease-of-use. The parallel implementation of the energy and gradient calculations and of Monte Carlo flip moves of edges in the triangulated membrane enable us to simulate large and highly curved membrane structures. For validation, we reproduce phase diagrams of vesicles with varying surface-to-volume ratios and area difference. We also compute the density of states to verify correct Boltzmann sampling. The software can be used to tackle a range of large-scale membrane remodeling processes as a step toward cell-scale simulations. Additionally, extensive documentation make the software accessible to the broad biophysics and computational cell biology communities.
Bottomonium states are key probes for experimental studies of the quark-gluon plasma (QGP) created in high-energy nuclear collisions. Theoretical models of bottomonium productions in high-energy nuclear collisions rely on the in-medium interactions between the bottom and antibottom quarks, which can be characterized by real (VR(T, r)) and imaginary (VI(T, r)) potentials, as functions of temperature and spatial separation. Recently, the masses and thermal widths of up to 3S and 2P bottomonium states in QGP were calculated using lattice quantum chromodynamics (LQCD). Starting from these LQCD results and through a novel application of deep neural network (DNN), here, we obtain model-independent results for VR(T, r) and VI(T, r). The temperature dependence of VR(T, r) was found to be very mild between T ≈ 0 − 330 MeV. Meanwhile, VI(T, r) shows rapid increase with T and r, which is much larger than the perturbation theory based expectations.
We study the decays of the JPC=1−+ hybrid nonet using a Lagrangian invariant under the flavor symmetry, parity reversal, and charge conjugation. We use the available experimental data, the lattice predictions, and the flavor constraints to evaluate the coupling strengths of the π1(1600) to various two-body mesonic states. Using these coupling constants, we estimate the partial widths of the two-body decays of the hybrid pion, kaon and the isoscalars. We find that the hybrid kaon can be nearly as broad as the π1(1600). Quite remarkably, we find also that the light isoscalar must be significantly narrow while the width of the heavy isoscalar can be matched to the recently observed η1(1855).
Gasdermin-D (GSDMD) is the ultimate effector of pyroptosis, a form of programmed cell death associated with pathogen invasion and inflammation. After proteolytic cleavage by caspases activated by the inflammasome, the GSDMD N-terminal domain (GSDMDNT) assembles on the inner leaflet of the plasma membrane and induces the formation of large membrane pores. We use atomistic molecular dynamics simulations to study GSDMDNT monomers, oligomers, and rings in an asymmetric plasma membrane mimetic. We identify distinct interaction motifs of GSDMDNT with phosphatidylinositol-4,5-bisphosphate (PI(4,5)P2) and phosphatidylserine (PS) head-groups and describe differential lipid binding between the pore and prepore conformations. Oligomers are stabilized by shared lipid binding sites between neighboring monomers acting akin to double-sided tape. We show that already small GSDMDNT oligomers form stable, water-filled and ion-conducting membrane pores bounded by curled beta-sheets. In large-scale simulations, we resolve the process of pore formation by lipid detachment from GSDMDNT arcs and lipid efflux from partial rings. We find that that high-order GSDMDNT oligomers can crack under the line tension of 86 pN created by an open membrane edge to form the slit pores or closed GSDMDNT rings seen in experiment. Our simulations provide a detailed view of key steps in GSDMDNT-induced plasma membrane pore formation, including sublytic pores that explain nonselective ion flux during early pyroptosis.
Gasdermin-D (GSDMD) is the ultimate effector of pyroptosis, a form of programmed cell death associated with pathogen invasion and inflammation. After proteolytic cleavage by caspases, the GSDMD N-terminal domain (GSDMDNT) assembles on the inner leaflet of the plasma membrane and induces the formation of membrane pores. We use atomistic molecular dynamics simulations to study GSDMDNT monomers, oligomers, and rings in an asymmetric plasma membrane mimetic. We identify distinct interaction motifs of GSDMDNT with phosphatidylinositol-4,5-bisphosphate (PI(4,5)P2) and phosphatidylserine (PS) headgroups and describe their conformational dependence. Oligomers are stabilized by shared lipid binding sites between neighboring monomers acting akin to double-sided tape. We show that already small GSDMDNT oligomers support stable, water-filled, and ion-conducting membrane pores bounded by curled beta-sheets. In large-scale simulations, we resolve the process of pore formation from GSDMDNT arcs and lipid efflux from partial rings. We find that high-order GSDMDNT oligomers can crack under the line tension of 86 pN created by an open membrane edge to form the slit pores or closed GSDMDNT rings seen in atomic force microscopy experiments. Our simulations provide a detailed view of key steps in GSDMDNT-induced plasma membrane pore formation, including sublytic pores that explain nonselective ion flux during early pyroptosis.
Die vorgelegte Dissertation behandelt den Einfluss homöostatischer Adaption auf die Informationsverarbeitung und Lenrprozesse in neuronalen Systemen. Der Begriff Homöostase bezeichnet die Fähigkeit eines dynamischen Systems, bestimmte interne Variablen durch Regelmechanismen in einem dynamischen Gleichgewicht zu halten. Ein klassisches Beispiel neuronaler Homöostase ist die dynamische Skalierung synaptischer Gewichte, wodurch die Aktivität bzw. Feuerrate einzelner Neuronen im zeitlichen Mittel konstant bleibt. Bei den von uns betrachteten Modellen handelt es sich um eine duale Form der neuronalen Homöostase. Das bedeutet, dass für jedes Neuron zwei interne Parameter an eine intrinsische Variable wie die bereits erwähnte mittlere Aktivität oder das Membranpotential gekoppelt werden. Eine Besonderheit dieser dualen Adaption ist die Tatsache, dass dadurch nicht nur das zeitliche Mittel einer dynamischen Variable, sondern auch die zeitliche Varianz, also die stärke der Fluktuation um den Mittelwert, kontrolliert werden kann. In dieser Arbeit werden zwei neuronale Systeme betrachtet, in der dieser Aspekt zum Tragen kommt.
Das erste behandelte System ist ein sogennantes Echo State Netzwerk, welches unter die Kategorie der rekurrenten Netzwerke fällt. Rekurrente neuronale Netzwerke haben im Allgemeinen die Eigenschaft, dass eine Population von Neuronen synaptische Verbindungen besitzt, die auf die Population selbst projizieren, also rückkoppeln. Rekurrente Netzwerke können somit als autonome (falls keinerlei zusätzliche externe synaptische Verbindungen existieren) oder nicht-autonome dynamische Systeme betrachtet werden, die durch die genannte Rückkopplung komplexe dynamische Eigenschaften besitzen. Abhängig von der Struktur der rekurrenten synaptischen Verbindungen kann beispielsweise Information aus externem Input über einen längeren Zeitraum gespeichert werden. Ebenso können dynamische Fixpunkte oder auch periodische bzw. chaotische Aktivitätsmuster entstehen. Diese dynamische Vielseitigkeit findet sich auch in den im Gehirn omnipräsenten rekurrenten Netzwerken und dient hier z.B. der Verarbeitung sensorischer Information oder der Ausführung von motorischen Bewegungsmustern. Das von uns betrachtete Echo State Netzwerk zeichnet sich dadurch aus, dass rekurrente synaptische Verbindungen zufällig generiert werden und keiner synaptischen Plastizität unterliegen. Verändert werden im Zuge eines Lernprozesses nur Verbindungen, die von diesem sogenannten dynamischen Reservoir auf Output-Neuronen projizieren. Trotz der Tatsache, dass dies den Lernvorgang stark vereinfacht, ist die Fähigkeit des Reservoirs zur Verarbeitung zeitabhängiger Inputs stark von der statistischen Verteilung abhängig, die für die Generierung der rekurrenten Verbindungen verwendet wird. Insbesondere die Varianz bzw. die Skalierung der Gewichte ist hierbei von großer Bedeutung. Ein Maß für diese Skalierung ist der Spektralradius der rekurrenten Gewichtsmatrix.
In vorangegangenen theoretischen Arbeiten wurde gezeigt, dass für das betrachtete System ein Spektralradius nahe unterhalb des kritischen Wertes von 1 zu einer guten Performance führt. Oberhalb dieses Wertes kommt es im autonomen Fall zu chaotischem dynamischen Verhalten, welches sich negativ auf die Informationsverarbeitung auswirkt. Der von uns eingeführte und als Flow Control bezeichnete duale Adaptionsmechanismus zielt nun darauf ab, über eine Skalierung der synaptischen Gewichte den Spektralradius auf den gewünschten Zielwert zu regulieren. Essentiell ist hierbei, dass die verwendete Adaptionsdynamik im Sinne der biologischen Plausibilität nur auf lokale Größen zurückgreift. Dies geschieht im Falle von Flow Control über eine Regulation der im Membranpotential der Zelle auftretenden Fluktuationen. Bei der Evaluierung der Effektivität von Flow Control zeigte sich, dass der Spektralradius sehr präzise kontrolliert werden kann, falls die Aktivitäten der Neuronen in der rekurrenten Population nur schwach korreliert sind. Korrelationen können beispielsweise durch einen zwischen den Neuronen stark synchronisierten externen Input induziert werden, der sich dementsprechend negativ auf die Präzision des Adaptionsmechanismus auswirkt.
Beim Testen des Netzwerks in einem Lernszenario wirkte sich dieser Effekt aber nicht negativ auf die Performance aus: Die optimale Performance wurde unabhängig von der stärke des korrelierten Inputs für einen Spektralradius erreicht, der leicht unter dem kritischen Wert von 1 lag. Dies führt uns zu der Schlussfolgerung, dass Flow Control unabhängig von der Stärke der externen Stimulation in der Lage ist, rekurrente Netze in einen für die Informationsverarbeitung optimalen Arbeitsbereich einzuregeln.
Bei dem zweiten betrachteten Modell handelt es sich um ein Neuronenmodell mit zwei Kompartimenten, welche der spezifischen Anatomie von Pyramidenneuronen im Kortex nachempfunden ist. Während ein basales Kompartiment synaptischen Input zusammenfasst, der in Dendriten nahe des Zellkerns auftritt, repräsentiert das zweite apikale Kompartiment die im Kortex anzutreffende komplexe dendritische Baumstruktur. In früheren Experimenten konnte gezeigt werden, dass eine zeitlich korrelierte Stimulation sowohl im basalen als auch apikalen Kompartiment eine deutlich höhere neuronale Aktivität hervorrufen kann als durch Stimulation nur einer der beiden Kompartimente möglich ist. In unserem Modell können wir zeigen, dass dieser Effekt der Koinzidenz-Detektion es erlaubt, den Input im apikalen Kompartiment als Lernsignal für synaptische Plastizität im basalen Kompartiment zu nutzen. Duale Homöostase kommt auch hier zum Tragen, da diese in beiden Kompartimenten sicherstellt, dass sich der synaptische Input hinsichtlich des zeitlichen Mittels und der Varianz in einem für den Lernprozess benötigten Bereich befindet. Anhand eines Lernszenarios, das aus einer linearen binären Klassifikation besteht, können wir zeigen, dass sich das beschriebene Framework für biologisch plausibles überwachtes Lernen eignet.
Die beiden betrachteten Modelle zeigen beispielhaft die Relevanz dualer Homöostase im Hinblick auf zwei Aspekte. Das ist zum einen die Regulation rekurrenter neuronaler Netze in einen dynamischen Zustand, der für Informationsverarbeitung optimal ist. Der Effekt der Adaption zeigt sich hier also im Verhalten des Netzwerks als Ganzes. Zum anderen kann duale Homöostase, wie im zweiten Modell gezeigt, auch für Plastizitäts- und Lernprozesse auf der Ebene einzelner Neuronen von Bedeutung sein. Während neuronale Homöostase im klassischen Sinn darauf beschränkt ist, Teile des Systems möglichst präzise auf einen gewünschten Mittelwert zu regulieren, konnten wir Anhand der diskutierten Modelle also darlegen, dass eine Kontrolle des Ausmaßes von Fluktuationen ebenfalls Einfluss auf die Funktionalität neuronaler Systeme haben kann.
The electrical and computational properties of neurons in our brains are determined by a rich repertoire of membrane-spanning ion channels and elaborate dendritic trees. However, the precise reason for this inherent complexity remains unknown. Here, we generated large stochastic populations of biophysically realistic hippocampal granule cell models comparing those with all 15 ion channels to their reduced but functional counterparts containing only 5 ion channels. Strikingly, valid parameter combinations in the full models were more frequent and more stable in the face of perturbations to channel expression levels. Scaling up the numbers of ion channels artificially in the reduced models recovered these advantages confirming the key contribution of the actual number of ion channel types. We conclude that the diversity of ion channels gives a neuron greater flexibility and robustness to achieve target excitability.
We present SU(3) lattice Yang-Mills data for hybrid static potentials from five ensembles with different small lattice spacings and the corresponding parametrizations for quark-antiquark separations 0.08fm≤r≤1.12fm. We remove lattice discretization errors at tree level of perturbation theory and partly at order a2 as well as the a-dependent self energy. In particular the tree-level improvement of static potentials is discussed in detail and two methods are compared. The resulting parametrizations are expected to represent continuum limit results for hybrid static potentials within statistical errors.
We point out that the variance of net-baryon distribution normalized by the Skellam distribution baseline, κ2[B−B¯]/〈B+B¯〉, is sensitive to the possible modification of (anti)baryon yields due to BB¯ annihilation in the hadronic phase. The corresponding measurements can thus place stringent limits on the magnitude of the BB¯ annihilation and its inverse reaction. We perform Monte Carlo simulations of the hadronic phase in Pb-Pb collisions at the LHC via the recently developed subensemble sampler + UrQMD afterburner and show that the effect survives in net-proton fluctuations, which are directly accessible experimentally. The available experimental data of the ALICE Collaboration on net-proton fluctuations disfavors a notable suppression of (anti)baryon yields in BB¯ annihilations predicted by the present version of UrQMD if only global baryon conservation is incorporated. On the other hand, the annihilations improve the data description when local baryon conservation is imposed. The two effects can be disentangled by measuring κ2[B+B¯]/〈B+B¯〉, which at the LHC is notably suppressed by annihilations but virtually unaffected by baryon number conservation.
Recent data of the HADES Collaboration in Au+Au central collisions at sNN=2.4 GeV indicate large proton number fluctuations inside one unit of rapidity around midrapidity. This can be a signature of critical phenomena due to the strong attractive interactions between baryons. We study an alternative hypothesis that these large fluctuations are caused by the event-by-event fluctuations of the number of bare protons, and no interactions between these protons are assumed. The proton number fluctuations in five symmetric rapidity intervals Δy inside the region ΔY=1 are calculated using the binomial acceptance procedure. This procedure assumes the independent (uncorrelated) emission of protons, and it appears to be in agreement with the HADES data. To check this simple picture we suggest to calculate the correlation between proton multiplicities in non-overlapping rapidity intervals Δy1 and Δy2 placed inside ΔY=1.
Recent lattice QCD results, comparing to a hadron resonance gas model, have shown the need for hundreds of particles in hadronic models. These extra particles influence both the equation of state and hadronic interactions within hadron transport models. Here, we introduce the PDG21+ particle list, which contains the most up-to-date database of particles and their properties. We then convert all particles decays into 2 body decays so that they are compatible with SMASH in order to produce a more consistent description of a heavy-ion collision.
The discovery of superconductivity in layered vanadium-based kagome metals AV3Sb5 (A: K, Rb, Cs) has added a new family of materials to the growing class of possible unconventional superconductors. However, the nature of the superconducting pairing in these materials remains elusive. We present a microscopic theoretical study of the leading superconducting instabilities on the kagome lattice based on spin- and charge-fluctuation mediated Cooper pairing. The applied methodology includes effects of both on-site and nearest-neighbor repulsive Coulomb interactions. Near the upper van Hove filling -- relevant for the AV3Sb5 materials -- we find a rich phase diagram with several pairing symmetries being nearly degenerate. In particular, while a substantial fraction of the phase diagram is occupied by a spin-singlet order parameter transforming as a two-dimensional irreducible representation of the point group, several nodal spin-triplet pairing states remain competitive. We compute the band and interaction parameter-dependence of the hierarchy of the leading superconducting instabilities, and determine the detailed momentum dependence of the resulting preferred gap structures. Crucially, for moderate values of the interaction parameters, the individual pairing states depend strongly on momentum and exhibit multiple nodes on the Fermi surface. We discuss the properties of these superconducting gap structures in light of recent experimental developments of the AV3Sb5 materials.
The families of organic charge-transfer salts 𝜅-(BEDT-TTF)2𝑋 and 𝜅-(BETS)2𝑋, where BEDT-TTF and BETS stand for the organic donor molecules C10H8S8 and C10H8S4Se4, respectively, and X for an inorganic electron acceptor, have been proven to serve as a powerful playground for the investigation of the physics of frustrated Mott insulators. These materials have been ascribed a model character, since the dimerization of the organic molecules allows to map these materials onto a single band Hubbard model, in which the dimers reside on an anisotropic triangular lattice. By changing the inorganic unit X or applying physical pressure, the correlation strength and anisotropy of the triangular lattice can be varied. This has led to the discovery of a variety of exotic phenomena, including quantum-spin liquid states, a plethora of long-range magnetic orders in proximity to a Mott metal-insulator transition, and unconventional superconductivity. While many of these phenomena can be described within this effective one-band Hubbard model on a triangular lattice, it has become evident in recent years that this simplified description is insufficient to capture all observed magnetic and electronic properties. The ingredients for generalized models that are relevant include, but are not limited to, spin-orbit coupling, intra-dimer charge and spin degrees of freedom, electron-lattice coupling, as well as disorder effects. Here, we review selected theoretical and experimental discoveries that clearly demonstrate the relevance thereof. At the same time, we outline that these aspects are not only relevant to this class of organic charge-transfer salts, but are also receiving increasing attention in other classes of inorganic strongly correlated electron systems. This reinforces the model character that the 𝜅-phase organic charge-transfer salts have for understanding and discovering novel phenomena in strongly correlated electron systems from a theoretical and experimental point of view.
Correlations between the harmonic flow coefficients v1, v2, v3 and v4 of nucleons in semi-peripheral Au+Au collisions at a beam energy of 1.23 AGeV are investigated within the hadronic transport approach ultra-relativistic quantum molecular dynamics (UrQMD). In contrast to ultra-relativistic collision energies (where the flow coefficients are evaluated with respect to the respective event plane), we predict strong correlations between the flow harmonics with respect to the reaction plane. Based on an event-by-event selection of the midrapidity final state elliptic flow of nucleons we show that as a function of rapidity, (I) the sign of the triangular flow changes, (II) that the shape of v4 changes from convex to concave, and (III) that v3∝v1v2 and v4∝v22 for all different event classes, indicating strong correlations between all investigated harmonic flow coefficients.
We introduce a novel approach based on elastic and inelastic scattering rates to extract the hyper-surface of the chemical freeze-out from a hadronic transport simulation. We use the Ultra-relativistic Quantum Molecular Dynamics (UrQMD) model to extract the chemical freeze-out hyper-surface of pions and kaons in the energy range from Elab = 1:23A GeV to √SNN = 7.7 GeV. By employing a coarse-graining procedure, we can extract the local temperature T and baryo-chemical potential μB on the chemical freeze-out surface and compare them to results from statistical model analysis. We find good agreement between the pion chemical freeze-out line extracted from the simulation and the freeze-out line from the statistical model extracted from data. In addition the simulations also hint towards the existence of a flavor hierarchy similar to the one observed in recent lattice QCD calculations.
In order to understand the origin of the elements in the universe, one must understand the nuclear reactions by which atomic nuclei are transformed. There are many different astrophysical environments that fulfill the conditions of different nucleosynthesis processes. Even though great progress has been made in recent decades in understanding the origin of the elements in the universe, some questions remain unanswered. In order to understand the processes, it is necessary to measure cross sections of the involved reactions and constrain theoretical model predictions. A variety of methods have been developed to measure nuclear reaction cross sections relevant for nuclear astrophysics. In this thesis, two different experiments and their results, both using the well-established activation method, are presented.
A measurement of the proton capture cross section on the p-nuclide 96Ru was performed at the Institute of Structure and Nuclear Astrophysics ISNAP - Notre Dame, USA. The main goal of this experiment was to compare the results with those obtained by Mei et al. in a pioneering experiment using the method of inverse kinematics at the GSI Helmholtzzentrum für Schwerionenforschung GmbH - Darmstadt, Germany. Therefore, the activations were taken out at the same center of mass energies of 9 MeV, 10 MeV and 11 MeV. Another activation was taken out at an energy of 3.2 MeV to compare the result to a measurement of Bork et al. who also used the activation method. While the results at 3.2 MeV agree quite well with those of Bork et al., the results at higher energies show significantly smaller cross sections than those measured by Mei et al.. Experimental details, the data analysis and sources of uncertainties are discussed.
The second part of this thesis describes a neutron capture cross section experiment. At the Institut für Kernphysik - Goethe Universtität Frankfurt an experimental setup allows to produce quasi maxwell-distributed neutron fields to measure maxwell-averaged cross sections (MACS) relevant for s-process nucleosynthesis. The setup was upgraded by a fast electric linear guide to transport samples from the activation to the detection site. The cyclic activation of the sample allows to increase the signal-to-noise ratio and to measure neutron captures that lead to nuclei with
half-lives on the order of seconds. In a first campaign, MACS of the reactions 51V(n,γ), 107,109Ag(n,γ) and 103Rh(n,γ) were measured. The new components of the setup aswell as the data analysis framework are described and the results of the measurements are discussed.
Focused ion beam induced deposition (FIBID) is a direct-write technique enabling the growth of individual nanostructures of any shape and dimension with high lateral resolution. Moreover, the fast and reliable writing of periodically arranged nanostructures can be used to fabricate devices for the investigation of collective phenomena and to design novel functional metamaterials. Here, FIBID is employed to prepare dc-Josephson junction arrays (dc-JJA) consisting of superconducting NbC dots coupled through the proximity effect via a granular metal layer. The fabrication is straightforward and allows the preparation of dc-JJA within a few seconds. Microstructure and composition of the arrays are investigated by transmission electron microscopy and energy dispersive X-ray spectroscopy. The superconductor-to-metal transition of the prepared dc-JJA is studied in a direct way, by tuning the Josephson junction resistance in 70 nm-spaced superconducting NbC dots. The observed magnetoresistance oscillations with a period determined by the flux quantum give evidence for the coherent charge transport by paired electrons. Moreover, the measured resistance minima correspond to two fundamental matching configurations of fluxons in the dc-JJA, caused by magnetic frustration. The robust properties of the prepared dc-JJA demonstrate the opportunities for a fast preparation of complex device configurations using direct-write approaches.
We study the propagation of charm quarks in the quark-gluon plasma (QGP) by means a relativistic Boltzmann transport (RBT) approach coupled to electromagnetic field. The interplay between these fields is responsible to generate large rapidity odd directed flow v1 of D mesons and for a large splitting of directed flow Δv1 between neutral D and anti-D mesons. We show that the large v1 is generated by the longitudinal asymmetry between the bulk matter and the charm quarks and by a large non-perturbative interaction in the QGP medium.
Highlights
• Sampling the large conformational space of disordered proteins requires extensive molecular dynamics (MD) simulations.
• Fragment assembly complements MD simulations to produce extensive ensembles of disordered proteins with atomic detail.
• Hierarchical chain growth (HCG) ensembles capture key experimental descriptors “out of the box”.
• HCG has revealed local structural characteristics associated with protein dysfunction in neurodegeneration.
Abstract
Disordered proteins and nucleic acids play key roles in cellular function and disease. Here, we review recent advances in the computational exploration of the conformational dynamics of flexible biomolecules. While atomistic molecular dynamics (MD) simulation has seen a lot of improvement in recent years, large-scale computing resources and careful validation are required to simulate full-length disordered biopolymers in solution. As a computationally efficient alternative, hierarchical chain growth (HCG) combines pre-sampled chain fragments in a statistically reproducible manner into ensembles of full-length atomically detailed biomolecular structures. Experimental data can be integrated during and after chain assembly. Applications to the neurodegeneration-linked proteins α-synuclein, tau, and TDP-43, including as condensate, illustrate the use of HCG. We conclude by highlighting the emerging connections to AI-based structural modeling including AlphaFold2.
Recently, an approximate SU(4) chiral spin-flavour symmetry was observed in multiplet patterns of QCD meson correlation functions, in a temperature range above the chiral crossover. This symmetry is larger than the chiral symmetry of massless QCD, and can only arise effectively when colour-electric quark-gluon interactions dynamically dominate the quantum effective action. At temperatures about three times the crossover temperature, these patterns disappear again, indicating the screening of colour-electric interactions, and the expected chiral symmetry is recovered. In this contribution we collect independent evidence for such an intermediate temperature range, based on screening masses and the pion spectral function. Both kinds of observables behave non-perturbatively in this window, with resonance-like peaks for the pion and its first excitation disappearing gradually with temperature. Using symmetry arguments and the known behaviour of screening masses at small densities, we discuss how this chiral spin symmetric band continues into the QCD phase diagram.
We discuss aspects of the phase structure of a three-dimensional effective lattice theory of Polyakov loops derived from QCD by strong coupling and hopping parameter expansions. The theory is valid for the thermodynamics of heavy quarks where it shows all qualitative features of nuclear physics emerging from QCD. In particular, the SU(3) pure gauge effective theory also exhibits a first-order thermal deconfinement transition due to spontaneous breaking of its global Z₃ center symmetry. The presence of heavy dynamical quarks breaks this symmetry explicitly and consequently, the transition weakens with decreasing quark mass until it disappears at a critical endpoint. At non-zero baryon density, the effective theory can be evaluated either analytically by the so-called high-temperature expansion which does not suffer from the sign problem, or numerically by standard Monte-Carlo methods due to its mild sign problem. The first part of this work devotes to a systematic derivation of the effective theory up to the 6th order in the hopping parameter κ. This method combined with the SU(3) link update algorithm provides a way to simulate the O(κ⁶) effective theory. The second part involves a study of the deconfinement transition of the pure gauge effective theory, with and without static quarks, at all chemical potentials with help of the high-temperature expansion. Our estimate of the deconfinement transition and its critical endpoint as a function of quark mass and all chemical potentials agrees well with recent Monte-Carlo simulations. In the third part, we investigate the N ſ ∈ {1,2} effective theory with zero chemical potential up to O(κ⁴). We determine the location of the critical hopping parameter at which the first-order deconfinement phase transition terminates and changes to a crossover. Our results for the critical endpoint of the O(κ²) effective theory are in excellent agreement with the determinations from simulations of four-dimensional QCD with a hopping expanded determinant by the WHOT-QCD collaboration. For the O(κ⁴) effective theory, our estimate suggests that the critical quark mass increases as the order of κ-contributions increases. We also compare with full lattice QCD with N ſ = 2 degenerate standard Wilson fermions and thus obtain a measure for the validity of both the strong coupling and the hopping expansion in this regime.
We present our recent results on antiheavy-antiheavy-light-light tetraquark systems using lattice QCD. Our study of the b¯b¯us four-quark system with quantum numbers JP=1+ and the b¯c¯ud four-quark systems with I(JP)=0(0+) and I(JP)=0(1+) utilizes scattering operators at the sink to improve the extraction of the low-lying energy levels. We found a bound state for b¯b¯us with Ebind,b¯b¯us=(−86±22±10)MeV, but no indication for a bound state in both b¯c¯ud channels. Moreover, we show preliminary results for b¯b¯ud with I(JP)=0(1+), where we used scattering operators both at the sink and the source. We found a bound state and determined its infinite-volume binding energy with a scattering analysis, resulting in Ebind,b¯b¯ud=(−103±8)MeV.
This work ties in with the investigation of the intermediate valent states and valence fluctuations in certain europium based intermetallic systems. Valence fluctuations are a property of the electronic system of a compound that is possibly accompanied by structural effects, which, in some cases, are quite noticable. By assuming how the changes in the electronic system and in the crystal lattice are connected, valence _uctuations of europium are believed to be a possible probe for the theory of quantum critical elasticity, which is investigated on by the SFB TRR 288 (Frankfurt, Mainz, Karlsruhe, Bochum, Dresden).
Here, the proceedings in growing single crystals of di_erent compounds related to this _eld of research are reported. This includes the ThCr2Si2 (122) type compounds EuPd2Si2 as well as the doping series EuPd2(Si1-xGex)2, the Europium based ternary Phosphides EuFe2P2, EuCo2P2, EuNi2P2 and EuRu2P2, and attempts to grow compounds of a derived 1144 structure by ordered substitution of half the Europium, EuKRu4P4.
The largest part of this work focusses on the EuPd2Si2 system, which exhibits intermediate valent europium and a temperature dependent transition between two di_erent intermediate valent states of europium. Crystals of this system were grown using the Czochralski method with a levitating melt and an europium excess flux after a two step prereaction process. Also, explorations of a PdSi-rich flux and external flux methods are reported. Ten Czochralski grown experiments, in six generations iteratevely seeded by the previous generation, were prepared.
Thermodynamical and structural analyses of the crystals located the transition between the di_erent intermediate valent states of europium between 140K and 165 K, transitioning from a high temperature Eu2.3+ state to a low temperature Eu2.7+ state, and classified it as a second order transition. To this transition a lattice anomaly of the a-parameter collapsing about 2% is connected, while the c-parameter remains largely unaffected. Large differences between individual samples can be explained by combining thermodynamical and structural analyses with compositional analysis, revealing the valence transition temperature as strongly dependent on the sample composition and Pd-Si site interchanges.
Searching to change the character of the valence transition to first order, silicon was substituted by germanium to introduce negative pressure. Germanium substituted samples of EuPd2(Si1-xGex)2 were grown using the Czochralski method with the optimized parameters from the growth experiments for the undoped compound. Samples were prepared with a nominal substitution of x = 0.05, x = 0.10, x = 0.15, x = 0.20 (twice) and x = 0.30. For the EuPd2(Si1-xGex)2 system, a phase diagram for the europium valence states is derived from chemical and thermodynamical characterizations.
n ternary europium phosphides EuT2P2, the position of the compounds in the generalized phase diagram and the question of long range magnetic order or valence transition appear connected to an isostructural transition of the tetragonal crystal structure, drastically decreasing the length of the c-parameter while establishing covalent bonds between phosphorus atoms of different interlayers of the structure, the so called ‚collapse‘. While EuFe2P2, EuT2P2 and EuCo2P2 display both long range magnetic order and a non-collapsed crystal structure, EuNi2P2 shows both a valence transition between two intermediate valent states at a characteristic temperature of 36K - accompanied by a small lattice anomaly of the a-parameter shrinking about 0.2% - and a collapsed crystal structure. Samples of EuFe2P2, EuCo2P2 and EuNi2P2 were grown in tin flux and using solid-solid sintering approaches.
Single crystals of EuFe2P2, EuCo2P2 and EuRu2P2 were investigated at ESRF in Grenoble with single crystal X-ray di_ractometry on a pressure range up to 15GPa and at temperatures down to 15K to investigate the nature of the structural transitions in the compounds. While in EuCo2P2 the structural transition occurs as a transition of first order at all temperatures (e.g. at 2GPa for 15 K), in EuFe2P2 and EuRu2P2 the structural collapse evolves over a broad pressure range up to 8GPa and as a transition of second order troughout the temperature ranges, albeit seeming to sharpen at lower temperatures. From the crystallographic data, elastic constants of the compounds could be derived, revealing EuFe2P2 and EuRu2P2 as unexpectedly elastic materials.
In order to probe the structural collapse at more accessible pressures, crystals with a sturcture derived from the 122 structure, but with ordered 50% substitution of europium and hence altering the symmetry from I4/mmm to P4/mmm in a 1144 structure, were exploratively pursued. Different experiments to obtain EuAT4P4 (with A = K, Rb, Cs and T = Fe, Ru) from binary or ternary prereactants or directly from the elements remained largely unsuccessful.
In this work we study the 3+1-dimensional Nambu-Jona-Lasinio (NJL) model in the mean field-approximation. We carry out calculations using five different regularization schemes (two continuum and three lattice regularization schemes) with particular focus on inhomogeneous phases and condensates. The regularization schemes lead to drastically different inhomogeneous regions. We provide evidence that inhomogeneous condensates appear for all regularization schemes almost exclusively at values of the chemical potential and with wave numbers, which are of the order of or even larger than the corresponding regulators. This can be interpreted as indication that inhomogeneous phases in the 3+1-dimensional NJL model are rather artifacts of the regularization and not a consequence of the NJL Lagrangian and its symmetries.
We studied 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 was found for one of the two regularizations. Our results suggest that there is no inhomogeneous phase in the continuum limit. We showed 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.
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.
We study the high temperature transition in pure SU(3) gauge theory and in full QCD with 3D-convolutional neural networks trained as parts of either unsupervised or semi-supervised learning problems. Pure gauge configurations are obtained with the MILC public code and full QCD are from simulations of Nf=2+1+1 Wilson fermions at maximal twist. We discuss the capability of different approaches to identify different phases using as input the configurations of Polyakov loops. To better expose fluctuations, a standardized version of Polyakov loops is also considered.
We study the polarization of relativistic fluids using the relativistic density operator at global and local equilibrium. In global equilibrium, a new technique to compute exact expectation values is introduced, which is used to obtain the exact polarization vector for fields of any spin. The same result has been extended to the case of massless fields. Furthermore, it is demonstrated that at local equilibrium not only the thermal vorticity but also the thermal shear contribute to the polarization vector. It is shown that assuming an isothermal local equilibrium, the new term can solve the polarization sign puzzle in heavy ion collisions.
In this paper, we present an overview of some of the existing issues of the research in quantum gravity. We also introduce the basic ideas that led Padmanabhan to consider a duality property in path integrals. Such a duality is consistent with the T-duality in string theory. More importantly, the path integral duality discloses a universal feature of any quantum geometry, namely the existence of a zero point length L0. We also comment about recent developments aiming to expose effects of the zero point length in strong electrodynamics and black holes. There are reasons to believe that the main characters of the phenomenology of quantum gravity may be described by means of a single parameter like L0.
The creation of loosely bound objects in heavy ion collisions, e.g. light clusters, near the phase transition temperature () has been a puzzling observation that seems to be at odds with Big Bang nucleosynthesis suggesting that deuterons and other clusters are formed only below a temperature . We solve this puzzle by showing that the light cluster abundancies in heavy ion reactions stay approximately constant from chemical freeze-out to kinetic freeze-out. To this aim we develop an extensive network of coupled reaction rate equations including stable hadrons and hadronic resonances to describe the temporal evolution of the abundancies of light (anti-)(hyper-)nuclei in the late hadronic environment of an ultrarelativistic heavy ion collision. It is demonstrated that the chemical equilibration of the light nuclei occurs on a very short timescale as a consequence of the strong production and dissociation processes. However, because of the partial chemical equilibrium of the stable hadrons, including the nucleon feeding from Δ resonances, the abundancies of the light nuclei stay nearly constant during the evolution and cooling of the hadronic phase. This solves the longstanding contradiction between the thermal fits and the late stage coalescence (and the Big Bang nucleosynthesis) and explains why the observed light cluster yields are compatible with both a high chemical production temperature and a late state emission as modeled by coalescence. We also note in passing that the abundancies of the light clusters in the present approach are in excellent agreement with those measured by ALICE at LHC.
Background: The photon strength functions (PSFs) and nuclear level density (NLD) are key ingredients for calculation of the photon interaction with nuclei, in particular the reaction cross sections. These cross sections are important especially in nuclear astrophysics and in the development of advanced nuclear technologies.
Purpose: The role of the scissors mode in the M1 PSF of (well-deformed) actinides was investigated by several experimental techniques. The analyses of different experiments result in significant differences, especially on the strength of the mode. The shape of the low-energy tail of the giant electric dipole resonance is uncertain as well. In particular, some works proposed a presence of the E1 pygmy resonance just above 7 MeV. Because of these inconsistencies additional information on PSFs in this region is of great interest.
Methods: The γ-ray spectra from neutron-capture reactions on the 234U, 236 U, and 238 U nuclei have been measured with the total absorption calorimeter of the n_TOF facility at CERN. The background-corrected sum-energy and multi-step-cascade spectra were extracted for several isolated s-wave resonances up to about 140 eV.
Results: The experimental spectra were compared to statistical model predictions coming from a large selection of models of photon strength functions and nuclear level density. No combination of PSF and NLD models from literature is able to globally describe our spectra. After extensive search we were able to find model combinations with modified generalized Lorentzian (MGLO) E1 PSF, which match the experimental spectra as well as the total radiative widths.
Conclusions: The constant temperature energy dependence is favored for a NLD. The tail of giant electric dipole resonance is well described by the MGLO model of the E1 PSF with no hint of pygmy resonance. The M1 PSF must contain a very strong, relatively wide, and likely double-resonance scissors mode. The mode is responsible for about a half of the total radiative width of neutron resonances and significantly affects the radiative cross section.
We address the modification of open heavy-flavor mesons in a hot medium of light mesons within an effective theory approach consistent with chiral and heavy-quark spin-flavor symmetries and the use of the imaginarytime formalism to introduce the non-zero temperature effects to the theory. The unitarized scattering amplitudes, the ground-state self-energies and the corresponding spectral functions are calculated self-consistently. We use the thermal ground-state spectral functions obtained with this methodology to further calculate 1) open-charm meson Euclidean correlators, and 2) off-shell transport coefficients in the hadronic phase.
Recent experimental findings have reported the presence of unconventional charge orders in the enlarged (2 × 2) unit-cell of kagome metals AV3Sb5 (A = K, Rb, Cs) and hinted towards specific topological signatures. Motivated by these discoveries, we investigate the types of topological phases that can be realized in such kagome superlattices. In this context, we employ a recently introduced statistical method capable of constructing topological models for any generic lattice. By analyzing large data sets generated from symmetry-guided distributions of randomized tight-binding parameters, and labeled with the corresponding topological index, we extract physically meaningful information. We illustrate the possible real-space manifestations of charge and bond modulations and associated flux patterns for different topological classes, and discuss their relation to present theoretical predictions and experimental signatures for the AV3Sb5 family. Simultaneously, we predict higher-order topological phases that may be realized by appropriately manipulating the currently known systems.
We use lattice QCD to investigate the existence of strong-interaction-stable antiheavy-antiheavy-light-light tetraquarks. We study the ¯𝑏¯𝑏𝑢𝑠 system with quantum numbers 𝐽𝑃=1+ as well as the ¯𝑏¯𝑐𝑢𝑑 systems with quantum numbers 𝐼(𝐽𝑃)=0(0+) and 𝐼(𝐽𝑃)=0(1+). We carry out computations on five gauge-link ensembles with 2+1 flavors of domain-wall fermions, including one at the physical pion mass. The bottom quarks are implemented using lattice nonrelativistic QCD, and the charm quarks using an anisotropic clover action. In addition to local diquark-antidiquark and local meson-meson interpolating operators, we include nonlocal meson-meson operators at the sink, which facilitates the reliable determination of the low-lying energy levels. We find clear evidence for the existence of a strong-interaction-stable ¯𝑏¯𝑏𝑢𝑠 tetraquark with binding energy (−86±22±10) MeV and mass (10609±22±10) MeV. For the ¯𝑏¯𝑐𝑢𝑑 systems we do not find any indication for the existence of bound states, but cannot rule out their existence either.
High-resolution, compactness, scalability, efficiency – these are the critical requirements which imaging radar systems have to fulfil in applications such as environmental monitoring, cloud mapping, body sensing or autonomous driving. This thesis presents a modular millimetre-wave frequency modulated continuous-wave (FMCW) radar front-end solution intended for such applications. High-resolution is achieved by enlarging the operating frequency band of the radar system. This can be realized at millimetre-wave frequencies due to the large spectrum availability. Furthermore, the size of components decreasing with increasing frequency makes millimetre-wave systems a good candidate for compactness. However, the full integration of radar front-ends is a challenge at millimetre-wave frequencies due to poor signal integrity and spectral purity, which are essential for imaging applications. The proposed radar uses an alternative technique and tackles this limitation by featuring highly-integrable architectures, specifically the Hartley architecture for signal conversion and enhanced push-pull amplifier for harmonic suppression. The resolution of imaging radars can be further improved by increasing the number of transmitters and receivers. This has spurred the investigation of spectrum, time and energy-efficient multiplexing techniques for multi-input multi-output (MIMO) radar systems. The FMCW radar architecture proposed in this thesis is based on code-division technique using intra-pulse, also called intra-chirp modulation. This advanced scalable and non-complex solution, made possible by the latest achievements on direct digital synthesis for signal generation, guarantees signal integrity and compact size implementation. The proposed architecture is investigated by a thorough system analysis. A transmitter module and a receiver module for a 35 GHz imaging radar prototype are designed, fabricated and fully characterized to validate the feasibility of our novel approach for high-resolution highly-integrated MIMO front-ends.
Gravitational-wave cosmology with dark sirens: state of the art and perspectives for 3G detectors
(2022)
A joint fit of the mass and redshift distributions of the population of Binary Black Holes detected with Gravitational-Wave observations can be used to obtain constraints on the Hubble parameter and on deviations from General Relativity in the propagation of Gravitational Waves. We first present applications of this technique to the latest catalog of Gravitational-Wave events, focusing on the comparison of different parametrizations for the source-frame mass distribution of Black Hole Binaries. We find that models with more than one feature are favourite by the data, as suggested by population studies, even when varying the cosmology. Then, we discuss perspectives for the use of this technique with third generation Gravitational-Wave detectors, exploiting the recently developed Fisher information matrix Python code GWFAST.
Ion stopping in warm dense matter is a process of fundamental importance for the understanding of the properties of dense plasmas, the realization and the interpretation of experiments involving ion-beam-heated warm dense matter samples, and for inertial confinement fusion research. The theoretical description of the ion stopping power in warm dense matter is difficult notably due to electron coupling and degeneracy, and measurements are still largely missing. In particular, the low-velocity stopping range, that features the largest modelling uncertainties, remains virtually unexplored. Here, we report proton energy-loss measurements in warm dense plasma at unprecedented low projectile velocities. Our energy-loss data, combined with a precise target characterization based on plasma-emission measurements using two independent spectroscopy diagnostics, demonstrate a significant deviation of the stopping power from classical models in this regime. In particular, we show that our results are in closest agreement with recent first-principles simulations based on time-dependent density functional theory.
Vibrational energy transfer (VET) is emerging as key mechanism for protein functions, possibly playing an important role for energy dissipation, allosteric regulation, and enzyme catalysis. A deep understanding of VET is required to elucidate its role in such processes. Ultrafast VIS-pump/IR-probe spectroscopy can detect pathways of VET in proteins. However, the requirement of having a VET donor and a VET sensor installed simultaneously limits the possible target proteins and sites; to increase their number we compare six IR labels regarding their utility as VET sensors. We compare these labels in terms of their FTIR, and VET signature in VET donor-sensor dipeptides in different solvents. Furthermore, we incorporated four of these labels in PDZ3 to assess their capabilities in more complex systems. Our results show that different IR labels can be used interchangeably, allowing for free choice of the right label depending on the system under investigation and the methods available.
Spectral functions encode a wealth of information about the dynamics of any given system, and the determination of their non-perturbative characteristics is a long-standing problem in quantum field theory. Whilst numerical simulations of lattice QCD provide ample data for various Euclidean correlation functions, the inversion required to extract spectral functions is an ill-posed problem. In this work, we pursue previously established constraints imposed by field locality at finite temperature T, namely that spectral functions possess a non-perturbative representation which generalises the well-known Källén-Lehmann spectral form to T > 0. Using this representation, we analyse lattice QCD data of the spatial pseudo-scalar correlator in the temperature range 220–960 MeV, and obtain an analytic expression for the corresponding spectral function, with parameters fixed by the data. From the structure of this spectral function we find evidence for the existence of a distinct pion state above the chiral pseudo-critical temperature Tpc, and contributions from its first excitation, which gradually melt as the temperature increases. As a non-trivial test, we find that the extracted spectral function reproduces the corresponding temporal lattice correlator data for T = 220 MeV.
In quantum field theories at finite temperature spectral functions describe how particle systems behave in the presence of a thermal medium. Although data from lattice simulations can in principle be used to determine spectral function characteristics, existing methods rely on the extraction of these quantities from temporal correlators, which requires one to circumvent an illposed inverse problem. In these proceedings we report on a recent approach that instead utilises the non-perturbative constraints imposed by field locality to extract spectral function information directly from spatial correlators. In particular, we focus on the application of this approach to lattice QCD data of the spatial pseudo-scalar meson correlator in the temperature range 220−960 MeV, and outline why this data supports the conclusion that there exists a distinct pion state above the chiral pseudo-critical temperature Tpc.
Sensors for high rate charge particle tracking have to withstand the harsh radiation doses deposited by the particles to be sensed. This holds particularly for the novel CMOS Monolithic Active Pixel Sensors, which are considered a promising sensor technology for future vertex detectors due to their very light material budget and excellent spatial resolution. To resist the radiation doses expected close to the interaction regions of heavy-ion experiments, the sensors have to be hardened against radiation doses, which exceed the native tolerance of CMOS technology significantly. In this thesis, the results of non-ionizing radiation hardness studies at the IKF on sensor prototypes developed at the IPHC in Strasbourg are presented. Our results demonstrate that the CMOS sensors evaluated in the context of this thesis can withstand non-ionizing radiation of up to 5×10^14 neq/cm^2. This hardness qualifies them as promising candidates for use in future vertex detectors.
The proton drip-line nucleus 17Ne is investigated experimentally in order to determine its two-proton halo character. A fully exclusive measurement of the 17Ne(p, 2p)16F∗ →15O+p quasi-free one-proton knockout reaction has been performed at GSI at around 500 MeV/nucleon beam energy. All particles resulting from the scattering process have been detected. The relevant reconstructed quantities are the angles of the two protons scattered in quasi-elastic kinematics, the decay of 16F into 15O (including γ decays from excited states) and a proton, as well as the 15O+p relative-energy spectrum and the 16F momentum distributions. The latter two quantities allow an independent and consistent determination of the fractions of l = 0 and l = 2 motion of the valence protons in 17Ne. With a resulting relatively small l = 0 component of only around 35(3)%, it is concluded that 17Ne exhibits a rather modest halo character only. The quantitative agreement of the two values deduced from the energy spectrum and the momentum distributions supports the theoretical treatment of the calculation of momentum distributions after quasi-free knockout reactions at high energies by taking into account distortions based on the Glauber theory. Moreover, the experimental data allow the separation of valence-proton knockout and knockout from the 15O core. The latter process contributes with 11.8(3.1) mb around 40% to the total proton-knockout cross section of 30.3(2.3) mb, which explains previously reported contradicting conclusions derived from inclusive cross sections.
The new heavy ion superconducting continuous wave HElmholtz LInear ACcelerator (HELIAC) is under construction at GSI. A normal conducting injector, comprising an ECR ion source, an RFQ and a DTL, is recently in development. The new Interdigital H-mode DTL, presented in this paper, accelerates the heavy ion beam from 300 to 1400 keV/u, applying an Alternating Phase Focusing (APF) beam dynamics scheme. This APF section, consisting of two separately controlled tanks, has to provide for stable routine operation with assistance of dedicated beam diagnostics devices in the Intertank section. The installed quadrupole lenses and beam steerers installed there ensure full transmission in a wide range of input beam parameters.
Transport of lipids across membranes is fundamental for diverse biological pathways in cells. Multiple ion-coupled transporters take part 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 acid 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.
Die minoren Aktinoiden dominieren auf lange Sicht die Radioaktivität des gesamten abgebrannten Brennstoffes und können somit, obwohl sie nur etwa 0,2 % davon ausmachen, als die Hauptverursacher der Endlagerproblematik betrachtet werden.
Neben einer möglichen Endlagerung und den damit verbundenen Problemen, bietet die Transmutation eine Alternative im Umgang mit dieser Art der radioaktiven Abfälle. Hierbei werden die minoren Aktinoide durch Neutroneneinfang zur Spaltung angeregt, wodurch sowohl deren Halbwertszeit, als auch deren Radiotoxizität deutlich reduziert werden soll.
Innerhalb des in der vorliegenden Arbeit vorgestellten MYRRHA-Projektes, das im belgischen Mol realisiert werden soll, soll gezeigt werden, dass die Transmutation in einem industriellen Maßstab möglich ist. Bei MYRRHA handelt es sich um ein sog. ADS (Accelerator Driven System), bei dem ein 4 mA Protonenstrahl mit 600 MeV in einem Target aus LBE (Lead-Bismuth Eutectic) per Spallation Neutronen erzeugen soll, die für die Transmutation in einem ansonsten unterkritischen Reaktor notwendig sind. Da eine solche Anlage enorme Ansprüche an die Zuverlässigkeit des Teilchenstrahls stellt, um den thermischen Stress innerhalb des Reaktors so gering wie möglich zu halten, werden auch hohe Ansprüche an die verwendeten Kavitäten innerhalb des Beschleunigers gestellt.
Besonderes Augenmerk muss hierbei auf den Injektor gelegt werden. In diesem wird der Protonenstrahl auf 16,6 MeV beschleunigt, wobei in seinem aktuellen Design nur noch normalleitende Kavitäten verwendet werden.
Als erstes beschleunigendes Bauteil nach der Ionenquelle fungiert hier ein im Rahmen der vorliegenden Arbeit gebauter 4-Rod-RFQ, dessen HF-Design auf dem bereits am IAP getesteten MAX-Prototypen basiert.
Für den MYRRHA-RFQ konnte eine neue Art der Dipolkompensation für 4-Rod-RFQs entwickelt werden, die bereits in anderen Beschleunigern, wie etwa dem neuen HLI-RFQ-Prototypen eingesetzt werden konnte. Hierbei werden die Stützen, auf denen die Elektroden befestigt werden alternierend verbreitert, um so den Strompfad zum niedrigeren Elektrodenpaar zu verlängern, wodurch sich die dortige Spannung erhöht. Im Zuge dieser Entwicklung wurden Simulations- und Messmethoden erarbeitet, um den Dipolanteil sowohl an bereits gebauten, wie auch an zukünftigen 4-Rod-RFQs untersuchen zu können. Der Erfolg dieser neuartigen Dipolkompensation konnte in den Low-Level-Messungen, die sich an den Zusammenbau des MYRRHA-RFQs anschlossen, validiert werden.
Die CH-Sektion, die im MYRRHA-Injektor auf den RFQ und die MEBT folgt, besteht aus insgesamt 16 normalleitenden Kavitäten. Sie gliedert sich in sieben beschleunigende CHs, auf die ein CH-Rebuncher und weitere acht beschleunigende CHs folgen.
Im Rahmen der vorliegenden Arbeit wurde - aufbauend auf bereits vorhandenen Entwürfen - das Design der ersten sieben CH-Strukturen des MYRRHA-Injektors erstellt und hinsichtlich seiner HF-Eigenschaften optimiert.
Die dabei während den Simulationen zu CH1 auftretende Problematik einer parasitären Tunermode konnte durch zahlreiche Simulationen umgangen werden.
Weiter wurde das aus der FRANZ-CH bekannte Kühlkonzept überarbeitet, um eine hohe thermische Stabilität gewährleisten zu können, wobei mehrere verschiedene Konzepte entwickelt, simuliert und bewertet wurden.
Das so entwickelte HF- und Kühldesign der ersten sieben MYRRHA-CHs dient als Vorlage für die weiteren MYRRHA-CHs sowie für zukünftige Beschleunigerprojekte, wie etwa HBS am Forschungszentrum Jülich.
Im Anschluss an die Designphase wurden die ersten beiden CH-Strukturen des Injektors und ein zusätzlicher dickschichtverkupferter Deckel für CH1 von den Fimen NTG und PINK gefertigt und anschließend Low-Level-Messungen unterzogen, in denen die Simulationsergebnisse bestätigt werden konnten, während diese Messungen zusätzlich als Vorbereitung für die Konditionierung dienten.
Sowohl der MYRRHA-RFQ, als auch die CH-Strukturen wurden nach ihren jeweiligen Low-Level-Messungen duch eine Konditionierung auf den späteren Strahlbetrieb vorbereitet.\\
Die Konditionierung des MYRRHA-RFQ erfolgte in zwei Phasen. Zunächst wurde er in der Experimentierhalle des IAP im cw-Betrieb vorkonditioniert, bevor er nach Louvain-la-Neuve transportiert wurde. In der dort fortgesetzten Konditionierung, die sowohl gepulst, als auch im cw-Betrieb erfolgte, konnten im Rahmen dieser Arbeit 120 kW cw stabil eingkoppelt werden, wobei diese transmittierte Leistung später noch vom SCK auf bis zu 145 kW cw gesteigert wurde. Nach Abschluss der Konditionierung konnten sowohl vom IAP, als auch vom SCK Röntgenspektren aufgenommen werden, um so die Shuntimpedanz bestimmen zu können. Die Ergebnisse dieser Messungen zusammen mit der alternativen Bestimmung der Shuntimpedanz über den R/Q-Wert wurden ebenfalls in dieser Arbeit besprochen.
Die CH-Kavitäten wurden im Bunker der Experimentierhalle des IAP konditioniert, wobei zusätzlich neue Konditionierungsmethoden erarbeitet und erprobt werden konnten. In den abschließenden Untersuchungen, die sich an jede der drei Konditionierungen anschlossen, konnten Erkenntnisse über das thermische Verhalten der CHs, sowie über den Einfluss verschiedener Verschaltungen des Kühlsystems darauf gewonnen werden, die bei der Installation auch zukünftiger CHs von Nutzen sein werden.
The stellar nucleosynthesis of elements heavier than iron can primarily be attributed to neutron capture reactions in the s and r process. While the s process is considered to be well understood with regards to the stellar sites, phases and conditions where it occurs, nucleosynthesis networks still need accurate neutron capture cross sections
with low uncertainties as input parameters. Their quantitative outputs for the isotopic abundances produced in the s process, coupled with the observable solar abundances, can be used to indirectly infer the expected r process abundances. The two stable gallium isotopes, 69Ga and 71Ga, have been shown in sensitivity studies to have considerable impact on the weak s process in massive stars. The available experimental data, mostly derived from neutron activation measurements for quasi-stellar neutron spectra at kBT = 25 keV, show disagreements up to a factor of three.
Determining the differential neutron capture cross section can provide input data for the whole range of astrophysically relevant energies. To that end, a neutron time of flight experimental campaign at the n_TOF facility at CERN was performed for three months, using isotopically enriched samples of both isotopes. The data taken at the EAR1 experimental area covered a wide neutron energy range from thermal to several hundred keV. The respective differential and spectrum averaged neutron capture cross sections for 69Ga and 71Ga were determined in this thesis. They show good agreement with the evaluated cross sections for 71Ga, but reproduce the deviations from the evaluated data that other, more recent activation measurements showed for 69Ga.
For the exploration of the phase diagram of QCD, effective Polyakov loop theories derived from lattice QCD provide a valuable tool in the heavy quark mass regime. In practice, the evaluation of these theories is complicated by the appearance of long-range and multipoint interaction terms. On the other hand, it is well known that for theories with such kind of interactions mean field approximations can be expected to yield reliable results. Here, we apply this framework to the critical endpoint of the deconfinement transition and results are compared to the literature. This treatment can also be used to investigate the phase diagram at non-zero baryon and isospin chemical potential.
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.
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.
The Kitaev material α-RuCl3 is among the most prominent candidates to host a quantum spin-liquid state endowed with fractionalized excitations. Recent experimental and theoretical investigations have separately revealed the importance of both the magnetoelastic coupling and the magnetic anisotropy, in dependence of the applied magnetic field direction. In this combined theoretical and experimental research, we investigate the anisotropic magnetic and magnetoelastic properties for magnetic fields applied along the main crystallographic axes as well as for fields canted out of the honeycomb plane. We found that the magnetostriction anisotropy is unusually large compared to the anisotropy of the magnetization, which is related to the strong magnetoelastic Γ′˜-type coupling in our \textit{ab-initio} derived model. We observed large, non-symmetric magnetic anisotropy for magnetic fields canted out of the honeycomb ab-plane in opposite directions, namely towards the +c∗ or −c∗ axes, respectively. The observed directional anisotropy is explained by considering the relative orientation of the magnetic field with respect to the co-aligned RuCl6 octahedra. Magnetostriction measurements in canted fields support this non-symmetric magnetic anisotropy, however these experiments are affected by magnetic torque effects. Comparison of theoretical predictions with experimental findings allow us to recognize the significant contribution of torque effects in experimental setups where α-RuCl3 is placed in canted magnetic fields.
We review the composition and the equation of state of the hyperonic core of neutron stars at finite temperature within a relativistic mean-field approach. We make use of the new FSU2H∗ model, which is built upon the FSU2H scheme by improving on the Ξ potential according to the recent analysis on the Ξ atoms, and we extend it to include finite temperature corrections. The calculations are done for a wide range of densities, temperatures and charge fractions, thus exploring the different conditions that can be found in protoneutron stars, binary mergers remnants and supernovae explosions. The inclusion of hyperons has a strong effect on the composition and the equation of state at finite temperature, which consequently would lead to significant changes in the properties and evolution of hot neutron stars.
We present the novel finite-temperature FSU2H* equation-of-state model that covers a wide range of temperatures and lepton fractions for the conditions in proto-neutron stars, neutron star mergers and supernovae. The temperature effects on the thermodynamical observables and the composition of the neutron star core are stronger when the hyperonic degrees of freedom are considered. We pay a special attention to the temperature and density dependence of the thermal index in the presence of hyperons and conclude that the true thermal effects cannot be reproduced with the use of a constant Г law,
Purpose: A clinical implementation of ion-beam radiography (iRad) is envisaged to provide a method for on-couch verification of ion-beam treatment plans. The aim of this work is to introduce and evaluate a method for quantitative water-equivalent thickness (WET) measurements for a specific helium-ion imaging system for WETs that are relevant for imaging thicker body parts in the future.
Methods: Helium-beam radiographs (αRads) are measured at the Heidelberg Ion-beam Therapy Center with an initial beam energy of 239.5 MeV/u. An imaging system based on three pairs of thin silicon pixel detectors is used for ion path reconstruction and measuring the energy deposition (dE) of each particle behind the object to be imaged. The dE behind homogeneous plastic blocks is related to their well-known WETs between 280.6 and 312.6 mm with a calibration curve that is created by a fit to measured data points. The quality of the quantitative WET measurements is determined by the uncertainty of the measured WET of a single ion (single-ion WET precision) and the deviation of a measured WET value to the well-known WET (WET accuracy). Subsequently, the fitted calibration curve is applied to an energy deposition radiograph of a phantom with a complex geometry. The spatial resolution (modulation transfer function at 10 % —MTF10%) and WET accuracy (mean absolute percentage difference—MAPD) of the WET map are determined.
Results: In the optimal imaging WET-range from ∼280 to 300 mm, the fitted calibration curve reached a mean single-ion WET precision of 1.55
0.00%. Applying the calibration to an ion radiograph (iRad) of a more complex WET distribution, the spatial resolution was determined to be MTF10% = 0.49 0.03 lp/mm and the WET accuracy was assessed as MAPD to 0.21 %.
Conclusions: Using a beam energy of 239.5 MeV/u and the proposed calibration procedure, quantitative αRads of WETs between ∼280 and 300 mm can be measured and show high potential for clinical use. The proposed approach with the resulting image qualities encourages further investigation toward the clinical application of helium-beam radiography.
The STAR experiment provides a perfect machinery for studying strange matter for more than two decades. Recently, we developed the express procedure, which allows online monitoring of the collected physics data. The high quality of express calibration and reconstruction provides a unique possibility to run the express production and observe almost in real time strange particles including mesons, hyperons, resonances and even hypernuclei.
The STAR Beam Energy Scan II program, including fixed target Au+Au collisions taken in 2018–2021, is particularly suited to study hypernuclei. Light hypernuclei are expected to be abundantly produced in low energy heavy-ion collisions. Measurements of hypernuclei production and their properties will provide information on the hyperon-nucleon interactions, which are essential ingredients for understanding nuclear matter equation of state at high net-baryon densities, such as inside neutron stars.
With the heavy fragment trigger introduced for the 2021 data taking, we were able to run the express production at the STAR High Level Trigger farm. The collected data were suffcient to observe the decay process of Λ5He →4Hepπ− with more than 11σ significance, measure binding energy as a function of hypernuclei mass, and study hypernuclei decay properties with the Dalitz plot technique.
Effective three-dimensional Polyakov loop theories derived from QCD by strong coupling and hopping expansions are valid for heavy quarks and can also be applied to finite chemical potential μ, due to their considerably milder sign problem. We apply the Monte-Carlo method to the Nf=1,2 effective theories up to O(κ4) in the hopping parameter at μ=0 to determine the critical quark mass, at which the first-order deconfinement phase transition terminates. The critical end point obtained from the effective theory to order O(κ2) agrees well with 4-dimensional QCD simulations with a hopping expanded determinant by the WHOT-QCD collaboration. We also compare with full QCD simulations and thus obtain a measure for the validity of both the strong coupling and the hopping expansion in this regime.
The Compressed Baryonic Matter experiment at FAIR will investigate the QCD phase diagram in the region of high net-baryon densities. Enhanced production of strange baryons, such as the most abundantly produced Λ hyperons, can signal transition to a new phase of the QCD matter. In this work, the CBM performance for reconstruction of the Λ hyperon via its decay to proton and π− is presented. Decay topology reconstruction is implemented in the Particle-Finder Simple (PFSimple) package with Machine Learning algorithms providing effcient selection of the decays and high signal to background ratio.
In this thesis, the flow coefficients vn of the orders n = 1 − 6 are studied for protons and light nuclei in Au+Au collisions at Ebeam = 1.23 AGeV, equivalent to a center-of-mass energy in the nucleon-nucleon system of √sNN = 2.4 GeV. The detailed multi-differential measurement is performed with the HADES experiment at SIS18/GSI. HADES, with its large acceptance, covering almost full azimuth angle, combined with its high mass-resolution and good particle-identification capability, is well equipped to study the azimuthal flow pattern not only for protons, deuterons, and tritons but also for charged pions, kaons, the φ-mesons, electrons/positrons, as well as light nuclei like helions and alphas. The high statistics of more than seven billion Au-Au collisions recorded in April/May 2012 with HADES enables for the first time the measurement of higher order flow coefficients up to the 6th harmonic. Since the Fourier coefficient of 7th and 8th order are beyond the statistical significance only an upper bound is given. The Au+Au collision system is the largest reaction system with the highest particle multiplicities, which was measured so far with HADES. A dedicated correction method for the flow measurement had to be developed to cope with the reconstruction in-efficiencies due to occupancies of the detector system. The systematical bias of the flow measurement is studied and several sources of uncertainties identified, which mainly arise from the quality selection criteria applied to the analyzed tracks, the correction procedure for reconstruction inefficiencies, the procedures for particle identification (PID) and the effects of an azimuthally non-uniform detector acceptance. The systematic point-to-point uncertainties are determined separately for each particle type (proton, deuteron and triton), the order of the flow harmonics vn, and the centrality class. Further, the validity of the results is inspected in the range of their evaluated systematic uncertainties with several consistency checks. In order to enable meaningful comparisons between experimental observations and predictions of theoretical models, the classification of events should be well defined and in sufficiently narrow intervals of impact parameter. Part of this work included the implementation of the procedure to determine the centrality and orientation of the reaction.
In the conclusion the experimental results are discussed, including various scaling properties of the flow harmonics. It is found that the ratio v4/v2 for protons and light nuclei (deuterons and tritons) at midrapidity for all centrality classes approaches values close to 0.5 at high transverse momenta, which was suggested to be indicative for an ideal hydrodynamic behaviour. A remarkable scaling is observed in the pt dependence of v2 (v4) at mid-rapidity of the three hydrogen isotopes, when dividing by their nuclear mass number A (A^2) and pt by A. This is consistent with naive expectations from nucleon coalescence, butraises the question whether this mass ordering can also be explained by a hydrodynamical-inspired approach, like the blast-wave model. The relation of v2 and v4 to the shape of the initial eccentricity of the collision system is studied. It is found that v2 is independent of centrality for all three particle species after dividing it by the averaged second order participant eccentricity v2/⟨ε2⟩. A similar scaling is shown for v4 after division by ⟨ε2⟩^2.
The global center symmetry of quenched QCD at zero baryonic chemical potential is broken spontaneously at a critical temperature Tc leading to a first-order phase transition. Including heavy dynamical quarks breaks the center symmetry explicitly and weakens the first-order phase transition for decreasing quark masses until it turns into a smooth crossover at a Z(2)-critical point. We investigate the Z(2)-critical quark mass value towards the continuum limit for Nf=2 flavors using lattice QCD in the staggered formulation. As part of a continued study, we present results from Monte-Carlo simulations on Nτ=8,10 lattices. Several aspect ratios and quark mass values were simulated in order to obtain the critical mass from a fit of the Polyakov loop to a kurtosis finite size scaling formula. Moreover, the possibility to develop a Ginzburg-Landau effective theory around the Z(2)-critical point is explored.
Approaching the continuum limit of the deconfinement critical point for Nf=2 staggered fermions
(2022)
Quenched QCD at zero baryonic chemical potential undergoes a first-order deconfinement phase transition at a critical temperature Tc, which is related to the spontaneous breaking of the global center symmetry. The center symmetry is broken explicitly by including dynamical quarks, which weaken the first-order phase transition for decreasing quark masses. At a certain critical quark mass, which corresponds to the Z(2)-critical point, the first-order phase transition turns into a smooth crossover. We investigate the Z(2)-critical quark mass for Nf=2 staggered fermions on Nτ=8,10 lattices, where larger Nτ correspond to finer lattices. Monte-Carlo simulations are performed for several quark mass values and aspect ratios in order to extrapolate to the thermodynamic limit. We present final results for Nτ=8 and preliminary results for Nτ=10 for the critical mass, which are obtained from fitting to a kurtosis finite size scaling formula of the absolute value of the Polyakov loop.
Electronic and magnetic properties of the RuX3 (X=Cl, Br, I) family: two siblings - and a cousin?
(2022)
Motivated by reports of metallic behavior in the recently synthesized RuI3, in contrast to the Mott-insulating nature of the actively discussed α-RuCl3, as well as RuBr3, we present a detailed comparative analysis of the electronic and magnetic properties of this family of trihalides. Using a combination of first-principles calculations and effective-model considerations, we conclude that RuI3, similarly to the other two members, is most probably on the verge of a Mott insulator, but with much smaller magnetic moments and strong magnetic frustration. We predict the ideal pristine crystal of RuI3 to have a nearly vanishing conventional nearest-neighbor Heisenberg interaction and to be a quantum spin liquid candidate of a possibly different kind than the Kitaev spin liquid. In order to understand the apparent contradiction to the reported resistivity ρ, we analyze the experimental evidence for all three compounds and propose a scenario for the observed metallicity in existing samples of RuI3. Furthermore, for the Mott insulator RuBr3, we obtain a magnetic Hamiltonian of a similar form to that in the much-discussed α-RuCl3 and show that this Hamiltonian is in agreement with experimental evidence in RuBr3.
Vanadium and Manganese Carbonyls as Precursors in Electron-Induced and Thermal Deposition Processes
(2022)
The material composition and electrical properties of nanostructures obtained from focused electron beam-induced deposition (FEBID) using manganese and vanadium carbonyl precursors have been investigated. The composition of the FEBID deposits has been compared with thin films derived by the thermal decomposition of the same precursors in chemical vapor deposition (CVD). FEBID of V(CO)6 gives access to a material with a V/C ratio of 0.63–0.86, while in CVD a lower carbon content with V/C ratios of 1.1–1.3 is obtained. Microstructural characterization reveals for V-based materials derived from both deposition techniques crystallites of a cubic phase that can be associated with VC1−xOx. In addition, the electrical transport measurements of direct-write VC1−xOx show moderate resistivity values of 0.8–1.2 × 103 µΩ·cm, a negligible influence of contact resistances and signatures of a granular metal in the temperature-dependent conductivity. Mn-based deposits obtained from Mn2(CO)10 contain ~40 at% Mn for FEBID and a slightly higher metal percentage for CVD. Exclusively insulating material has been observed in FEBID deposits as deduced from electrical conductivity measurements. In addition, strong tendencies for postgrowth oxidation have to be considered.
We have investigated the systematic differences introduced when performing a Bayesian-inference analysis of the equation of state of neutron stars employing either variable- or constant-likelihood functions. The former have the advantage that it retains the full information on the distributions of the measurements, making an exhaustive usage of the data. The latter, on the other hand, have the advantage of a much simpler implementation and reduced computational costs. In both approaches, the EOSs have identical priors and have been built using the sound-speed parameterization method so as to satisfy the constraints from X-ray and gravitationalwaves observations, as well as those from Chiral Effective Theory and perturbative QCD. In all cases, the two approaches lead to very similar results and the 90%-confidence levels are essentially overlapping. Some differences do appear, but in regions where the probability density is extremely small and are mostly due to the sharp cutoff set on the binary tidal deformability Λ˜ ≤ 720 employed in the constant-likelihood analysis. Our analysis has also produced two additional results. First, a clear inverse correlation between the normalized central number density of a maximally massive star, nc,TOV/ns, and the radius of a maximally massive star, RTOV. Second, and most importantly, it has confirmed the relation between the chirp mass Mchirp and the binary tidal deformability Λ˜. The importance of this result is that it relates a quantity that is measured very accurately, Mchirp, with a quantity that contains important information on the micro-physics, Λ˜. Hence, once Mchirp is measured in future detections, our relation has the potential of setting tight constraints on Λ˜.
Tracking influenza a virus infection in the lung from hematological data with machine learning
(2022)
The tracking of pathogen burden and host responses with minimal-invasive methods during respiratory infections is central for monitoring disease development and guiding treatment decisions. Utilizing a standardized murine model of respiratory Influenza A virus (IAV) infection, we developed and tested different supervised machine learning models to predict viral burden and immune response markers, i.e. cytokines and leukocytes in the lung, from hematological data. We performed independently in vivo infection experiments to acquire extensive data for training and testing purposes of the models. We show here that lung viral load, neutrophil counts, cytokines like IFN-γ and IL-6, and other lung infection markers can be predicted from hematological data. Furthermore, feature analysis of the models shows that blood granulocytes and platelets play a crucial role in prediction and are highly involved in the immune response against IAV. The proposed in silico tools pave the path towards improved tracking and monitoring of influenza infections and possibly other respiratory infections based on minimal-invasively obtained hematological parameters.
To assess the degree of equilibration of the matter created in heavy-ion reactions at low to intermediate beam energies, a hadronic transport approach (SMASH) is employed. By using a coarse-graining method, we compute the energy momentum tensor of the system at fixed time steps and evaluate the degree of isotropy of the diagonal terms and the relative magnitude of the off-diagonal terms. This study focuses mostly on Au+Au collisions in the energy range s√NN
= 2.4–7.7 GeV, but central collisions of lighter ions like C+C, Ar+KCl and Ag+Ag are considered as well. We find that the conditions concerning local equilibration for a hydrodynamic description are reasonably satisfied in a large portion of the system for a significant amount of time (several fm/c) when considering the average evolution of many events, yet they are rarely fulfilled on an event by event basis. This is relevant for the application of hybrid approaches at low beam energies as they are or will be reached by the HADES experiment at GSI, the future CBM experiment at FAIR as well as the beam energy scan program at RHIC.
Bounded rationality is one crucial component in human behaviours. It plays a key role in the typical collective behaviour of evacuation, in which heterogeneous information can lead to deviations from optimal choices. In this study, we propose a framework of deep learning to extract a key dynamical parameter that drives crowd evacuation behaviour in a cellular automaton (CA) model. On simulation data sets of a replica dynamic CA model, trained deep convolution neural networks (CNNs) can accurately predict dynamics from multiple frames of images. The dynamical parameter could be regarded as a factor describing the optimality of path-choosing decisions in evacuation behaviour. In addition, it should be noted that the performance of this method is robust to incomplete images, in which the information loss caused by cutting images does not hinder the feasibility of the method. Moreover, this framework provides us with a platform to quantitatively measure the optimal strategy in evacuation, and this approach can be extended to other well-designed crowd behaviour experiments.
We refine our previous study of a udb¯b¯ tetraquark resonance with quantum numbers I(JP)=0(1−), which is based on antiheavy-antiheavy lattice QCD potentials, by including heavy quark spin effects via the mass difference of the B and the B∗ meson. This leads to a coupled channel Schrödinger equation, where the two channels correspond to BB and B∗B∗, respectively. We search for T matrix poles in the complex energy plane, but do not find any indication for the existence of a tetraquark resonance in this refined coupled channel approach. We also vary the antiheavy-antiheavy potentials as well as the b quark mass to further understand the dynamics of this four-quark system.
Effective spectral functions of the ρ meson are reconstructed by considering the lifetimes inside different media using the hadronic transport SMASH (Simulating Many Accelerated Strongly-interacting Hadrons). Due to inelastic scatterings, resonance lifetimes are dynamically shortened (collisional broadening), even though the employed approach assumes vacuum resonance properties. Analyzing the ρ meson lifetimes allows to quantify an effective broadening of the decay width and spectral function, which is important in order to distinguish dynamical effects from additional genuine medium modifications to the spectral functions, indicating e.g. an onset of chiral symmetry restoration. The broadening of the spectral function in a thermalized system is shown to be consistent with other theoretical calculations. The effective ρ meson spectral function is also presented for the dynamical evolution of heavy-ion collisions, finding a clear correlation of the broadening to system size, which is explained by an observed dependence of the width on the local hadron density. Furthermore, the difference in the results between the thermal system and full collision dynamics is explored, which may point to non-equilibrium effects.
The gas-phase reaction of O + H₃⁺ has two exothermic product channels: OH+ + H2 and H2O+ + H. In the present study, we analyze experimental data from a merged-beams measurement to derive thermal rate coefficients resolved by product channel for the temperature range from 10 to 1000 K. Published astrochemical models either ignore the second product channel or apply a temperature-independent branching ratio of 70% versus 30% for the formation of OH+ + H2 versus H2O+ + H, respectively, which originates from a single experimental data point measured at 295 K. Our results are consistent with this data point, but show a branching ratio that varies with temperature reaching 58% versus 42% at 10 K. We provide recommended rate coefficients for the two product channels for two cases, one where the initial fine-structure population of the O(3PJ) reactant is in its J = 2 ground state and the other one where it is in thermal equilibrium.