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Institute
- Physik (3598) (remove)
Intense ion beams with small phase space occupation (high brilliance) are mandatory to keep beam losses low in high current injector accelerators like those planned for FAIR. The low energy beam transport from the ion source towards the linac has to keep the emittance growth low and has to support the optimization of the ion source tune. The Frankfurt Neutron Source Facility FRANZ is currently under construction. An intense beam of protons (2 MeV, 200 mA) will be used for neutron production using the Li7(p,n)Be7 reaction for studies of the astrophysical s-process. A collimation channel, which can be adjusted to allow the transport of beams with a certain beam emittance, is an ideal tool to optimize the ion source tune in terms of beam brightness. Therefore a collimation channel in the Low Energy Beam Transport section will be used. Through defined apertures and transversal phase space rotation using focusing solenoids the beam halo as well as unwanted H2+ and H3+ fractions will be cut. Theoretical studies which were carried out so far and a first design of the setup will be presented.
Fluctuations of conserved quantities such as baryon number, charge, and strangeness are sensitive to the correlation length of the hot and dense matter created in relativistic heavy-ion collisions and can be used to search for the QCD critical point. We report the first measurements of the moments of net-kaon multiplicity distributions in Au+Au collisions at √sNN = 7.7, 11.5, 14.5, 19.6, 27, 39, 62.4, and 200 GeV. The collision centrality and energy dependence of the mean (M), variance (σ 2), skewness (S), and kurtosis (κ) for net-kaon multiplicity distributions as well as the ratio σ 2/M and the products Sσ and κσ 2 are presented. Comparisons are made with Poisson and negative binomial baseline calculations as well as with UrQMD, a transport model (UrQMD) that does not include effects from the QCD critical point. Within current uncertainties, the net-kaon cumulant ratios appear to be monotonic as a function of collision energy.
While the existence of a strongly interacting state of matter, known as “quark-gluon plasma” (QGP), has been established in heavy ion collision experiments in the past decade, the task remains to map out the transition from the hadronic matter to the QGP. This is done by measuring the dependence of key observables (such as particle suppression and elliptic flow) on the collision energy of the heavy ions. This procedure, known as "beam energy scan", has been most recently performed at the Relativistic Heavy Ion Collider (RHIC).
Utilizing a Boltzmann+hydrodynamics hybrid model, we study the collision energy dependence of initial state eccentricities and the final state elliptic and triangular flow. This approach is well suited to investigate the relative importance of hydrodynamics and hadron transport at different collision energies.
We study the two-flavor color superconductivity of low-temperature quark matter in the vicinity of chiral phase transition in the quark–meson model where the interactions between quarks are generated by pion and sigma exchanges. Starting from the Nambu–Gorkov propagator in real-time formulation we obtain finite temperature (real axis) Eliashberg-type equations for the quark self-energies (gap functions) in terms of the in-medium spectral function of mesons. Exact numerical solutions of the coupled nonlinear integral equations for the real and imaginary parts of the gap function are obtained in the zero temperature limit using a model input spectral function. We find that these components of the gap display a complicated structure with the real part being strongly suppressed above , 2Δ0 where Δ0 is its on-shell value. We find Δ0 ≈ 40 MeV close to the chiral phase transition.
An incoming or outgoing hadron in a hard collision with large momentum transfer gets squeezed in the transverse direction to its momentum. In the case of nuclear targets, this leads to the reduced interaction of such hadrons with surrounding nucleons which is known as color transparency (CT). The identification of CT in exclusive processes on nuclear targets is of significant interest not only by itself but also due to the fact that CT is a necessary condition for the applicability of factorization for the description of the corresponding elementary process. In this paper we discuss the semiexclusive processes A(e,e′π+) , A(π−,l−l+) and A(γ,π−p) . Since CT is closely related to hadron formation mechanism, the reduced interaction of ’pre-hadrons’ with nucleons is a common feature of generic high-energy inclusive processes on nuclear targets, such as hadron attenuation in deep inelastic scattering (DIS). We will discuss the novel way to study hadron formation via slow neutron production induced by a hard photon interaction with a nucleus. Finally, the opportunity to study hadron formation effects in heavy-ion collisions in the NICA regime will be considered.
The meaning of a recently proposed formalism for quantization of interacting fields is discussed by studying the consequences of the time-dependent unitary transformation which is essential for this approach. It turns out that non-relativistic quantum electrodynamics in dipole approximation may serve as a useful, although rather singular, example for this method. In the relativistic case a different point of view is suggested in order to avoid inconsistent interpretation. It is further possible to give arguments for a reasonable choice of the unitary transformation concerned.
A new era in experimental nuclear physics has begun with the start-up of the Large Hadron Collider at CERN and its dedicated heavy-ion detector system ALICE. Measuring the highest energy density ever produced in nucleus-nucleus collisions, the detector has been designed to study the properties of the created hot and dense medium, assumed to be a Quark-Gluon Plasma.
Comprised of 18 high granularity sub-detectors, ALICE delivers data from a few million electronic channels of proton-proton and heavy-ion collisions.
The produced data volume can reach up to 26 GByte/s for central Pb–Pb
collisions at design luminosity of L = 1027 cm−2 s−1 , challenging not only the data storage, but also the physics analysis. A High-Level Trigger (HLT) has been built and commissioned to reduce that amount of data to a storable value prior to archiving with the means of data filtering and compression without the loss of physics information. Implemented as a large high performance compute cluster, the HLT is able to perform a full reconstruction of all events at the time of data-taking, which allows to trigger, based on the information of a complete event. Rare physics probes, with high transverse momentum, can be identified and selected to enhance the overall physics reach of the experiment.
The commissioning of the HLT is at the center of this thesis. Being deeply embedded in the ALICE data path and, therefore, interfacing all other ALICE subsystems, this commissioning imposed not only a major challenge, but also a massive coordination effort, which was completed with the first proton-proton collisions reconstructed by the HLT. Furthermore, this thesis is completed with the study and implementation of on-line high transverse momentum triggers.
The femtoscopic study of pairs of identical pions is particularly suited to investigate the effective source function of particle emission, due to the resulting Bose-Einstein correlation signal. In small collision systems at the LHC, pp in particular, the majority of the pions are produced in resonance decays, which significantly affect the profile and size of the source. In this work, we explicitly model this effect in order to extract the primordial source in pp collisions at s√=13 TeV from charged π-π correlations measured by ALICE. We demonstrate that the assumption of a Gaussian primordial source is compatible with the data and that the effective source, resulting from modifications due to resonances, is approximately exponential, as found in previous measurements at the LHC. The universality of hadron emission in pp collisions is further investigated by applying the same methodology to characterize the primordial source of K-p pairs. The size of the primordial source is evaluated as a function of the transverse mass (mT) of the pairs, leading to the observation of a common scaling for both π-π and K-p, suggesting a collective effect. Further, the present results are compatible with the mT scaling of the p-p and p−Λ primordial source measured by ALICE in high multiplicity pp collisions, providing compelling evidence for the presence of a common emission source for all hadrons in small collision systems at the LHC. This will allow the determination of the source function for any hadron--hadron pairs with high precision, granting access to the properties of the possible final-state interaction among pairs of less abundantly produced hadrons, such as strange or charmed particles.
The structure and flexibility of RNA depends sensitively on the microenvironment. Using pulsed electron-electron double-resonance (PELDOR)/double electron-electron resonance (DEER) spectroscopy combined with advanced labeling techniques, we show that the structure of double-stranded RNA (dsRNA) changes upon internalization into Xenopus lævis oocytes. Compared to dilute solution, the dsRNA A-helix is more compact in cells. We recapitulate this compaction in a densely crowded protein solution. Atomic-resolution molecular dynamics simulations of dsRNA semi-quantitatively capture the compaction, and identify non-specific electrostatic interactions between proteins and dsRNA as a possible driver of this effect.
Anisotropic collective flow of protons resulting from non-central heavy ion collisions is a unique hadronic observable providing information about the early stage of the nuclear collision. The analysis of collective flow in the energy regime between 1-2 AGeV enables the study of the phase diagram of hadronic matter at a high baryochemical potential µb, as well as the analysis of the equation of state at densities up to the threefold of the ground state density ρ0.
The algorithms of the standard event plane method and the scalar product method are used to analyse directed and elliptic flow of protons in a centrality range of 0-40 % most central events.
Prior to the analysis of experimental data, the respective influence of the reconstruction procedure on the algorithms is examined using Monte Carlo simulations based on the Ultra relativistic Quantum Molecular Dynamics (UrQMD) model.
Subsequently, experimental data measured in April 2012 with the High Acceptance DiElectron Spectrometer (HADES) is analysed using both methods. About 7.3 · 109 Au+Au events at a kinetic beam energy of 1.23 AGeV, equivalent to a centre of mass energy of √sNN = 2.42 GeV were recorded. A multi-differential analysis is feasible as the HADES detector provides a good transverse momentum and rapidity coverage.
Both algorithms result in identical values for directed and elliptic flow across all centrality classes within the observable phase space of protons. The calculated integrated value of v2 at mid rapidity is in good agreement with world data.
Intermediate Mass Ratio Inspirals (IMRIs) will be observable with space-based gravitational wave detectors such as the Laser Interferometer Space Antenna (LISA). To this end, the environmental effects in such systems have to be modeled and understood. These effects can include (baryonic) accretion disks and dark matter (DM) overdensities, so called spikes. For the first time, we model an IMRI system with both an accretion disk and a DM spike present and compare their effects on the inspiral and the emitted gravitational wave signal. We study the eccentricity evolution, employ the braking index and derive the dephasing index, which turn out to be complementary observational signatures. They allow us to disentangle the accretion disk and DM spike effects in the IMRI system.
Intermediate Mass Ratio Inspirals (IMRIs) will be observable with space-based gravitational wave detectors such as the Laser Interferometer Space Antenna (LISA). To this end, the environmental effects in such systems have to be modeled and understood. These effects can include (baryonic) accretion disks and dark matter (DM) overdensities, so called spikes. For the first time, we model an IMRI system with both an accretion disk and a DM spike present and compare their effects on the inspiral and the emitted gravitational wave signal. We study the eccentricity evolution, employ the braking index and derive the dephasing index, which turn out to be complementary observational signatures. They allow us to disentangle the accretion disk and DM spike effects in the IMRI system.
Hemispherical and cylindrical antenna arrays are widely used in radar-based and tomography-based microwave breast imaging systems. Based on the dielectric contrast between healthy and malignant tissue, a three-dimensional image could be formed to locate the tumor. However, conventional X-ray mammography as the golden standard in breast cancer screening produces two-dimensional breast images so that a comparison between the 3D microwave image and the 2D mammogram could be difficult. In this paper, we present the design and realisation of a UWB breast imaging prototype for the frequency band from 1 to 9 GHz. We present a refined system design in light of the clinical usage by means of a planar scanning and compare microwave images with those obtained by X-ray mammography. Microwave transmission measurements were processed to create a two-dimensional image of the breast that can be compared directly with a two-dimensional mammogram. Preliminary results from a patient study are presented and discussed showing the ability of the proposed system to locate the tumor.
In case of 4-Rod-type RFQ’s the quadrupole electrodes are excited by a series of coupled RF oscillators. As the contact planes between both electrode pairs differ, there remains an oscillating electric potential along the beam axis. This results in remarkably high longitudinal field components between the electrode ends and the RFQ tank end walls. In contrast, the electrodes of a 4-Vane RFQ are equally charged to ±|V0∕2| and only feature a quadrupole on-axis field. The entrance gap fields were investigated to serve as a longitudinal prebuncher instead of causing additional longitudinal emittance growth. The effects of the entrance gap field have been validated in beam dynamics simulations. The exit fields have to be taken into consideration for a calculation of the exact RFQ output energy.
The Δ-isobar degrees of freedom are included in the covariant density functional (CDF) theory to study the equation of state (EoS) and composition of dense matter in compact stars. In addition to Δ's we include the full octet of baryons, which allows us to study the interplay between the onset of delta isobars and hyperonic degrees of freedom. Using both the Hartree and Hartree–Fock approximation we find that Δ's appear already at densities slightly above the saturation density of nuclear matter for a wide range of the meson–Δ coupling constants. This delays the appearance of hyperons and significantly affects the gross properties of compact stars. Specifically, Δ's soften the EoS at low densities but stiffen it at high densities. This softening reduces the radius of a canonical 1.4M⊙ star by up to 2 km for a reasonably attractive Δ potential in matter, while the stiffening results in larger maximum masses of compact stars. We conclude that the hypernuclear CDF parametrizations that satisfy the 2M⊙ maximum mass constraint remain valid when Δ isobars are included, with the important consequence that the resulting stellar radii are shifted toward lower values, which is in agreement with the analysis of neutron star radii.
Changes in the efficacies of synapses are thought to be the neurobiological basis of learning and memory. The efficacy of a synapse depends on its current number of neurotransmitter receptors. Recent experiments have shown that these receptors are highly dynamic, moving back and forth between synapses on time scales of seconds and minutes. This suggests spontaneous fluctuations in synaptic efficacies and a competition of nearby synapses for available receptors. Here we propose a mathematical model of this competition of synapses for neurotransmitter receptors from a local dendritic pool. Using minimal assumptions, the model produces a fast multiplicative scaling behavior of synapses. Furthermore, the model explains a transient form of heterosynaptic plasticity and predicts that its amount is inversely related to the size of the local receptor pool. Overall, our model reveals logistical tradeoffs during the induction of synaptic plasticity due to the rapid exchange of neurotransmitter receptors between synapses.
Changes in the efficacies of synapses are thought to be the neurobiological basis of learning and memory. The efficacy of a synapse depends on its current number of neurotransmitter receptors. Recent experiments have shown that these receptors are highly dynamic, moving back and forth between synapses on time scales of seconds and minutes. This suggests spontaneous fluctuations in synaptic efficacies and a competition of nearby synapses for available receptors. Here we propose a mathematical model of this competition of synapses for neurotransmitter receptors from a local dendritic pool. Using minimal assumptions, the model produces a fast multiplicative scaling behavior of synapses. Furthermore, the model explains a transient form of heterosynaptic plasticity and predicts that its amount is inversely related to the size of the local receptor pool. Overall, our model reveals logistical tradeoffs during the induction of synaptic plasticity due to the rapid exchange of neurotransmitter receptors between synapses.
Different approaches are possible when it comes to modeling the brain. Given its biological nature, models can be constructed out of the chemical and biological building blocks known to be at play in the brain, formulating a given mechanism in terms of the basic interactions underlying it. On the other hand, the functions of the brain can be described in a more general or macroscopic way, in terms of desirable goals. This goals may include reducing metabolic costs, being stable or robust, or being efficient in computational terms. Synaptic plasticity, that is, the study of how the connections between neurons evolve in time, is no exception to this. In the following work we formulate (and study the properties of) synaptic plasticity models, employing two complementary approaches: a top-down approach, deriving a learning rule from a guiding principle for rate-encoding neurons, and a bottom-up approach, where a simple yet biophysical rule for time-dependent plasticity is constructed.
We begin this thesis with a general overview, in Chapter 1, of the properties of neurons and their connections, clarifying notations and the jargon of the field. These will be our building blocks and will also determine the constrains we need to respect when formulating our models. We will discuss the present challenges of computational neuroscience, as well as the role of physicists in this line of research.
In Chapters 2 and 3, we develop and study a local online Hebbian self-limiting synaptic plasticity rule, employing the mentioned top-down approach. Firstly, in Chapter 2 we formulate the stationarity principle of statistical learning, in terms of the Fisher information of the output probability distribution with respect to the synaptic weights. To ensure that the learning rules are formulated in terms of information locally available to a synapse, we employ the local synapse extension to the one dimensional Fisher information. Once the objective function has been defined, we derive an online synaptic plasticity rule via stochastic gradient descent.
In order to test the computational capabilities of a neuron evolving according to this rule (combined with a preexisting intrinsic plasticity rule), we perform a series of numerical experiments, training the neuron with different input distributions.
We observe that, for input distributions closely resembling a multivariate normal distribution, the neuron robustly selects the first principal component of the distribution, showing otherwise a strong preference for directions of large negative excess kurtosis.
In Chapter 3 we study the robustness of the learning rule derived in Chapter 2 with respect to variations in the neural model’s transfer function. In particular, we find an equivalent cubic form of the rule which, given its functional simplicity, permits to analytically compute the attractors (stationary solutions) of the learning procedure, as a function of the statistical moments of the input distribution. In this way, we manage to explain the numerical findings of Chapter 2 analytically, and formulate a prediction: if the neuron is selective to non-Gaussian input directions, it should be suitable for applications to independent component analysis. We close this section by showing how indeed, a neuron operating under these rules can learn the independent components in the non-linear bars problem.
A simple biophysical model for time-dependent plasticity (STDP) is developed in Chapter 4. The model is formulated in terms of two decaying traces present in the synapse, namely the fraction of activated NMDA receptors and the calcium concentration, which serve as clocks, measuring the time of pre- and postsynaptic spikes. While constructed in terms of the key biological elements thought to be involved in the process, we have kept the functional dependencies of the variables as simple as possible to allow for analytic tractability. Despite its simplicity, the model is able to reproduce several experimental results, including the typical pairwise STDP curve and triplet results, in both hippocampal culture and layer 2/3 cortical neurons. Thanks to the model’s functional simplicity, we are able to compute these results analytically, establishing a direct and transparent connection between the model’s internal parameters and the qualitative features of the results.
Finally, in order to make a connection to synaptic plasticity for rate encoding neural models, we train the synapse with Poisson uncorrelated pre- and postsynaptic spike trains and compute the expected synaptic weight change as a function of the frequencies of these spike trains. Interestingly, a Hebbian (in the rate encoding sense of the word) BCM-like behavior is recovered in this setup for hippocampal neurons, while dominating depression seems unavoidable for parameter configurations reproducing experimentally observed triplet nonlinearities in layer 2/3 cortical neurons. Potentiation can however be recovered in these neurons when correlations between pre- and postsynaptic spikes are present. We end this chapter by discussing the relation to existing experimental results, leaving open questions and predictions for future experiments.
A set of summary cards of the models employed, together with listings of the relevant variables and parameters, are presented at the end of the thesis, for easier access and permanent reference for the reader.
Based on data samples collected with the BESIII detector at the BEPCII collider, the process e+e−→Σ+Σ¯− is studied at center-of-mass energies s√ = 2.3960, 2.6454, and 2.9000~GeV. Using a fully differential angular description of the final state particles, the complete information of the Σ+ electromagnetic form factors in the time-like region is extracted. The relative phase between the electric and magnetic form factors is determined to be sinΔΦ = -0.67~±~0.29~(stat.)~±~0.18~(syst.) at s√ = 2.3960~GeV, ΔΦ = 55∘~±~19∘~(stat.) ±~14∘~(syst.) at s√ = 2.6454~GeV, and 78∘~±~22∘~(stat.) ±~9∘~(syst.) at s√ = 2.9000~GeV. For the first time, the phase of the hyperon electromagnetic form factors is explored in a wide range of four-momentum transfer. The evolution of the phase along with four-momentum transfer is an important input for understanding its asymptotic behavior and the dynamics of baryons.
Thermal leptogenesis, in the framework of the standard model with three additional heavy Majorana neutrinos, provides an attractive scenario to explain the observed baryon asymmetry in the universe. It is based on the out-of-equilibrium decay of Majorana neutrinos in a thermal bath of standard model particles, which in a fully quantum field theoretical formalism is obtained by solving Kadanoff-Baym equations. So far, the leading two-loop contributions from leptons and Higgs particles are included, but not yet gauge corrections. These enter at three-loop level but, in certain kinematical regimes, require a resummation to infinite loop order for a result to leading order in the gauge coupling. In this work, we apply such a resummation to the calculation of the lepton number density. The full result for the simplest “vanilla leptogenesis” scenario is by O(1) increased compared to that of quantum Boltzmann equations, and for the first time permits an estimate of all theoretical uncertainties. This step completes the quantum theory of leptogenesis and forms the basis for quantitative evaluations, as well as extensions to other scenarios.
We study a random matrix model for QCD at finite density via complex Langevin dynamics. This model has a phase transition to a phase with nonzero baryon density. We study the convergence of the algorithm as a function of the quark mass and the chemical potential and focus on two main observables: the baryon density and the chiral condensate. For simulations close to the chiral limit, the algorithm has wrong convergence properties when the quark mass is in the spectral domain of the Dirac operator. A possible solution of this problem is discussed.
We compute hybrid static potentials in SU(3) lattice gauge theory. We present a method to automatically generate a large set of suitable creation operators with defined quantum numbers from elementary building blocks. We show preliminary results for several channels and discuss, which structures of the gluonic flux tube seem to be realized by the ground states in these channels.
Computation of masses of quarkonium bound states using heavy quark potentials from lattice QCD
(2022)
We compute masses of bottomonium and charmonium bound states using a Schrödinger equation with a heavy quark-antiquark potential including 1/m and 1/m2 corrections previously derived in potential Non-Relativistic QCD and computed with lattice QCD. This is a preparatory step for a future project, where we plan to take into account similar corrections to study quarkonium resonances and tetraquarks above the lowest meson-meson thresholds.
We show the first results for parton distribution functions within the proton at the physical pion mass, employing the method of quasi-distributions. In particular, we present the matrix elements for the iso-vector combination of the unpolarized, helicity and transversity quasi-distributions, obtained with Nf = 2 twisted mass cloverimproved fermions and a proton boosted with momentum = 0.83 GeV. The momentum smearing technique has been applied to improve the overlap with the proton boosted state. Moreover, we present the renormalized helicity matrix elements in the RI’ scheme, following the non-perturbative renormalization prescription recently developed by our group.
Abstract
The primary immunological target of COVID-19 vaccines is the SARS-CoV-2 spike (S) protein. S is exposed on the viral surface and mediates viral entry into the host cell. To identify possible antibody binding sites, we performed multi-microsecond molecular dynamics simulations of a 4.1 million atom system containing a patch of viral membrane with four full-length, fully glycosylated and palmitoylated S proteins. By mapping steric accessibility, structural rigidity, sequence conservation, and generic antibody binding signatures, we recover known epitopes on S and reveal promising epitope candidates for structure-based vaccine design. We find that the extensive and inherently flexible glycan coat shields a surface area larger than expected from static structures, highlighting the importance of structural dynamics. The protective glycan shield and the high flexibility of its hinges give the stalk overall low epitope scores. Our computational epitope-mapping procedure is general and should thus prove useful for other viral envelope proteins whose structures have been characterized.
Author summary
The SARS-CoV-2 virus has caused a global health crisis. The spike protein exposed at its surface is key for infection and the primary antibody target. However, spike is covered by highly mobile glycan molecules that could impair antibody binding. To identify accessible epitopes, we performed molecular dynamics simulations of an atomistic model of glycosylated spike embedded in a membrane. By combining extensive simulations with bioinformatics analyses, we recovered known antibody binding sites and identified several epitope candidates as targets for further vaccine development.
Nanomaterials, i.e., materials that are manufactured at a very small spatial scale, can possess unique physical and chemical properties and exhibit novel characteristics as compared to the same material without nanoscale features. The reduction of size down to the nanometer scale leads to the abundance of potential applications in different fields of technology. For instance, tailoring the physicochemical properties of nanomaterials for modification of their interaction with a biological environment has been reflected in a number of biomedical applications.
Strategies to choose the size and the composition of nanoscale systems are often hindered by a limited understanding of interactions that are difficult to study experimentally. However, this goal can be achieved by means of advanced computer simulations. This thesis explores, from a theoretical and a computational viewpoints, stability, electronic and thermo-mechanical properties of nanoscale systems and materials which are related to biomedical applications.
We examine the ability of existing classical interatomic potentials to reproduce stability and thermo-mechanical properties of metal systems, assuming that these potentials have been fitted to describe ground-state properties of the perfect bulk materials.
It is found that existing classical interatomic potentials poorly describe highly-excited vibrational states when the system is far from the potential energy minimum. On the other hand, construction of a reliable computational model is essential for further development of nanomaterials for applications. A new interatomic potential that is able to correctly reproduce both the melting temperature and the ground-state properties of different metals, such as gold, platinum, titanium, and magnesium, by means of classical molecular dynamics simulations is proposed in this work. The suggested modification of a many-body potential has a general nature and can be utilized for similar numerical exploration of thermo-mechanical properties of a broad range of molecular and solid state systems experiencing phase transitions.
The applicability of the classical interatomic potentials to the description of nanoscale systems, consisting of several tens-hundreds of atoms, is also explored in this study. This issue is important, for instance, in the case of nanostructured materials, where grains or nanocrystals have a typical size of about a few nanometers. We validate classical potentials through the comparison with density-functional theory calculations of small
atomic clusters made of titanium and nickel. By this analysis, we demonstrate that the classical potentials fitted to describe ground-state properties of a bulk material can describe the energetics of nanoscale systems with a reasonable accuracy.
In this work, we also analyze electronic properties of nanometer-size nanoparticles made of gold, platinum, silver, and gadolinium; nanoparticles composed of these materials are of current interest for radiation therapy applications. We focus on the production of low-energy electrons, having the kinetic energy from a few electronvolts to several tens of electronvolts. It is currently established that the low-energy secondary electrons of such energies play an important role in the nanoscale mechanisms of biological damage resulting from ionizing radiation. We provide a methodology for analyzing the dynamic response of nanoparticles of the experimentally relevant sizes, namely of about several nanometers, exposed to ionizing radiation. Because of a large number of constituent atoms (about 1000 −10000 atoms) and consequently high computational costs, the electronic properties of such systems can hardly be described by means of ab initio methods based on a quantum-mechanical treatment of electrons, and this analysis should rely on model approaches. By comparing the response of smaller systems (of about 1 nm size) calculated within the ab initio- and the model framework, we validate this methodology and make predictions for the electron production in larger systems.
We have revealed that a significant increase in the number of the low-energy electrons emitted from nanometer-size noble metal nanoparticles arises from collective electron excitations formed in the systems. It is demonstrated that the dominating mechanisms of electron yield enhancement are related to the formation of plasmons excited in a whole system and of atomic giant resonances formed due to excitation of valence d electrons in individual atoms of a nanoparticle. Being embedded in a biological medium, the noble metal nanoparticles thus represent an important source of low-energy electrons, able to produce a significant irrepairable damage in biological systems.
A general methodology for studying electronic properties of nanosystems is used to make quantitative predictions for electron production by non-metal nanoparticles. The analysis illustrates that due to a prominent collective response to an external electric field, carbon nanoparticles embedded in a biological medium also enhance the production of low-energy electrons. The number of low-energy electrons emitted from carbon nanoparticles is demonstrated to be several times higher as compared to the case of liquid water.
Computational workflow optimization for magnetic fluctuation measurements of 3D nano-tetrapods
(2021)
The detailed understanding of micro–and nanoscale structures, in particular their magnetization dynamics, dominates contemporary solid–state physics studies. Most investigations already identified an abundance of phenomena in one–and two–dimensional nanostructures. The following thesis focuses on the magnetic fingerprint of three–dimensional CoFe nano–magnets, specifically the temporal development of their hysteresis loop. These nano–magnets were grown in a tetrahedral pattern on top of a highly susceptible home–build GaAs/AlGaAs micro–Hall sensor using focused electron beam induced deposition (FEBID).
During the measurements, utmost efforts were employed to exemplify current best research practices. The data life cycle of the present thesis is based upon open–source data science tools and packages. Data acquisition and analysis required self–written automated algorithms to handle the extensive quantity of data. Existing instrumental-controlling software was improved, and new Python packages were devised to analyze and visualize the gathered data. The open–source Python data analysis framework (ana) was developed to facilitate computational reproducibility. This framework transparently analyses and visualizes the gathered data automatically using Continuous Analysis tools based on GitLab and Continuous Integration. This automatization uses bespoke scripts combined with virtualization tools like Docker to facilitate reproducible and device–independent results.
The hysteresis loops reveal distinct differences in subsequently measured loops with identical initial experimental parameters, originating from the nano–magnet’s magnetic noise. This noise amplifies in regions where switching processes occur. In such noise–prone regions, the time–dependent scrutinization reveals presumably thermally induced metastable magnetization states. The frequency–dependent power spectral density uncovers a characteristic 1/f² behavior at noise–prone regions with metastable magnetization states.
An optimized design of a stellarator-type storage ring for low energy ion beams was numerically investigated. The magnetic field variation along the circumference and therefore magnetic heating is suppressed by using simple circular correction coils. Particle-in-Cell (PIC) simulations in a magnetic flux coordinate system show the ability of high current ion beam accumulation in such a configuration with unique features for clockwise and anticlockwise moving beams. Additionally scaled down experiments with two 30 degree room temperature toroidal segments were performed to demonstrate toroidal transport and to develop optical beam diagnostics. Properties of multi-component beams, redistribution of transversal momenta in the non-adiabatic part of the experimental configuration and investigation of strongly confined beam induced electron clouds will be addressed.
The β-barrel assembly machinery (BAM) consisting of the central β-barrel BamA and four other lipoproteins mediates the folding of the majority of the outer membrane proteins. BamA is placed in an asymmetric bilayer and its lateral gate is suggested to be the functional hotspot. Here we used in situ pulsed electron-electron double resonance spectroscopy to characterize BamA in the native outer membrane. In the detergent micelles, the data is consistent with mainly an inward-open conformation of BamA. The native membrane considerably enhanced the conformational heterogeneity. The lateral gate and the extracellular loop 3 exist in an equilibrium between different conformations. The outer membrane provides a favorable environment for occupying multiple conformational states independent of the lipoproteins. Our results reveal a highly dynamic behavior of the lateral gate and other key structural elements and provide direct evidence for the conformational modulation of a membrane protein in situ.
We construct net baryon number and strangeness susceptibilities as well as correlations between electric charge, strangeness and baryon number from experimental data at midrapidity of the ALICE Collaboration at CERN. The data were taken in central Pb–Pb collisions at sNN=2.76 TeV and cover one unit of rapidity. The resulting fluctuations and correlations are consistent with Lattice QCD results at the chiral crossover pseudocritical temperature Tc≃155 MeV. This agreement lends strong support to the assumption that the fireball created in these collisions is of thermal origin and exhibits characteristic properties expected in QCD at the transition from the quark gluon plasma to the hadronic phase. The volume of the fireball for one unit of rapidity at Tc is found to exceed 3000 fm3. A detailed discussion on uncertainties in the temperature and volume of the fireball is presented. The results are linked to pion interferometry measurements and predictions from percolation theory.
We derive the relation between cumulants of a conserved charge measured in a subvolume of a thermal system and the corresponding grand-canonical susceptibilities, taking into account exact global conservation of that charge. The derivation is presented for an arbitrary equation of state, with the assumption that the subvolume is sufficiently large to be close to the thermodynamic limit. Our framework – the subensemble acceptance method (SAM) – quantifies the effect of global conservation laws and is an important step toward a direct comparison between cumulants of conserved charges measured in central heavy ion collisions and theoretical calculations of grand-canonical susceptibilities, such as lattice QCD. As an example, we apply our formalism to net-baryon fluctuations at vanishing baryon chemical potentials as encountered in collisions at the LHC and RHIC.
In this paper we discuss to what extent one can infer details of the interior structure of a black hole based on its horizon. Recalling that black hole thermal properties are connected to the non-classical nature of gravity, we circumvent the restrictions of the no-hair theorem by postulating that the black hole interior is singularity free due to violations of the usual energy conditions. Further these conditions allow one to establish a one-to-one, holographic projection between Planckian areal “bits” on the horizon and “voxels”, representing the gravitational degrees of freedom in the black hole interior. We illustrate the repercussions of this idea by discussing an example of the black hole interior consisting of a de Sitter core postulated to arise from the local graviton quantum vacuum energy. It is shown that the black hole entropy can emerge as the statistical entropy of a gas of voxels.
According to a proposal by 't Hooft, information loss introduced by constraints in certain classical dissipative systems may lead to quantization. This scheme can be realized within the Bateman model of two coupled oscillators, one damped and one accelerated. In this paper we analyze the links of this approach to effective Hamiltonians where the environmental degrees of freedom do not appear explicitly but their effect leads to the same friction force appearing in the Bateman model. In particular, it is shown that by imposing constraints, the Bateman Hamiltonian can be transformed into an effective one expressed in expanding coordinates. This one can be transformed via a canonical transformation into Caldirola and Kanai's effective Hamiltonian that can be linked to the conventional system-plus-reservoir approach, for example, in a form used by Caldeira and Leggett.
Consequences of minimal length discretization on line element, metric tensor, and geodesic equation
(2021)
When minimal length uncertainty emerging from a generalized uncertainty principle (GUP) is thoughtfully implemented, it is of great interest to consider its impacts on gravitational Einstein field equations (gEFEs) and to try to assess consequential modifications in metric manifesting properties of quantum geometry due to quantum gravity. GUP takes into account the gravitational impacts on the noncommutation relations of length (distance) and momentum operators or time and energy operators and so on. On the other hand, gEFE relates classical geometry or general relativity gravity to the energy–momentum tensors, that is, proposing quantum equations of state. Despite the technical difficulties, we intend to insert GUP into the metric tensor so that the line element and the geodesic equation in flat and curved space are accordingly modified. The latter apparently encompasses acceleration, jerk, and snap (jounce) of a particle in the quasi-quantized gravitational field. Finite higher orders of acceleration apparently manifest phenomena such as accelerating expansion and transitions between different radii of curvature and so on.
We study the correlation between the distributions of the net-charge, net-kaon, net-baryon and net-proton number at hadronization and after the final hadronic decoupling by simulating ultra relativistic heavy ion collisions with the hybrid version of the ultrarelativistic quantum molecular dynamics (UrQMD) model. We find that due to the hadronic rescattering these distributions are not strongly correlated. The calculated change of the correlation, during the hadronic expansion stage, does not support the recent paradigm, namely that the measured final moments of the experimentally observed distributions do give directly the values of those distributions at earlier times, when the system had been closer to the QCD crossover.
In this work the baryon number and strange susceptibility of second and fourth order are presented. The results at zero baryon-chemical potential are obtained using a well tested chiral effective model including all known hadron degrees of freedom and additionally implementing quarks and gluons in a PNJL-like approach. Quark and baryon number susceptibilities are sensitive to the fundamental degrees of freedom in the model and signal the shift from massive hadrons to light quarks at the deconfinement transition by a sharp rise at the critical temperature. Furthermore, all susceptibilities are found to be largely suppressed by repulsive vector field interactions of the particles. In the hadronic sector vector repulsion of baryon resonances restrains fluctuations to a large amount and in the quark sector above Tc even small vector field interactions of quarks quench all fluctuations unreasonably strong. For this reason, vector field interactions for quarks have to vanish in the deconfinement limit.
We investigate the ratios βη≡η/τπ and βζ≡ζ/τΠ, i.e., the ratios of shear, η, and bulk, ζ, viscosities to the relaxation times τπ, τΠ of the shear stress tensor and bulk viscous pressure, respectively, in the framework of causal relativistic dissipative fluid dynamics. These viscous transport coefficients are computed both in a field-theoretical and a kinetic approach based on the Boltzmann equation. Our results differ from those of the traditional Boltzmann calculation by Israel and Stewart. The new expressions for the viscous transport coefficients agree with the results obtained in the field-theoretical approach when the contributions from pair annihilation and creation (PAC) are neglected. The latter induce non-negligible corrections to the viscous transport coefficients.
Ion optical calculations for a storage ring at the present GSI facility for direct proton-induced reactions relevant for different astrophysical processes are presented. As an example case, the 59Cu(p,γ) and 59Cu(p,α) reactions are shown. The branching of these two reactions is important in X-ray burst scenarios, since it determines the breakout out of the major 56Ni waiting point.
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.
Supermassive black hole binaries (SMBHBs) are among the most powerful known sources of gravitational waves (GWs). Accordingly, these systems could dominate the stochastic gravitational wave background (GWB) in the micro- and millihertz frequency range. The time until the merger of two SMBHs in the nucleus of a galaxy can be shortened through dynamical friction due to the presence of dark matter (DM) spikes around the SMBHs. To calculate the orbital evolution of individual SMBHBs within the Newtonian approximation, the SMBHBpy code is developed. This work confirms that the GW signals from SMBHBs with DM spikes can be clearly distinguished from those without any matter. Making use of the upper limit on the characteristic strain of the GWB derived from the data of the Cassini spacecraft mission in 2001/2002, a lower limit on the matter density around SMBHBs is derived in this study. The result is subsequently compared with the theoretical density profiles for cold dark matter and self-interacting dark matter spikes.
The production of prompt Λ+c baryons at midrapidity (|y|<0.5) was measured in central (0-10%) and mid-central (30-50%) Pb-Pb collisions at the center-of-mass energy per nucleon-nucleon pair sNN−−−√=5.02 TeV with the ALICE detector. The Λ+c production yield, the Λ+c/D0 production ratio, and the Λ+c nuclear modification factor RAA are reported. The results are more precise and more differential in transverse momentum (pT) and centrality with respect to previous measurements. The Λ+c/D0 ratio, which is enhanced with respect to the pp measurement for 4<pT<8 GeV/c, is described by theoretical calculations that model the charm-quark transport in the quark-gluon plasma and include hadronization via both coalescence and fragmentation mechanisms.
The production of prompt Λ+c baryons at midrapidity (|y|<0.5) was measured in central (0-10%) and mid-central (30-50%) Pb-Pb collisions at the center-of-mass energy per nucleon-nucleon pair sNN−−−√=5.02 TeV with the ALICE detector. The results are more precise, more differential in centrality, and reach much lower transverse momentum (pT=1 GeV/c) with respect to previous measurements performed by the ALICE, STAR, and CMS Collaborations in nucleus-nucleus collisions, allowing for an extrapolation down to pT=0. The pT-differential Λ+c/D0 production ratio is enhanced with respect to the pp measurement for 4<pT<8 GeV/c by 3.7 standard deviations (σ), while the pT-integrated ratios are compatible within 1σ. The observed trend is similar to that observed in the strange sector for the Λ/K0S ratio. Model calculations including coalescence or statistical hadronization for charm-hadron formation are compared with the data.
The production of prompt Λc+ baryons at midrapidity (|y|<0.5) was measured in central (0–10%) and mid-central (30–50%) Pb–Pb collisions at the center-of-mass energy per nucleon–nucleon pair √sNN=5.02 TeV with the ALICE detector. The results are more precise, more differential in centrality, and reach much lower transverse momentum (pT=1 GeV/c) with respect to previous measurements performed by the ALICE, STAR, and CMS Collaborations in nucleus–nucleus collisions, allowing for an extrapolation down to pT=0. The pT-differential Λc+/D0 ratio is enhanced with respect to the pp measurement for 4<pT<8 GeV/c by 3.7 standard deviations (σ), while the pT-integrated ratios are compatible within 1σ. The observed trend is similar to that observed in the strange sector for the Λ/KS0 ratio. Model calculations including coalescence or statistical hadronization for charm-hadron formation are compared with the data.
We present a simultaneous calculation of heavy single-Λ hypernuclei and compact stars containing hypernuclear core within a relativistic density functional theory based on a Lagrangian which includes the hyperon octet and lightest isoscalar-isovector mesons which couple to baryons with density-dependent couplings. The corresponding density functional allows for SU(6) symmetry breaking and mixing in the isoscalar sector, whereby the departures in the σ–Λ and σ–Σ couplings away from their values implied by the SU(3) symmetric model are used to adjust the theory to the laboratory and astronomical data. We fix σ–Λ coupling using the data on the single-Λ hypernuclei and derive an upper bound on the σ–Σ from the requirement that the lower bound on the maximum mass of a compact star is 2M⊙.
Systematic studies of charge-dependent two- and three-particle correlations in Pb-Pb collisions at sNN−−−√ = 2.76 and 5.02 TeV used to probe the Chiral Magnetic Effect (CME) are presented. These measurements are performed for charged particles in the pseudorapidity (η) and transverse momentum (pT) ranges |η| < 0.8 and 0.2 < pT < 5 GeV/c. A significant charge-dependent signal that becomes more pronounced for peripheral collisions is reported for the CME-sensitive correlators γ1, 1 = 〈cos(φα + φβ − 2Ψ2)〉 and γ1, − 3 = 〈cos(φα − 3φβ + 2Ψ2)〉. The results are used to estimate the contribution of background effects, associated with local charge conservation coupled to anisotropic flow modulations, to measurements of the CME. A blast-wave parametrisation that incorporates local charge conservation tuned to reproduce the centrality dependent background effects is not able to fully describe the measured γ1,1. Finally, the charge and centrality dependence of mixed-harmonics three-particle correlations, of the form γ1, 2 = 〈cos(φα + 2φβ − 3Ψ3)〉, which are insensitive to the CME signal, verify again that background contributions dominate the measurement of γ1,1.
Systematic studies of charge-dependent two- and three-particle correlations in Pb-Pb collisions at sNN−−−√= 2.76 and 5.02 TeV used to probe the Chiral Magnetic Effect (CME) are presented. These measurements are performed for charged particles in the pseudorapidity (η) and transverse momentum (pT) ranges |η|<0.8 and 0.2<pT<5 GeV/c. A significant charge-dependent signal that becomes more pronounced for peripheral collisions is reported for the CME-sensitive correlators γ1,1=⟨cos(φα+φβ−2Ψ2)⟩ and γ1,−3=⟨cos(φα−3φβ+2Ψ2)⟩. The results are used to estimate the contribution of background effects, associated with local charge conservation coupled to anisotropic flow modulations, to measurements of the CME. A blast-wave parametrisation that incorporates local charge conservation tuned to reproduce the centrality dependent background effects is not able to fully describe the measured γ1,1. Finally, the charge and centrality dependence of mixed-harmonics three-particle correlations, of the form γ1,2=⟨cos(φα+2φβ−3Ψ3)⟩, which are insensitive to the CME signal, verify again that background contributions dominate the measurement of γ1,1.
Systematic studies of charge-dependent two- and three-particle correlations in Pb-Pb collisions at sNN−−−√= 2.76 and 5.02 TeV used to probe the Chiral Magnetic Effect (CME) are presented. These measurements are performed for charged particles in the pseudorapidity (η) and transverse momentum (pT) ranges |η|<0.8 and 0.2<pT<5 GeV/c. A significant charge-dependent signal that becomes more pronounced for peripheral collisions is reported for the CME-sensitive correlators γ1,1=⟨cos(φα+φβ−2Ψ2)⟩ and γ1,−3=⟨cos(φα−3φβ+2Ψ2)⟩. The results are used to estimate the contribution of background effects, associated with local charge conservation coupled to anisotropic flow modulations, to measurements of the CME. A blast-wave parametrisation that incorporates local charge conservation tuned to reproduce the centrality dependent background effects is not able to fully describe the measured γ1,1. Finally, the charge and centrality dependence of mixed-harmonics three-particle correlations, of the form γ1,2=⟨cos(φα+2φβ−3Ψ3)⟩, which are insensitive to the CME signal, verify again that background contributions dominate the measurement of γ1,1.
We present three-particle mixed-harmonic correlations 〈cos(mφa + nφb − (m + n)φc )〉 for harmonics m, n = 1 − 3 for charged particles in √sN N = 200 GeV Au+Au collisions at RHIC. These measurements provide information on the three-dimensional structure of the initial collision zone and are important for constraining models of a subsequent low-viscosity quark–gluon plasma expansion phase. We investigate correlations between the first, second and third harmonics predicted as a consequence of fluctuations in the initial state. The dependence of the correlations on the pseudorapidity separation between particles show hints of a breaking of longitudinal invariance. We compare our results to a number of state-of-the art hydrodynamic calculations with different initial states and temperature dependent viscosities. These measurements provide important steps towards constraining the temperature dependent viscosity and longitudinal structure of the initial state at RHIC.
The interaction of K− with protons is characterised by the presence of several coupled channels, systems like K¯¯¯¯0n and πΣ with a similar mass and the same quantum numbers as the K−p state. The strengths of these couplings to the K−p system are of crucial importance for the understanding of the nature of the Λ(1405) resonance and of the attractive K−p strong interaction. In this article, we present measurements of the K−p correlation functions in relative momentum space obtained in pp collisions at s√ = 13 TeV, in p-Pb collisions at sNN−−−√ = 5.02 TeV, and (semi)peripheral Pb-Pb collisions at sNN−−−√ = 5.02 TeV. The emitting source size, composed of a core radius anchored to the K+p correlation and of a resonance halo specific to each particle pair, varies between 1 and 2 fm in these collision systems. The strength and the effects of the K¯¯¯¯0n and πΣ inelastic channels on the measured K−p correlation function are investigated in the different colliding systems by comparing the data with state-of-the-art models of chiral potentials. A novel approach to determine the conversion weights ω, necessary to quantify the amount of produced inelastic channels in the correlation function, is presented. In this method, particle yields are estimated from thermal model predictions, and their kinematic distribution from blast-wave fits to measured data. The comparison of chiral potentials to the measured K−p interaction indicates that, while the πΣ−K−p dynamics is well reproduced by the model, the coupling to the K¯¯¯¯0n channel in the model is currently underestimated.