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Proton-powered c-ring rotation in mitochondrial ATP synthase is crucial to convert the transmembrane protonmotive force into torque to drive the synthesis of ATP. Capitalizing on recent cryo-EM structures, we aim at a structural and energetic understanding of how functional directional rotation is achieved. We performed multi-microsecond atomistic simulations to determine the free energy profiles along the c-ring rotation angle before and after the arrival of a new proton. Our results reveal that rotation proceeds by dynamic sliding of the ring over the a-subunit surface, during which interactions with conserved polar residues stabilize distinct intermediates. Ordered water chains line up for a Grotthuss-type proton transfer in one of these intermediates. After proton transfer, a high barrier prevents backward rotation and an overall drop in free energy favors forward rotation, ensuring the directionality of c-ring rotation required for the thermodynamically disfavored ATP synthesis. The essential arginine of the a-subunit stabilizes the rotated configuration through a salt-bridge with the c-ring. Overall, we describe a complete mechanism for the rotation step of the ATP synthase rotor, thereby illuminating a process critical to all life at atomic resolution.
The most precise measurements to date of the 3ΛH lifetime τ and Λ separation energy BΛ are obtained using the data sample of Pb-Pb collisions at √sNN = 5.02 TeV collected by ALICE at the LHC. The 3ΛH is reconstructed via its charged two-body mesonic decay channel (3ΛH → 3He + π− and the charge-conjugate process). The measured values τ = [253 ± 11 (stat) ± 6 (syst)] ps and BΛ = [102 ± 63 (stat) ± 67 (syst)] keV are compatible with predictions from effective field theories and confirm that the 3ΛH structure is consistent with a weakly bound system.
Proton-powered c-ring rotation in mitochondrial ATP synthase is crucial to convert the transmembrane protonmotive force into torque to drive the synthesis of ATP. Capitalizing on recent cryo-EM structures, we aim at a structural and energetic understanding of how functional directional rotation is achieved. We performed multi-microsecond atomistic simulations to determine the free energy profiles along the c-ring rotation angle before and after the arrival of a new proton. Our results reveal that rotation proceeds by dynamic sliding of the ring over the a-subunit surface, during which interactions with conserved polar residues stabilize distinct intermediates. Ordered water chains line up for a Grotthuss-type proton transfer in one of these intermediates. After proton transfer, a high barrier prevents backward rotation and an overall drop in free energy favors forward rotation, ensuring the directionality of c-ring rotation required for the thermodynamically disfavored ATP synthesis. The essential arginine of the a-subunit stabilizes the rotated configuration through a salt-bridge with the c-ring. Overall, we describe a complete mechanism for the rotation step of the ATP synthase rotor, thereby illuminating a process critical to all life at atomic resolution.
Artificial intelligence in heavy-ion collisions : bridging the gap between theory and experiments
(2023)
Artificial Intelligence (AI) methods are employed to study heavy-ion collisions at intermediate collision energies, where high baryon density and moderate temperature QCD matter is produced. The experimental measurements of various conventional observables such as collective flow, particle number fluctuations, etc. are usually compared with expensive model calculations to infer the physics governing the evolution of the matter produced in the collisions. Various experimental effects and processing algorithms can greatly affect the sensitivity of these observables. AI methods are used to bridge this gap between theory and experiments of heavy-ion collisions. The problems with conventional methods of analyzing experimental data are illustrated in a comparative study of the Glauber MC model and the UrQMD transport model. It is found that the centrality determination and the estimated fluctuations of the number of participant nucleons suffer from strong model dependencies for Au-Au collisions at 1.23 AGeV. This can bias the results of the experimental analysis if the number of participant nucleons used is not consistent throughout the analysis and in the final model-to-data comparison. The measurable consequences of this model dependence of the number of participant nucleons are also discussed. In this context, PointNet-based AI models are developed to accurately reconstruct the impact parameter or the number of participant nucleons in a collision event from the hits and/or reconstructed track of particles in 10 AGeV Au-Au collisions at the CBM experiment. In the last part of the thesis, different AI methods to study the equation of state (EoS) at high baryon densities are discussed. First, a Bayesian inference is performed to constrain the density dependence of the EoS from the available experimental measurements of elliptical flow and mean transverse kinetic energy of mid rapidity protons in intermediate energy collisions. The UrQMD model was augmented to include arbitrary potentials (or equivalently the EoSs) in the QMD part to provide a consistent treatment of the EoS throughout the evolution of the system. The experimental data constrain the posterior constructed for the EoS for densities up to four times saturation density. However, beyond three times saturation density, the shape of the posterior depends on the choice of observables used. There is a tension in the measurements at a collision energy of about 4 GeV. This could indicate large uncertainties in the measurements, or alternatively the inability of the underlying model to describe the observables with a given input EoS. Tighter constraints and fully conclusive statements on the EoS require accurate, high statistics data in the whole beam energy range of 2-10 GeV, which will hopefully be provided by the beam energy scan programme of STAR-FXT at RHIC, the upcoming CBM experiment at FAIR, and future experiments at HIAF and NICA. Finally, it is shown that the PointNet-based models can also be used to identify the equation of state in the CBM experiment. Despite the uncertainties due to limited detector acceptance and biases in the reconstruction algorithms, the PointNet-based models are able to learn the features that can accurately identify the underlying physics of the collision. The PointNet-based models are an ideal AI tool to study heavy-ion collisions, not only to identify the geometric event features, such as the impact parameter or the number of participant nucleons, but also to extract abstract physical features, such as the EoS, directly from the detector outputs.
A synchrotron is a particular type of cyclic particle accelerator and the first accelerator concept to enable the construction of large-scale facilities [10], such as the largest particle accelerator in the world, the 27-kilometre-circumference Large Hadron Collider (LHC) by CERN near Geneva, Switzerland, the European Synchrotron Radiation Facility (ESRF) in Grenoble, France for the synchrotron radiation, the superconducting, heavy ion synchrotron SIS100 under construction for the FAIR facility at GSI, Darmstadt, Germany and so on. Unlike a cyclotron, which can accelerate particles starting at low kinetic energy, a synchrotron needs a pre-acceleration facility to accelerate particles to an appropriate initial value before synchrotron injection. A pre-acceleration can be realized by a chain of other accelerator structures like a linac, a microtron in case of electrons, for example, Proton and ion injectors Linac 4 and Linac 3 for the LHC, UNLAC as the injector for the SIS18 in GSI and in future the SIS18 as injector for the SIS100. The linac is a commonly used injector for the ion synchrotron and consists of some key components. The three main parts of a linac are: An ion source creating the particles, a buncher system or an RFQ followed by the main drift tube accelerator DTL. In order to meet the energy and the beam current requirement of a synchrotron injector linac, its cost is a remarkable percentage of the total facility costs.
However, the normal conducting linac operation at cryogenic temperatures can be a promising solution in improving the efficiency and reducing the costs of a linac. Synchrotron injectors operate at very low duty factor with beam pulse lengths in 1 micros to 100 micros range, as most of the time is needed to perform the synchrotron cycle. Superconducting linacs are not convenient, as they cannot efficiently operate at low duty factor and high beam currents.
The cryogenic operation of ion linacs is discussed and investigated at IAP in Frankfurt since around 2012 [1, 37]. The motivation was to develop very compact synchrotron injectors at reduced overall linac costs per MV of acceleration voltage. As the needed beam currents for new facilities are increasing as well, the new technology will also allow an efficient realization of higher injector linac energies, which is needed in that case. Operating normal conducting structures at cryogenic temperature exploits the significantly higher conductivity of copper at temperatures of liquid nitrogen and below. On the other hand, the anomalous skin effect reduces the gain in shunt impedance quite a bit[25, 31, 9]. Some intense studies and experiments were performed recently, which are encouraging with respect to increased field levels at linac operation temperatures between 30 K and 70 K [17, 24, 4, 23, 5, 8]. While these studies are motivated by applications in electron acceleration at GHz-frequencies, the aim of this paper is to find applications in the 100 to 700 MHz range, typical for proton and ion acceleration. At these frequencies, a higher impact in saving RF power is expected due to the larger skin depth, which is proportional to the frequency to the power of negative half with respect to the normal skin effect. On the other hand, it is assumed that the improvement in maximum surface field levels will be similar to what was demonstrated already for electron accelerator cavities. This should allow to find a good compromise between reduced RF power needs for achieving a given accelerator voltage and a reduced total linac length to save building costs.
A very important point is the temperature stability of the cavity surface during the RF pulse. This is of increasing importance the lower the operating temperature is chosen: the temperature dependence of the electric conductivity in copper gets rather strong below 80 K, as long as the RRR - value of the copper is adequate. It is very clear, that this technology is suited for low duty cycle operated cavities only - with RF pulse lengths below one millisecond. At longer pulses the cavity surface will be heated within the pulse to temperatures, where the conductivity advantage is reduced substantially. These conditions fit very well to synchrotron injectors or to pulsed beam power applications.
H – Mode structures of the IH – and of the CH – type are well-known to have rather small cavity diameters at a given operating frequency. Moreover, they can achieve effective acceleration voltage gains above 10 MV/m even at low beam energies, and already at room temperature operation[29]. With the new techniques of 3d – printing of stainless steel and copper components one can reduce cavity sizes even further – making the realization of complex cooling channels much easier.
Another topic are copper components in superconducting cavities – like power couplers. It is of great importance to know exactly the thermal losses at these surfaces, which can’t be cooled efficiently in an easy way.
In the last twenty years, a variety of unexpected resonances had been observed within the charmonium mass region. Although the existence of unconventional states has been predicted by the quantum chromodynamics (QCD), a quantum field theory describing the strong force, a clear evidence was missing. The Y(4260) is such an unexpected and supernummerary state, first observed at BaBar in 2005, and aroused great interest, because it couples much stronger to hidden charm decays (charm-anticharm states like J/Psi or h_c) instead of open charm decays (D meson pairs). This is unusual for states with masses above the D anti-D threshold. Furthermore, it decays into a charged exotic state Y(4260)->Z_c(3900)^+- pi^-+. The charge of the Z_c(3900)^+- is an indication that it comprises of two more quarks than the charm-anticharm pair, and could therefore be assumed to be a four-quark state. Due to these still not understood properties of these QCD-allowed states, they are referred to as exotic XYZ states to emphasize their particularity.
In 2017, the collaboration of the Beijing Spectrometer III (BESIII) investigated the production reaction of the Y(4260) resonance based on a high-luminosity data set. This significantly improved precision of the measurement of the cross-section sigma(e+e- -> J/Psi pi^+ pi^-) permitted a resolution into two resonances, the Y(4230) and the Y(4360). The Z_c(3900)^+- had been discovered by the BESIII collaboration in 2013, thus this experiment at the Beijing Electron-Positron Collider II (BEPCII) is a top-performing facililty to study exotic charmonium-like states.
In this work, an inclusive reconstruction of the strange hyperon Lambda in the charmonium mass region is performed to study possible decays of Y states in order to provide further insight into their nature. Finding more states or new decay channels may provide crucial hints to understand the strong interaction beyond nonperturbative approaches.
Three resonances are observed in the energy dependent cross-section: the first with a mass of (4222.01 +- 5.68) MeV and a width of (154.26 +- 28.16) MeV, the second with a mass of (4358.88 +- 4.97) MeV and a width of (49.58 +- 13.54) MeV and the third with a mass of (4416.41 +- 2.37) MeV and a width of (23.88 +- 7.18) MeV. These resonances, with a statistical significance Z > 5sigma, can be interpreted as the states Y(4230), Y(4360) and psi(4415).
Additionally, a proton momentum-dependent analysis strategy has been used in terms of the inclusiveness of the reconstruction and to address the momentum discrepancies between generic MC and measured data.
This work focuses on the investigation of K+, K- and ϕ-meson production in Ag(1.58 A GeV)+Ag collisions. The energetically cheapest channel for direct K+ production in binary NN-collisions NN→NΛK+ lies at exactly this energy. For the remaining K- and ϕ-mesons, an excess energy of 0.31 GeV and 0.34 GeV in the centre of mass system has to be provided by the system. This makes these particles an excellent probe for effects inside the medium.
K+ and K- mesons can be reconstructed directly as they possess a cτ of approximately 3.7 m. Using the approximately 3 billion recorded Ag(1.58 A GeV)+Ag 0-30% most central collision events, all reconstructed K+ and K- within the detector acceptance are investigated for their kinematic properties and their particle production rates compared to a selection of existing models.
Cryo-electron tomography (CryoET) resolves individual macromolecules inside living cells. However, the complex composition and high density of cells challenge the faithful identification of features in tomograms. Here, we capitalize on recent advances in electron tomography and demonstrate that 3D template matching (TM) localizes a wide range of structures inside crowded eukaryotic cells with confidence 10 to 100-fold above the noise level. We establish a TM pipeline with systematically tuned parameters for automated, objective and comprehensive feature identification. High-fidelity and high-confidence localizations of nuclear pore complexes, vaults, ribosomes, proteasomes, lipid membranes and microtubules, and individual subunits, demonstrate that TM is generic. We resolve ~100-kDa proteins, connect the functional states of complexes to their cellular localization, and capture vaults carrying ribosomal cargo in situ. By capturing individual molecular events inside living cells with defined statistical confidence, high-confidence TM greatly speeds up the CryoET workflow and sets the stage for visual proteomics.
This article summarizes some of the current theoretical developments and the experimental status of hypernuclei in relativistic heavy-ion collisions and elementary collisions. In particular, the most recent results of hyperhydrogen of mass A = 3 and 4 are discussed. The highlight at SQM2022 in this perspective was the discovery of the anti-hyperhydrogen-4 by the STAR Collaboration, in a large data set consisting of different collision systems. Furthermore, the production yields of hyperhydrogen-4 and hyperhelium-4 from the STAR Collaboration can be described nicely by the thermal model when the excited states of these hypernuclei are taken into account. In contrast, the production measurements in small systems (pp and p–Pb) from the ALICE Collaboration tends to favour the coalescence model over the thermal description. New measurements from STAR, ALICE and HADES Collaborations of the properties, e.g. lifetime, of A = 3 and 4 hypernuclei give similar results of these properties. Also the anti-hyperhydrogen-4 lifetime is in rather good agreement with previous measurements. Interestingly, the new STAR measurement on the R3 value, that is connected to the branching ratio, points to a Λ separation energy that is below 100 keV but definitely consistent with the value of 130 keV assumed since the 70s.
We show examples of the impact of the Maxwellian averaged capture cross sections determined at n_TOF over the past 20 years on AGB stellar nucleosynthesis models. In particular, we developed an automated procedure to derive MACSs from evaluated data libraries, which are subsequently used as input to stellar models computed by means of the FuNS code. In this contribution, we present a number of s-process abundances obtained using different data libraries as input to stellar models, with a focus on the role of n_TOF data.