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The molecular particle-core model is applied to the scattering of 13C on 13C. The model divides the 13C+ 13C system into two 12C cores and two valence neutrons. The valence neutrons are described with molecular eigenfunctions of the symmetric two-center shell model. Coupled channel calculations are carried out for the inelastic single and mutual excitation of the first (1/2+ state of 13C and the neutron transfer to the 12C+14C system. The results reproduce the experimental data. The analysis of the S matrix shows that the gross structure of the transfer excitation function is related to resonances in the relative motion of the elastic and transfer channels.
For the scattering of 28Si on 28Si coupled channel calculations of the elastic scattering and inelastic single excitation of the first 2+ state of 28Si are carried out. The real coupling potentials are calculated in the framework of an adiabatic model. The resulting cross sections reveal structures in agreement with the observed ones and support their interpretation as nuclear molecular resonances.
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.
The absolute-scale electronic energetics of liquid water and aqueous solutions, both in the bulk and at associated interfaces, are the central determiners of water-based chemistry. However, such information is generally experimentally inaccessible. Here we demonstrate that a refined implementation of the liquid microjet photoelectron spectroscopy (PES) technique can be adopted to address this. Implementing concepts from condensed matter physics, we establish novel all-liquid-phase vacuum and equilibrated solution–metal-electrode Fermi level referencing procedures. This enables the precise and accurate determination of previously elusive water solvent and solute vertical ionization energies, VIEs. Notably, this includes quantification of solute-induced perturbations of water's electronic energetics and VIE definition on an absolute and universal chemical potential scale. Defining and applying these procedures over a broad range of ionization energies, we accurately and respectively determine the VIE and oxidative stability of liquid water as 11.33 ± 0.03 eV and 6.60 ± 0.08 eV with respect to its liquid-vacuum-interface potential and Fermi level. Combining our referencing schemes, we accurately determine the work function of liquid water as 4.73 ± 0.09 eV. Further, applying our novel approach to a pair of exemplary aqueous solutions, we extract absolute VIEs of aqueous iodide anions, reaffirm the robustness of liquid water's electronic structure to high bulk salt concentrations (2 M sodium iodide), and quantify reference-level dependent reductions of water's VIE and a 0.48 ± 0.13 eV contraction of the solution's work function upon partial hydration of a known surfactant (25 mM tetrabutylammonium iodide). Our combined experimental accomplishments mark a major advance in our ability to quantify electronic–structure interactions and chemical reactivity in liquid water, which now explicitly extends to the measurement of absolute-scale bulk and interfacial solution energetics, including those of relevance to aqueous electrochemical processes.
Motivated by a recent finding of an exact solution of the relativistic Boltzmann equation in a Friedmann–Robertson–Walker spacetime, we implement this metric into the newly developed transport approach Simulating Many Accelerated Strongly-interacting Hadrons (SMASH). We study the numerical solution of the transport equation and compare it to this exact solution for massless particles. We also compare a different initial condition, for which the transport equation can be independently solved numerically. Very nice agreement is observed in both cases. Having passed these checks for the SMASH code, we study a gas of massive particles within the same spacetime, where the particle decoupling is forced by the Hubble expansion. In this simple scenario we present an analysis of the freeze-out times, as function of the masses and cross sections of the particles. The results might be of interest for their potential application to relativistic heavy-ion collisions, for the characterization of the freeze-out process in terms of hadron properties.
The relativistic method of moments is one of the most successful approaches to extract second order viscous hydrodynamics from a kinetic underlying background. The equations can be systematically improved to higher order, and they have already shown a fast convergence to the kinetic results. In order to generalize the method we introduced long range effects in the form of effective (medium dependent) masses and gauge (coherent) fields. The most straightforward generalization of the hydrodynamic expansion is problematic at higher order. Instead of introducing an additional set of approximations, we propose to rewrite the series in terms of moments resumming the contributions of infinite non-hydrodynamics modes. The resulting equations are are consistent with hydrodynamics and well defined at all order. We tested the new approximation against the exact solutions of the Maxwell-Boltzmann-Vlasov equations in (0 + 1)-dimensions, finding a fast and stable convergence to the exact results.
Higher-order effects are calculated in the framework of the eigenchannel theory for elastic and inelastic electron-nucleus scattering in the energy region 100≤E≤250 MeV. A dispersion effect of about 12% is found for the elastic scattering on Ni58 at a momentum transfer q≈500 MeV/c. For inelastic scattering, the reorientation effect is discussed, in addition to the dispersion effect. The total higher-order effect changes the form factor for a hindered first-order transition by 50% at its minima. Furthermore, the dependence of the higher-order effects on the transition potentials of the virtual excitations, the model dependence, and the dependence on the energy E of the electron and the momentum transfer q are discussed. A closed formula for the S matrix is developed by calculating the eigenchannels in stationary perturbation theory.
The ALICE Collaboration is collecting data with both Minimum Bias and Muon triggers with pp collisions at √s = 13 TeV in the ongoing LHC Run II. An excellent performance of tracking and PID in the central barrel and in the muon spectrometer has been obtained. First results on the charged-particle pseudorapidity density and on identified particle transverse momentum spectra at √s = 13 TeV is presented.
ALICE is the dedicated heavy-ion experiment at the Large Hadron Collider at CERN. After a two-year long shutdown, the LHC restarted its physics programme in June 2015 with proton-proton collisions at √s = 13 TeV and Pb-Pb collisions at √sNN = 5.02 TeV, the highest centre-of-mass energy ever reached in laboratory. Recent results and future perspective for ALICE will be presented.
Measurements of the transverse momentum spectra of light flavor particles at intermediate and high pT are an important tool for QCD studies. In pp collisions they provide a baseline for perturbative QCD, while in Pb–Pb they are used to investigate the suppression caused by the surrounding medium. In p–Pb collisions, such measurements provide a reference to disentangle final from initial state effects and thus play an important role in the search for signatures of the formation of a deconfined hot medium. While the comparison of the p–Pb and Pb–Pb data indicates that initial state effects do not play a role in the suppression of hadron production observed at high pT in heavy ion collisions, several measurements of particle production in the low and intermediate pT region indicate the presence of collective effects.
We discuss the behavior of dynamically-generated charmed baryonic resonances in matter within a unitarized coupled-channel model consistent with heavy-quark spin symmetry. We analyze the implications for the formation of D-meson bound states in nuclei and the propagation of D mesons in heavy-ion collisions from RHIC to FAIR energies.
The properties of strange pseudoscalar and vectors mesons as well as strange baryon resonances in dense matter are reviewed. Some open questions on the properties of strange hadrons in medium are addressed, such as the experimental signatures of inmedium effects coming from the hadronic phase on the final observables in heavy-ion collisions for the experimental conditions at SIS, RHIC and LHC energies.
The kaon nuclear optical potential is studied including the effect of the Θ+ pentaquark. The one-nucleon contribution is obtained using an extension of the Jülich meson-exchange potential as bare kaon–nucleon interaction. Significant differences between a fully self-consistent calculation and the usually employed low-density Tρ approach are observed. The influence of the one-nucleon absorption process, KN→Θ+, on the kaon optical potential is negligible due to the small width of the pentaquark. In contrast, the two-nucleon mechanism, KNN→Θ+N, estimated from the coupling of the pentaquark to a two-meson cloud, provides the required amount of additional kaon absorption to reconcile with data the systematically low K+-nucleus reaction cross sections found by the theoretical models.
The D-meson spectral density at finite temperature is obtained within a self-consistent coupled-channel approach. For the bare meson–baryon interaction, a separable potential is taken, whose parameters are fixed by the position and width of the Λc(2593) resonance. The quasiparticle peak stays close to the free D-meson mass, indicating a small change in the effective mass for finite density and temperature. Furthermore, the spectral density develops a considerable width due to the coupled-channel structure. Our results indicate that the medium modifications for the D-mesons in nucleus-nucleus collisions at FAIR (GSI) will be dominantly on the width and not, as previously expected, on the mass.
The energy dependence of the local and violation in Au+Au and Cu+Cu collisions in a large energy range is estimated within a simple phenomenological model. It is expected that at LHC the chiral magnetic effect will be about 20 times weaker than at RHIC. At lower energy range, covered by the low-energy scan at RHIC and future NICA/FAIR facilities, the created magnetic field strength and energy density of deconfined matter are rather high providing necessary conditions for the chiral magnetic effect. However, the particular model for the chiral magnetic effect predicts that this effect should vanish sharply at energy somewhere above the top SPS one. To elucidate CME background effects the Hadron-String-Dynamics (HSD) transport model including electromagnetic fields is put forward. Importance of new planning experiments at LHC and for the low-energy RHIC scan program is emphasized.
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.
Quasi-universal behavior of the threshold mass in unequal-mass, spinning binary neutron star mergers
(2021)
The lifetime of the remnant produced by the merger of two neutron stars can provide a wealth of information on the equation of state of nuclear matter and on the processes leading to the electromagnetic counterpart. Hence, it is essential to determine when this lifetime is the shortest, corresponding to when the remnant has a mass equal to the threshold mass, Mth, to prompt collapse to a black hole. We report on the results of more than 360 simulations of merging neutron-star binaries covering 40 different configurations differing in mass ratio and spin of the primary. Using this data, we have derived a quasi-universal relation for Mth and expressed its dependence on the mass ratio and spin of the binary. The new expression recovers the results of Koeppel et al. for equal-mass, irrotational binaries and reveals that Mth can increase (decrease) by 5% (10%) for binaries that have spins aligned (antialigned) with the orbital angular momentum and provides evidence for a nonmonotonic dependence of Mth on the mass asymmetry in the system. Finally, we extend to unequal masses and spinning binaries the lower limits that can be set on the stellar radii once a neutron star binary is detected, illustrating how the merger of an unequal-mass, rapidly spinning binary can significantly constrain the allowed values of the stellar radii.
Post-merger gravitational-wave signal from neutron-star binaries: a new look at an old problem
(2023)
The spectral properties of the post-merger gravitational-wave signal from a binary of neutron stars encodes a variety of information about the features of the system and of the equation of state describing matter around and above nuclear saturation density. Characterizing the properties of such a signal is an “old” problem, which first emerged when a number of frequencies were shown to be related to the properties of the binary through “quasiuniversal” relations. Here we take a new look at this old problem by computing the properties of the signal in terms of the Weyl scalar ψ4. In this way, and using a database of more than 100 simulations, we provide the first evidence for a new instantaneous frequency, y f0 4, associated with the instant of quasi-time-symmetry in the dynamics, and which also follows a quasi-universal relation. We also derive a new quasi-universal relation for the merger frequency f h mer, which provides a description of the data that is 4 times more accurate than previous expressions while requiring fewer fitting coefficients. Finally, consistent with the findings of numerous studies before ours, and using an enlarged ensemble of binary systems, we point out that the ℓ = 2, m = 1 gravitational-wave mode could become comparable with the traditional ℓ = 2, m = 2 mode on sufficiently long timescales, with strain amplitudes in a ratio |h21|/|h22| ∼ 0.1–1 under generic orientations of the binary, which could be measured by present detectors for signals with a large signal-to-noise ratio or by third-generation detectors for generic signals should no collapse occur.
Chiral symmetry represents a fundamental concept lying at the core of particle and nuclear physics. Its spontaneous breaking in vacuum can be exploited to distinguish chiral hadronic partners, whose masses differ. In fact, the features of this breaking serve as guiding principles for the construction of effective approaches of QCD at low energies, e.g., the chiral perturbation theory, the linear sigma model, the (Polyakov)–Nambu–Jona-Lasinio model, etc. At high temperatures/densities chiral symmetry can be restored bringing the chiral partners to be nearly degenerated in mass. At vanishing baryochemical potential, such restoration follows a smooth transition, and the chiral companions reach this degeneration above the transition temperature. In this work I review how different realizations of chiral partner degeneracy arise in different effective theories/models of QCD. I distinguish the cases where the chiral states are either fundamental degrees of freedom or (dynamically-generated) composed states. In particular, I discuss the intriguing case in which chiral symmetry restoration involves more than two chiral partners, recently addressed in the literature.
The 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.
We explain how fluctuations of ratios can constrain and falsify the statistical model of particle production in heavy ion collisions, using K/p fluctuations as an example. We define an observable capable of determining which statistical model, if any, governs freeze-out in ultrarelativistic heavy ion collisions. We calculate this observable for K/p fluctuations, and show that it should be the same for RHIC and LHC energies, as well as independent of centrality, if the Grand-Canonical statistical model is an appropriate description and chemical equilibrium applies. We describe variations of this scaling for deviations from this scenario, such as light quark chemical non-equilibrium, strange quark over-saturation and local conservation (canonical ensemble) for strange quarks. We also introduce a similar observable capable, together with the published K*/K measurement, of ascertaining if an interacting hadron gas phase governs the system between thermal and chemical freeze-out, and of ascertaining its duration and impact on hadronic chemistry.
We argue that Clustering in heavy ion collisions could be the missing element in resolving the socalled HBT puzzle, and briefly discuss the different physical situations where clustering could be present. We then propose a method by which clustering in heavy ion collisions could be detectedin a model-independent way.
We demonstrate that a Quark–Gluon Plasma (QGP) with a dilute admixture of heavy quarks has, in general, a lower speed of sound than a “pure” QGP without effects from heavy flavors. The change in the speed of sound is sensitive to the details of the theory, making the hydrodynamic response to “flavoring” a sensitive probe of the underlying microscopic dynamics. We suggest that this effect may be measured in ultrarelativistic heavy ion collisions by relating the event-by-event number of charm quarks to flow observables such as the average transverse momentum.
When a very strong light field is applied to a molecule an electron can be ejected by tunneling. In order to quantify the time-resolved dynamics of this ionization process, the concept of the Wigner time delay can be used. The properties of this process can depend on the tunneling direction relative to the molecular axis. Here, we show experimental and theoretical data on the Wigner time delay for tunnel ionization of H2 molecules and demonstrate its dependence on the emission direction of the electron with respect to the molecular axis. We find, that the observed changes in the Wigner time delay can be quantitatively explained by elongated/shortened travel paths of the emitted electrons, which occur due to spatial shifts of the electrons’ birth positions after tunneling. Our work provides therefore an intuitive perspective towards the Wigner time delay in strong-field ionization.
Spontaneous brain activity is characterized in part by a balanced asynchronous chaotic state. Cortical recordings show that excitatory (E) and inhibitory (I) drivings in the E-I balanced state are substantially larger than the overall input. We show that such a state arises naturally in fully adapting networks which are deterministic, autonomously active and not subject to stochastic external or internal drivings. Temporary imbalances between excitatory and inhibitory inputs lead to large but short-lived activity bursts that stabilize irregular dynamics. We simulate autonomous networks of rate-encoding neurons for which all synaptic weights are plastic and subject to a Hebbian plasticity rule, the flux rule, that can be derived from the stationarity principle of statistical learning. Moreover, the average firing rate is regulated individually via a standard homeostatic adaption of the bias of each neuron’s input-output non-linear function. Additionally, networks with and without short-term plasticity are considered. E-I balance may arise only when the mean excitatory and inhibitory weights are themselves balanced, modulo the overall activity level. We show that synaptic weight balance, which has been considered hitherto as given, naturally arises in autonomous neural networks when the here considered self-limiting Hebbian synaptic plasticity rule is continuously active.
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.
As a first step towards a realistic phenomenological description of vector and axial-vector mesons in nuclear matter, we calculate the spectral functions of the ρ and the a1 meson in a chiral baryon-meson model as a low-energy effective realization of QCD, taking into account the effects of fluctuations from scalar mesons, nucleons, and vector mesons within the functional renormalization group (FRG) approach. The phase diagram of the effective hadronic theory exhibits a nuclear liquid-gas phase transition as well as a chiral phase transition at a higher baryon-chemical potential. The in-medium ρ and a1 spectral functions are calculated by using the previously introduced analytically-continued FRG (aFRG) method. Our results show strong modifications of the spectral functions—in particular near the critical endpoints of both phase transitions—which may well be of relevance for electromagnetic rates in heavy-ion collisions or neutrino emissivities in neutron-star merger events.
The spike protein (S) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is required for cell entry and is the primary focus for vaccine development. In this study, we combined cryo–electron tomography, subtomogram averaging, and molecular dynamics simulations to structurally analyze S in situ. Compared with the recombinant S, the viral S was more heavily glycosylated and occurred mostly in the closed prefusion conformation. We show that the stalk domain of S contains three hinges, giving the head unexpected orientational freedom. We propose that the hinges allow S to scan the host cell surface, shielded from antibodies by an extensive glycan coat. The structure of native S contributes to our understanding of SARS-CoV-2 infection and potentially to the development of safe vaccines.
Bardeen black hole chemistry
(2019)
In the present paper we try to connect the Bardeen black hole with the concept of the recently proposed black hole chemistry. We study thermodynamic properties of the regular black hole with an anti-deSitter background. The negative cosmological constant Λ plays the role of the positive thermodynamic pressure of the system. After studying the thermodynamic variables, we derive the corresponding equation of state and we show that a neutral Bardeen-anti-deSitter black hole has similar phenomenology to the chemical Van der Waals fluid. This is equivalent to saying that the system exhibits criticality and a first order small/large black hole phase transition reminiscent of the liquid/gas coexistence.
We examine the thermodynamic behavior of a static neutral regular (non-singular) black hole enclosed in a finite isothermal cavity. The cavity enclosure helps us investigate black hole systems in a canonical or a grand canonical ensemble. Here we demonstrate the derivation of the reduced action for the general metric of a regular black hole in a cavity by considering a canonical ensemble. The new expression of the action contains quantum corrections at short distances and concludes to the action of a singular black hole in a cavity at large distances. We apply this formalism to the noncommutative Schwarzschild black hole, in order to study the phase structure of the system. We conclude to a possible small/large stable regular black hole transition inside the cavity that exists neither at the system of a classical Schwarzschild black hole in a cavity, nor at the asymptotically flat regular black hole without the cavity. This phase transition seems to be similar with the liquid/gas transition of a Van der Waals gas.
Previous experimental measurements from nuclear collisions have indicated modifications of jets by interaction with the medium created in the collision. Observables from particle correlations in the ALICE detector continue to provide access to key properties of the hot deconfined nuclear matter. New results from two- and three-particle number and transverse momentum correlations are discussed. Specifically, correlation function properties are characterized as a function of transverse momentum and centrality and for different charge combinations. Fourier decompositions are performed, identified particle ratios are studied in the jet-like peak and in the bulk, and the away-side shape is looked at in three-particle correlations.
Heavy quark and charmonium production as well as their space-time evolution are studied in transport simulations of heavy-ion collisions at RHIC and LHC. In the partonic transport model Boltzmann Approach of MultiParton Scatterings (BAMPS) heavy quarks can be produced in initial hard parton scatterings or during the evolution of the quark-gluon plasma. Subsequently, they interact with the medium via binary scatterings with a running coupling and a more precise Debye screening which is derived from hard thermal loop calculations, participate in the flow and lose energy. We present results of the elliptic flow and nuclear modification factor of heavy quarks and compare them to available data. Furthermore, preliminary results on J/psi suppression at forward and mid-rapidity are reported for central and non-central collisions at RHIC. For this, we study cold nuclear matter effects and the dissociation as well as regeneration of J/psi in the quark-gluon plasma. XLIX International Winter Meeting on Nuclear Physics 24-28 January 2011 BORMIO, Italy
The dynamic collective model has been extended to quadrupole giant resonances in spherical nuclei. The splitting of giant dipole and giant quadrupole resonances due to their coupling to surface vibrations has been calculated for Sn isotopes. Agreement with recent γ-absorption measurements of the Livermore group has been found.
We have extended the Langevin equations to 4 dimensions (4D) by allowing the independent deformation for the left (δ1) and right fragments (δ2) of the fissioning nucleus. At the moment we are only able to use them in conjunction with the macroscopic transport coefficients. Nevertheless, we can see a considerable improvement in the preliminary results for the fission observables, especially those related to the total kinetic energy (TKE) of fission fragments. By plotting the TKE distributions we have revealed the super-long fission modes in 236U and super-short fission modes in 257Fm. By plotting the distribution of δ against the fragment’s TKE we have noted a correlation between the values of δ and Brosa’s fission modes. We have found that the standard fission modes correspond to prolate tips of the light fragments while the complementary heavy fragments have oblate fission tips. On the other hand, if both fragments were prolate at the tips, we get super-long fission modes. If both fragments were oblate at the tips, we get super-short fission modes.
Motivated by the wealth of proposals and realizations of nontrivial topological phases in EuCd2As2, such as a Weyl semimetallic state and the recently discussed semimetallic versus semiconductor behavior in this system, we analyze in this work the role of the delicate interplay of Eu magnetism, strain and pressure on the realization of such phases. For that we invoke a combination of a group theoretical analysis with ab initio density functional theory calculations and uncover a rich phase diagram with various non-trivial topological phases beyond a Weyl semimetallic state, such as axion and topological crystalline insulating phases, and discuss their realization.
IHMCIF: an extension of the PDBx/mmCIF data standard for integrative structure determination methods
(2024)
IHMCIF (github.com/ihmwg/IHMCIF) is a data information framework that supports archiving and disseminating macromolecular structures determined by integrative or hybrid modeling (IHM), and making them Findable, Accessible, Interoperable, and Reusable (FAIR). IHMCIF is an extension of the Protein Data Bank Exchange/macromolecular Crystallographic Information Framework (PDBx/mmCIF) that serves as the framework for the Protein Data Bank (PDB) to archive experimentally determined atomic structures of biological macromolecules and their complexes with one another and small molecule ligands (e.g., enzyme cofactors and drugs). IHMCIF serves as the foundational data standard for the PDB-Dev prototype system, developed for archiving and disseminating integrative structures. It utilizes a flexible data representation to describe integrative structures that span multiple spatiotemporal scales and structural states with definitions for restraints from a variety of experimental methods contributing to integrative structural biology. The IHMCIF extension was created with the benefit of considerable community input and recommendations gathered by the Worldwide Protein Data Bank (wwPDB) Task Force for Integrative or Hybrid Methods (wwpdb.org/task/hybrid). Herein, we describe the development of IHMCIF to support evolving methodologies and ongoing advancements in integrative structural biology. Ultimately, IHMCIF will facilitate the unification of PDB-Dev data and tools with the PDB archive so that integrative structures can be archived and disseminated through PDB.
In this roadmap article, we have focused on the most recent advances in terahertz (THz) imaging with particular attention paid to the optimization and miniaturization of the THz imaging systems. Such systems entail enhanced functionality, reduced power consumption, and increased convenience, thus being geared toward the implementation of THz imaging systems in real operational conditions. The article will touch upon the advanced solid-state-based THz imaging systems, including room temperature THz sensors and arrays, as well as their on-chip integration with diffractive THz optical components. We will cover the current-state of compact room temperature THz emission sources, both optolectronic and electrically driven; particular emphasis is attributed to the beam-forming role in THz imaging, THz holography and spatial filtering, THz nano-imaging, and computational imaging. A number of advanced THz techniques, such as light-field THz imaging, homodyne spectroscopy, and phase sensitive spectrometry, THz modulated continuous wave imaging, room temperature THz frequency combs, and passive THz imaging, as well as the use of artificial intelligence in THz data processing and optics development, will be reviewed. This roadmap presents a structured snapshot of current advances in THz imaging as of 2021 and provides an opinion on contemporary scientific and technological challenges in this field, as well as extrapolations of possible further evolution in THz imaging.
Stored and cooled highly-charged ions offer unprecedented capabilities for precision studies in realm of atomic-, nuclear-structure and astrophysics. In context of the latter, after the successful investigation of the cross section of 96Ru(p,γ) in 2009, in 2016 the first measurement of the 124Xe(p,γ)125Cs reaction was performed at the Experimental Storage Ring (ESR) at GSI.
Stored and cooled, highly-charged ions offer unprecedented capabilities for precision studies in the realm of atomic, nuclear structure and astrophysics[1]. After the successful investigation of the 96Ru(p,7)97Rh reaction cross section in 2009[2], the first measurement of the 124Xe(p,7)125Cs reaction cross section has been performed with decelerated, fully-ionized 124Xe ions in 2016 at the Experimental Storage Ring (ESR) of GSI[3]. Using a Double Sided Silicon Strip Detector, introduced directly into the ultra-high vacuum environment of a storage ring, the 125Cs proton-capture products have been successfully detected. The cross section has been measured at 5 different energies between 5.5AMeV and 8AMeV, on the high energy tail of the Gamow-window for hot, explosive scenarios such as supernovae and X-ray binaries. The elastic scattering on the H2 gas jet target is the major source of background to count the (p,7) events. Monte Carlo simulations show that an additional slit system in the ESR in combination with the energy information of the Si detector will enable background free measurements of the proton-capture products. The corresponding hardware is being prepared and will increase the sensitivity of the method tremendously.
We discuss the possibility that nuclei with very large baryon numbers can exist in the form of large quark blobs in their ground states. A calculation based on the picture of quark bags shows that, in principle, the appearance of such exotic nuclear states in present laboratory experiments cannot be excluded. Some speculations in connection with the recently observed anomalous positron production in heavy-ion experiments are presented.
The cosmological implications of the Covariant Canonical Gauge Theory of Gravity (CCGG) are investigated. CCGG is a Palatini theory derived from first principles using the canonical transformation formalism in the covariant Hamiltonian formulation. The Einstein-Hilbert theory is thereby extended by a quadratic Riemann-Cartan term in the Lagrangian. Moreover, the requirement of covariant conservation of the stress-energy tensor leads to necessary presence of torsion. In the Friedman universe that promotes the cosmological constant to a time-dependent function, and gives rise to a geometrical correction with the EOS of dark radiation. The resulting cosmology, compatible with the ΛCDM parameter set, encompasses bounce and bang scenarios with graceful exits into the late dark energy era. Testing those scenarios against low-z observations shows that CCGG is a viable theory.
A modification of the Einstein–Hilbert theory, the Covariant Canonical Gauge Gravity (CCGG), leads to a cosmological constant that represents the energy of the space–time continuum when deformed from its (A)dS ground state to a flat geometry. CCGG is based on the canonical transformation theory in the De Donder–Weyl (DW) Hamiltonian formulation. That framework modifies the Einstein–Hilbert Lagrangian of the free gravitational field by a quadratic Riemann–Cartan concomitant. The theory predicts a total energy-momentum of the system of space–time and matter to vanish, in line with the conjecture of a “Zero-Energy-Universe” going back to Lorentz (1916) and Levi-Civita (1917). Consequently, a flat geometry can only exist in presence of matter where the bulk vacuum energy of matter, regardless of its value, is eliminated by the vacuum energy of space–time. The observed cosmological constant Λobs is found to be merely a small correction attributable to deviations from a flat geometry and effects of complex dynamical geometry of space–time, namely torsion and possibly also vacuum fluctuations. That quadratic extension of General Relativity, anticipated already in 1918 by Einstein, thus provides a significant and natural contribution to resolving the “cosmological constant problem”.
This short paper gives a brief overview of the manifestly covariant canonical gauge gravity (CCGG) that is rooted in the De Donder-Weyl Hamiltonian formulation of relativistic field theories, and the proven methodology of the canonical transformation theory. That framework derives, from a few basic physical and mathematical assumptions, equations describing generic matter and gravity dynamics with the spin connection emerging as a Yang Mills-type gauge field. While the interaction of any matter field with spacetime is fixed just by the transformation property of that field, a concrete gravity ansatz is introduced by the choice of the free (kinetic) gravity Hamiltonian. The key elements of this approach are discussed and its implications for particle dynamics and cosmology are presented. New insights: Anomalous Pauli coupling of spinors to curvature and torsion of spacetime, spacetime with (A)dS ground state, inertia, torsion and geometrical vacuum energy, Zero-energy balance of the Universe leading to a vanishing cosmological constant and torsional dark energy.
Walter Greiner: in memoriam
(2017)
Walter Greiner (29 October 1935 - 6 October 2016) was a German theoretical physicist. His scientific research interests include the thematic areas of atomic physics, heavy ion physics, nuclear physics, elementary particle physics (particularly quantum electrodynamics and quantum chromodynamics). He is most known in Germany for his series of books in theoretical physics, but he is also well known around the world. Greiner was born on October 29, 1935, in Neuenbau, Sonnenberg, Germany. He studied physics at the University of Frankfurt (Goethe University in Frankfurt Am Main), receiving in this institution a BSci in physics and a Master’s degree in 1960 with a thesis on plasma-reactors, and a PhD in 1961 at the University of Freiburg under Hans Marshal, with a thesis on the nuclear polarization in μμ-mesic atoms. During the period of 1962 to 1964 he was assistant professor at the University of Maryland, followed by a position as research associate at the University of Freiburg, in 1964. Starting in 1965, he became a full professor at the Institute for Theoretical Physics at Goethe University until 2003. Greiner has been a visiting professor to many universities and laboratories, including Florida State University, the University of Virginia, the University of California, the University of Melbourne, Vanderbilt University, Yale University, Oak Ridge National Laboratory and Los Alamos National Laboratory. In 2003, with Wolf Singer, he was the founding Director of the Frankfurt Institute for Advanced Studies (FIAS), and gave lectures and seminars in elementary particle physics. He died on October 6, 2016 at the age of 80.
Walter Greiner was an excellent teacher, researcher, friend. And he was a great supporter of the series of events known by the acronyms IWARA - International Workshop on Astronomy and Relativistic Astrophysics, STARS - Caribbean Symposium on Cosmology, Gravitation, Nuclear and Astroparticle Physics, and SMFNS - International Symposium on Strong Electromagnetic Fields and Neutron Stars. Walter Greiner left us. But his memory will remain always alive among us who have had the privilege of knowing him and enjoy his wisdom and joy of living.
Mixing and magnetic fields in asymptotic giant branch stars in the framework of FRUITY models
(2021)
In the last few years, the modeling of asymptotic giant branch (AGB) stars has been much investigated, both focusing on nucleosynthesis and stellar evolution aspects. Recent advances in the input physics required for stellar computations made it possible to construct more accurate evolutionary models, which are an essential tool to interpret the wealth of available observational and nucleosynthetic data. Motivated by such improvements, the FUNS stellar evolutionary code has been updated. Nonetheless, mixing processes occurring in AGB stars’ interiors are currently not well-understood. This is especially true for the physical mechanism leading to the formation of the 13C pocket, the major neutron source in low-mass AGB stars. In this regard, post-processing s-process models assuming that partial mixing of protons is induced by magneto-hydrodynamics processes were shown to reproduce many observations. Such mixing prescriptions have now been implemented in the FUNS code to compute stellar models with fully coupled nucleosynthesis. Here, we review the new generation of FRUITY models that include the effects of mixing triggered by magnetic fields by comparing theoretical findings with observational constraints available either from the isotopic analysis of trace-heavy elements in presolar grains or from carbon AGB stars and Galactic open clusters.
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.
s-processing in asymptotic giant branch stars in the light of revised neutron-capture cross sections
(2021)
Current AGB stellar models provide an adequate description of the s-process nucleosynthesis that occurs. Nonetheless, they still suffer from many uncertainties related to the modeling of the 13C pocket formation and the adopted nuclear reaction rates. For many important s-process isotopes, a best set of neutron-capture cross sections was recently re-evaluated. Using stellar models prescribing that the 13C pocket is a by-product of magnetic-buoyancy-induced mixing phenomena, s-process calculations were carried out with this database. Significant effects are found for a few s-only and branching point isotopes, pointing out the need for improved neutron-capture cross section measurements at low energy.
Neutron star mergers (NSMs) are one of the astrophysical sites for the occurrence of the rapid neutron capture process (r-process). After a merger, the ejected neutron-rich matter hosts the production of radioactive heavy nuclei located far from the stability valley. Their nuclear physics properties are key inputs for r-process nucleosynthesis calculations. Here, we focus on the importance of neutron-capture rates and perform a sensitivity study for typical outflows from NSMs. We identify the rates with the highest impact on the final r-process abundance pattern and the nuclear energy release, therefore determining the nucleosynthesis in NSMs. A list of major n-capture rates affecting individual isotopes and elements production is also provided.
In the study of trapped two-component Bose gases, a widely used dynamical protocol is to start from the ground state of a one-component condensate and then switch half the atoms into another hyperfine state. The slightly different intra-component and inter-component interactions can then lead to highly non-trivial dynamics, especially in the density mismatch between the two components, commonly referred to as 'spin' density. We study and classify the possible subsequent dynamics, over a wide variety of parameters spanned by the trap strength and by the inter- to intra-component interaction ratio. A stability analysis suited to the trapped situation provides us with a framework to explain the various types of dynamics in different regimes.
Inverse modeling of circular lattices via orbit response measurements in the presence of degeneracy
(2023)
The number and location of beam position monitors (BPMs) and steerers with respect to the quadrupoles in a circular lattice can lead to degeneracy in the context of fitting linear optics and extracting lattice information from measured closed orbits. Furthermore, the measurement uncertainties due to the imperfection of BPMs and steerers can be propagated by the fitting process in ways that prohibit the successful extraction of discrepancies between lattice elements in the real machine and their description in the corresponding model. We systematically studied the influence of the placement of BPMs and steerers on the reconstruction of linear optics and corresponding lattice information. The derivative of orbit response coefficients with respect to the quadrupole strengths, the Jacobian, is derived as an analytical formula. This analytical version of the Jacobian is used to further derive the theoretical limitations of fitting linear optics from closed orbits in terms of the placement of BPMs and steerers. It is further demonstrated that when evaluating the Jacobian during the fitting procedure, the analytical version can be used in place of the conventional finite-difference computation. This allows for greatly improved efficiency when computing the Jacobian during each iteration of the fitting procedure. The approach is tested with large-scale simulations and the findings are verified by measurement data taken on SIS18 synchrotron at GSI Helmholtz Centre for Heavy Ion Research. The presented methods are of general nature and can be applied to other accelerator lattices as well. The fitting procedure by using the analytical Jacobian is tested in conjunction with various methods for mitigating quasidegeneracy and the results agree with those obtained by using the conventional Jacobian via finite-difference approximation.
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.
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.
The radiative electron capture (REC) into the K shell of bare Xe ions colliding with a hydrogen gas target has been investigated. In this study, the degree of linear polarization of the K-REC radiation was measured and compared with rigorous relativistic calculations as well as with the previous results recorded for U92+. Owing to the improved detector technology, a significant gain in precision of the present polarization measurement is achieved compared to the previously published results. The obtained data confirms that for medium-Z ions such as Xe, the REC process is a source of highly polarized x rays which can easily be tuned with respect to the degree of linear polarization and the photon energy. We argue, in particular, that for relatively low energies the photons emitted under large angles are almost fully linear polarized.
These proceedings will cover various studies of hadronic resonances within the UrQMD transport model. After a brief explanation of the model, various observables will be highlighted and the chances for resonance reconstruction in hadronic channels will be discussed. Possible signals of chiral symmetry restoration will be investigated for feasibility.
A model for the quantum yield of the coloration caused by UV-light in spiropyran layers is described. This model allows to calculate the sensitivity of layers having different compositions. The mechanism concerning the stability of the coloration is essentially clarified. Calculations of the stability for layers of different compositions are possible by a model describing the mechanism approximately.
The quantum van der Waals (QvdW) extension of the ideal hadron resonance gas (HRG) model which includes the attractive and repulsive interactions between baryons – the QvdW-HRG model – is applied to study the behavior of the baryon number related susceptibilities in the crossover temperature region. Inclusion of the QvdW interactions leads to a qualitatively different behavior of susceptibilities, in many cases resembling lattice QCD simulations. It is shown that for some observables, in particular for χBQ11/χB2, effects of the QvdW interactions essentially cancel out. It is found that the inclusion of the finite resonance widths leads to an improved description of χB2, but it also leads to a worse description of χBQ11/χB2, as compared to the lattice data. On the other hand, inclusion of the extra, unconfirmed baryons into the hadron list leads to a simultaneous improvement in the description of both observables.
We investigate the possible formation of a Bose-Einstein condensed phase of pions in the early Universe at nonvanishing values of lepton flavor asymmetries. A hadron resonance gas model with pion interactions, based on first-principle lattice QCD simulations at nonzero isospin density, is used to evaluate cosmic trajectories at various values of electron, muon, and tau lepton asymmetries that satisfy the available constraints on the total lepton asymmetry. The cosmic trajectory can pass through the pion condensed phase if the combined electron and muon asymmetry is sufficiently large: |le+lμ|≳0.1, with little sensitivity to the difference le−lμ between the individual flavor asymmetries. Future constraints on the values of the individual lepton flavor asymmetries will thus be able to either confirm or rule out the condensation of pions during the cosmic QCD epoch. We demonstrate that the pion condensed phase leaves an imprint both on the spectrum of primordial gravitational waves and on the mass distribution of primordial black holes at the QCD scale, e.g., the black hole binary of recent LIGO event GW190521 can be formed in that phase.
We estimate the feeddown contributions from decays of unstable A=4 and A=5 nuclei to the final yields of protons, deuterons, tritons, 3He, and 4He produced in relativistic heavy-ion collisions at sNN>2.4 GeV, using the statistical model. The feeddown contribution effects do not exceed 5% at LHC and top RHIC energies due to the large penalty factors involved, but are substantial at intermediate collision energies. We observe large feeddown contributions for tritons, 3He, and 4He at sNN≲10 GeV, where they may account for as much as 70% of the final yield at the lower end of the collision energies considered. Sizable (>10%) effects for deuteron yields are observed at sNN≲4 GeV. The results suggest that the excited nuclei feeddown cannot be neglected in the ongoing and future analysis of light nuclei production at intermediate collision energies, including HADES and CBM experiments at FAIR, NICA at JINR, RHIC beam energy scan and fixed-target programmes, and NA61/SHINE at CERN. We further show that the freeze-out curve in the T-μB plane itself is affected significantly by the light nuclei at high baryochemical potential.
The statistical model with exact conservation of baryon number, electric charge, and strangeness – the Canonical Statistical Model (CSM) – is used to analyze the dependence of yields of light nuclei at midrapidity on charged pion multiplicity at the LHC. The CSM calculations are performed assuming baryon-symmetric matter, using the recently developed Thermal-FIST package. The light nuclei-to-proton yield ratios show a monotonic increase with charged pion multiplicity, with a saturation at the corresponding grand-canonical values in the high-multiplicity limit, in good qualitative agreement with the experimental data measured by the ALICE collaboration in pp and Pb–Pb collisions at different centralities and energies. Comparison with experimental data at low multiplicities shows that exact conservation of charges across more than one unit of rapidity and/or a chemical freeze-out temperature which decreases with the charged pion multiplicity improves agreement with the data.
The production of light (anti-)(hyper-)nuclei in heavy-ion collisions at the LHC is considered in the framework of the Saha equation, making use of the analogy between the evolution of the early universe after the Big Bang and that of “Little Bangs” created in the lab. Assuming that disintegration and regeneration reactions involving light nuclei proceed in relative chemical equilibrium after the chemical freeze-out of hadrons, their abundances are determined through the famous cosmological Saha equation of primordial nucleosynthesis and show no exponential dependence on the temperature typical for the thermal model. A quantitative analysis, performed using the hadron resonance gas model in partial chemical equilibrium, shows agreement with experimental data of the ALICE collaboration on d, 3He, HΛ3, and 4He yields for a very broad range of temperatures at T≲155 MeV. The presented picture is supported by the observed suppression of resonance yields in central Pb–Pb collisions at the LHC. Keywords: Light (anti-)(hyper-)nuclei production, Saha equation, Partial chemical equilibrium.
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.
We analyze the behavior of cumulants of conserved charges in a subvolume of a thermal system with exact global conservation laws by extending a recently developed subensemble acceptance method (SAM) [1] to multiple conserved charges. Explicit expressions for all diagonal and off-diagonal cumulants up to sixth order that relate them to the grand canonical susceptibilities are obtained. The derivation is presented for an arbitrary equation of state with an arbitrary number of different conserved charges. The global conservation effects cancel out in any ratio of two second order cumulants, in any ratio of two third order cumulants, as well as in a ratio of strongly intensive measures Σ and ∆ involving any two conserved charges, making all these quantities particularly suitable for theory-to-experiment comparisons in heavy-ion collisions. We also show that the same cancellation occurs in correlators of a conserved charge, like the electric charge, with any non-conserved quantity such as net proton or net kaon number. The main results of the SAM are illustrated in the framework of the hadron resonance gas model. We also elucidate how net-proton and net-Λ fluctuations are affected by conservation of electric charge and strangeness in addition to baryon number.
The first principle lattice QCD methods allow to calculate the thermodynamic observables at finite temperature and imaginary chemical potential. These can be compared to the predictions of various phenomenological models. We argue that Fourier coefficients with respect to imaginary baryochemical potential are sensitive to modeling of baryonic interactions. As a first application of this sensitivity, we consider the hadron resonance gas (HRG) model with repulsive baryonic interactions, which are modeled by means of the excluded volume correction. The Fourier coefficients of the imaginary part of the netbaryon density at imaginary baryochemical potential – corresponding to the fugacity or virial expansion at real chemical potential – are calculated within this model, and compared with the Nt = 12 lattice data. The lattice QCD behavior of the first four Fourier coefficients up to T 185 MeV is described fairly well by an interacting HRG with a single baryon–baryon eigenvolume interaction parameter b 1 fm3, while the available lattice data on the difference χB 2 − χB 4 of baryon number susceptibilities is reproduced up to T 175 MeV.
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.
The QCD equation of state at finite baryon density is studied in the framework of a Cluster Expansion Model (CEM), which is based on the fugacity expansion of the net baryon density. The CEM uses the two leading Fourier coefficients, obtained from lattice simulations at imaginary μB, as the only model input and permits a closed analytic form. Excellent description of the available lattice data at both μB = 0 and at imaginary μB is obtained. We also demonstrate how the Fourier coefficients can be reconstructed from baryon number susceptibilities.
The conducting properties in the basal ab plane of pure and Al-doped YBa2Cu3O7-γ single crystals before and after long-time exposure in air atmosphere are investigated. It is shown that prolonged aging leads to an increase of the density of effective scattering centers for the normal carriers. The aluminum doping has been revealed to partially slowdown the degradation of the conducting properties in process of aging. The excess conductivity, Δδ(T), has been found to obey exponential dependence in the broad temperature range Tc<T<T*. In the pseudogap regime, the mean-field transition temperature and the 3D-2D crossover point in the excess conductivity have been quantified. Near the critical temperature, is described well within the Aslamazov-Larkin theoretical model. Herewith, both aluminum doping and prolonged aging have been found to essentially expand the temperature interval of implementation of the pseudogap state, thus narrowing the linear section in the dependence ρab(T).
Starting from IP-Glasma initial conditions, we investigate the effects of bulk pressure on low mass dilepton production at the Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC) energies. Though thermal dilepton is affected by the presence of both bulk and shear viscosity, whether or not these effects can be measured depends on the dilepton “cocktail” contribution to the the low mass dilepton . Combining the thermal and “cocktail” dileptons, the effects of bulk viscosity on total dilepton is investigated.
Cysteine cross-linking in native membranes establishes the transmembrane architecture of Ire1
(2021)
The ER is a key organelle of membrane biogenesis and crucial for the folding of both membrane and secretory proteins. Sensors of the unfolded protein response (UPR) monitor the unfolded protein load in the ER and convey effector functions for maintaining ER homeostasis. Aberrant compositions of the ER membrane, referred to as lipid bilayer stress, are equally potent activators of the UPR. How the distinct signals from lipid bilayer stress and unfolded proteins are processed by the conserved UPR transducer Ire1 remains unknown. Here, we have generated a functional, cysteine-less variant of Ire1 and performed systematic cysteine cross-linking experiments in native membranes to establish its transmembrane architecture in signaling-active clusters. We show that the transmembrane helices of two neighboring Ire1 molecules adopt an X-shaped configuration independent of the primary cause for ER stress. This suggests that different forms of stress converge in a common, signaling-active transmembrane architecture of Ire1.
Using the eigenchannel reaction theory we performed coupled-channel calculations for Si28 and computed the differential cross section for Al27(p, γ0)Si28 over the energy range 6 MeV<Ep <16 MeV. The obtained angular distributions are nearly constant over the whole energy range and agree with the experiment in that they are almost isotropic. Thus, it seems that in this framework we can give a natural explanation for the peculiar behavior of the Al27(p, γ0)Si28 cross section.
The total particle-particle SJ matrix of O16 for spin J=1- and excitation energies between 15 and 27 MeV has been calculated in the eigenchannel reaction theory for several parameters of the Saxon-Woods potential and the two-body force. The many-body problem has been treated in the 1-particle-1-hole approximation. The photon channels have been included by perturbation theory. Surprisingly, the most important structure of the experimental cross sections is reproduced quite well in this simple approximation.
The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the constituents is decisive and the spatial and the momentum distribution of one electron depends on those of the other electrons and the nuclei. Such correlations have escaped direct observation by imaging techniques so far. Here, we implement an imaging scheme which visualizes correlations between electrons by coincident detection of the reaction fragments after high energy photofragmentation. With this technique, we examine the H2 two-electron wave function in which electron–electron correlation beyond the mean-field level is prominent. We visualize the dependence of the wave function on the internuclear distance. High energy photoelectrons are shown to be a powerful tool for molecular imaging. Our study paves the way for future time resolved correlation imaging at FELs and laser based X-ray sources.
We analyze the phase structure of the nonlinear mean-field meson theory of baryonic matter (nucleons plus delta resonances). Depending on the choice of the coupling constants, we find three physically distinct phase transitions in this theory: a nucleonic liquid-gas transition in the low temperature, Tc<20 MeV, low density, ρ≃0.5ρ0, regime, a high-temperature (T≃150 MeV) finite density transition from a gas of massive hadrons to a nearly massless baryon, antibaryon plasma, and, third, a strong phase transition from the nucleonic fluid to a resonance-dominated ‘‘delta-matter’’ isomer at ρ>2ρ0 and Tc<50 MeV. All three phase transitions are of first order. It is shown that the occurrence of these different phase transitions depends critically on the coupling constants. Since the production of pions also depends strongly on the coupling constants, it is seen that the equation of state cannot be derived unambiguously from pion data.
We investigated the excitation of surface plasmon polaritons on gold films with the metallized probe tip of a scattering-type scanning near-field optical microscope (s-SNOM). The emission of the polaritons from the tip, illuminated by near-infrared laser radiation, was found to be anisotropic and not circularly symmetric as expected on the basis of literature data. We furthermore identified an additional excitation channel via light that was reflected off the tip and excited the plasmon polaritons at the edge of the metal film. Our results, while obtained for a non-rotationally-symmetric type of probe tip and thus specific for this situation, indicate that when an s-SNOM is employed for the investigation of plasmonic structures, the unintentional excitation of surface waves and anisotropic surface wave propagation must be considered in order to correctly interpret the signatures of plasmon polariton generation and propagation.
Low-level-laser therapy (LLLT) is an effective complementary treatment, especially for anti-inflammation and wound healing in which dermis or mucus mast cells (MCs) are involved. In periphery, MCs crosstalk with neurons via purinergic signals and participate in various physiological and pathophysiological processes. Whether extracellular ATP, an important purine in purinergic signaling, of MCs and neurons could be modulated by irradiation remains unknown. In this study, effects of red-laser irradiation on extracellular ATP content of MCs and dorsal root ganglia (DRG) neurons were investigated and underlying mechanisms were explored in vitro. Our results show that irradiation led to elevation of extracellular ATP level in the human mast cell line HMC-1 in a dose-dependent manner, which was accompanied by elevation of intracellular ATP content, an indicator for ATP synthesis, together with [Ca2+]i elevation, a trigger signal for exocytotic ATP release. In contrast to MCs, irradiation attenuated the extracellular ATP content of neurons, which could be abolished by ARL 67156, a nonspecific ecto-ATPases inhibitor. Our results suggest that irradiation potentiates extracellular ATP of MCs by promoting ATP synthesis and release and attenuates extracellular ATP of neurons by upregulating ecto-ATPase activity. The opposite responses of these two cell types indicate complex mechanisms underlying LLLT.
In Chinese medicine acupuncture points are treated by physical stimuli to counteract various diseases. These stimuli include mechanical stress as applied during the needle manipulation or tuina, high temperatures as applied during moxibustion, and red laser light applied during laser acupuncture. This study aimed to investigate cellular responses to stimuli that might occur in the tissue of acupuncture points. Since they have a characteristically high density of mast cells that degranulate in response to acupuncture, we asked whether these processes lead to ATP release. We tested in in vitro experiments on mast cells of the human mast-cell line HMC-1 the effects of the physical stimuli; mechanical stress was applied by superfusion of the cells with hypotonic solution, heat was applied by incubation of the cells at 52°C, and red laser light of 657 nm was used for irradiation. We demonstrate that all the stimuli induce ATP release from model human mast HMC-1 cells, and this release is associated with an intracellular free Ca2+ rise. We hypothesize that ATP released from mast cells supplements the already known release of ATP from keratinocytes and, by acting on P2X receptors, it may serve as initial mediator of acupuncture-induced analgesia.
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.
The ability to learn sequential behaviors is a fundamental property of our brains. Yet a long stream of studies including recent experiments investigating motor sequence learning in adult human subjects have produced a number of puzzling and seemingly contradictory results. In particular, when subjects have to learn multiple action sequences, learning is sometimes impaired by proactive and retroactive interference effects. In other situations, however, learning is accelerated as reflected in facilitation and transfer effects. At present it is unclear what the underlying neural mechanism are that give rise to these diverse findings. Here we show that a recently developed recurrent neural network model readily reproduces this diverse set of findings. The self-organizing recurrent neural network (SORN) model is a network of recurrently connected threshold units that combines a simplified form of spike-timing dependent plasticity (STDP) with homeostatic plasticity mechanisms ensuring network stability, namely intrinsic plasticity (IP) and synaptic normalization (SN). When trained on sequence learning tasks modeled after recent experiments we find that it reproduces the full range of interference, facilitation, and transfer effects. We show how these effects are rooted in the network’s changing internal representation of the different sequences across learning and how they depend on an interaction of training schedule and task similarity. Furthermore, since learning in the model is based on fundamental neuronal plasticity mechanisms, the model reveals how these plasticity mechanisms are ultimately responsible for the network’s sequence learning abilities. In particular, we find that all three plasticity mechanisms are essential for the network to learn effective internal models of the different training sequences. This ability to form effective internal models is also the basis for the observed interference and facilitation effects. This suggests that STDP, IP, and SN may be the driving forces behind our ability to learn complex action sequences.
We present a new type of flow analysis, based on a particle-pair correlation function, in which there is no need for an event-by-event determination of the reaction plane. Consequently, the need to correct for dispersion in an estimated reaction plane does not arise. Our method also offers the option to avoid any influence from particle misidentification. Using this method, streamer chamber data for collisions of Ar+KCl and Ar+BaI2 at 1.2 GeV/nucleon are compared with predictions of a nuclear transport model.
A deep convolutional neural network (CNN) is developed to study symmetry energy (Esym(ρ)) effects by learning the mapping between the symmetry energy and the two-dimensional (transverse momentum and rapidity) distributions of protons and neutrons in heavy-ion collisions. Supervised training is performed with labeled data-set from the ultrarelativistic quantum molecular dynamics (UrQMD) model simulation. It is found that, by using proton spectra on event-by-event basis as input, the accuracy for classifying the soft and stiff Esym(ρ) is about 60% due to large event-by-event fluctuations, while by setting event-summed proton spectra as input, the classification accuracy increases to 98%. The accuracies for 5-label (5 different Esym(ρ)) classification task are about 58% and 72% by using proton and neutron spectra, respectively. For the regression task, the mean absolute errors (MAE) which measure the average magnitude of the absolute differences between the predicted and actual L (the slope parameter of Esym(ρ)) are about 20.4 and 14.8 MeV by using proton and neutron spectra, respectively. Fingerprints of the density-dependent nuclear symmetry energy on the transverse momentum and rapidity distributions of protons and neutrons can be identified by convolutional neural network algorithm.
Complex I couples the free energy released from quinone (Q) reduction to pump protons across the biological membrane in the respiratory chains of mitochondria and many bacteria. The Q reduction site is separated by a large distance from the proton-pumping membrane domain. To address the molecular mechanism of this long-range proton-electron coupling, we perform here full atomistic molecular dynamics simulations, free energy calculations, and continuum electrostatics calculations on complex I from Thermus thermophilus. We show that the dynamics of Q is redox-state-dependent, and that quinol, QH2, moves out of its reduction site and into a site in the Q tunnel that is occupied by a Q analog in a crystal structure of Yarrowia lipolytica. We also identify a second Q-binding site near the opening of the Q tunnel in the membrane domain, where the Q headgroup forms strong interactions with a cluster of aromatic and charged residues, while the Q tail resides in the lipid membrane. We estimate the effective diffusion coefficient of Q in the tunnel, and in turn the characteristic time for Q to reach the active site and for QH2 to escape to the membrane. Our simulations show that Q moves along the Q tunnel in a redox-state-dependent manner, with distinct binding sites formed by conserved residue clusters. The motion of Q to these binding sites is proposed to be coupled to the proton-pumping machinery in complex I.
We analyzed a eukaryotically encoded rubredoxin from the cryptomonad Guillardia theta and identified additional domains at the N- and C-termini in comparison to known prokaryotic paralogous molecules. The cryptophytic N-terminal extension was shown to be a transit peptide for intracellular targeting of the protein to the plastid, whereas a C-terminal domain represents a membrane anchor. Rubredoxin was identified in all tested phototrophic eukaryotes. Presumably facilitated by its C-terminal extension, nucleomorph-encoded rubredoxin (nmRub) is associated with the thylakoid membrane. Association with photosystem II (PSII) was demonstrated by co-localization of nmRub and PSII membrane particles and PSII core complexes and confirmed by comparative electron paramagnetic resonance measurements. The midpoint potential of nmRub was determined as +125 mV, which is the highest redox potential of all known rubredoxins. Therefore, nmRub provides a striking example of the ability of the protein environment to tune the redox potentials of metal sites, allowing for evolutionary adaption in specific electron transport systems, as for example that coupled to the PSII pathway.
Formation of Hubbard-like bands as a fingerprint of strong electron-electron interactions in FeSe
(2017)
We use angle-resolved photo-emission spectroscopy (ARPES) to explore the electronic structure of single crystals of FeSe over a wide range of binding energies and study the effects of strong electron-electron correlations. We provide evidence for the existence of "Hubbard-like bands" at high binding energies consisting of incoherent many-body excitations originating from Fe 3d states in addition to the renormalized quasiparticle bands near the Fermi level. Many high energy features of the observed ARPES data can be accounted for when incorporating effects of strong local Coulomb interactions in calculations of the spectral function via dynamical mean-field theory, including the formation of a Hubbard-like band. This shows that over the energy scale of several eV, local correlations arising from the on-site Coulomb repulsion and Hund's coupling are essential for a proper understanding of the electronic structure of FeSe and other related iron based superconductors.
The amount of proton stopping in central Pb+Pb collisions from 20–160 A GeV as well as hyperon and antihyperon rapidity distributions are calculated within the UrQMD model in comparison to experimental data at 40, 80, and 160 A GeV taken recently from the NA49 collaboration. Furthermore, the amount of baryon stopping at 160A GeV for Pb+Pb collisions is studied as a function of centrality in comparison to the NA49 data. We find that the strange baryon yield is reasonably described for central collisions, however, the rapidity distributions are somewhat more narrow than the data. Moreover, the experimental antihyperon rapidity distributions at 40, 80, and 160 A GeV are underestimated by up to factors of 3—depending on the annihilation cross section employed—which might be addressed to missing multimeson fusion channels in the UrQMD model. Pacs-Nr.: 25.75.2q, 24.10.Jv, 24.10.Lx
We derive the collision term in the Boltzmann equation using the equation of motion for the Wigner function of massive spin-1/2 particles. To next-to-lowest order in h, it contains a nonlocal contribution, which is responsible for the conversion of orbital into spin angular momentum. In a proper choice of pseudogauge, the antisymmetric part of the energy-momentum tensor arises solely from this nonlocal contribution. We show that the collision term vanishes in global equilibrium and that the spin potential is, then, equal to the thermal vorticity. In the nonrelativistic limit, the equations of motion for the energy-momentum and spin tensors reduce to the well-known form for hydrodynamics for micropolar fluids.
P-type ATPases are membrane proteins acting as ion pumps that drive an active transport of cations across the membrane against a concentration gradient. The required energy for the ion transport is provided by binding and hydrolysis of ATP. A reaction mechanism of ion transport and energy transduction is assumed to be common for all P-type ATPases and generally described by the Post-Albers cycle. Transient currents and charge translocation of P-type ATPases were extensively investigated by electrical measurements that apply voltage jumps to initiate the reaction cycle. In this study, we simulate an applied voltage across the membrane by an electric field and perform electrostatic calculations in order to verify the experimentally-driven hypothesis that the energy transduction mechanism is regulated by specific structural elements. Side chain conformational and ionization changes induced by the electric field are evaluated for each transmembrane helix and the selectivity in response is qualitatively analyzed for the Ca2+-ATPase as well as for structural models of the Na+/K+-ATPase. Helix M5 responds with more conformer changes as compared to the other transmembrane helices what is even more emphasized when the stalk region is included. Thus our simulations support experimental results and indicate a crucial role for the highly conserved transmembrane helix M5 in the energy transduction mechanism of P-type ATPases.
The neutron capture cross section of the s-process branch nucleus 63Ni affects the abundances of other nuclei in its region, especially 63Cu and 64Zn. In order to determine the energy-dependent neutron capture cross section in the astrophysical energy region, an experiment at the Los Alamos National Laboratory has been performed using the calorimetric 4πBaF2 array DANCE. The (n,γ) cross section of 63Ni has been determined relative to the well-known 197Au standard with uncertainties below 15%. Various 63Ni resonances have been identified based on the Q value. Furthermore, the s-process sensitivity of the new values was analyzed with the new network calculation tool NETZ.
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 two-nucleon potential is assumed to be a quadratic function of momentum: ν = ν1 (r) + pν2(r)p. The BETHE-GOLDSTONE equation (l = 0) has been solved for two different choices of ν. An analytical, approximate solution is obtained.
An elementary derivation of the optical potential for high energies is given. For the determination of the optical potential only the knowledge of the scattering amplitude for free nucleons and of the autocorrelation function for density fluctuations is necessary. The numerical calculation of the real- and imaginary part of the optical potential was performed using the Tabakin potential.
We present the application of an evolutionary genetic algorithm for the in situ optimization of nanostructures that are prepared by focused electron-beam-induced deposition (FEBID). It allows us to tune the properties of the deposits towards the highest conductivity by using the time gradient of the measured in situ rate of change of conductance as the fitness parameter for the algorithm. The effectiveness of the procedure is presented for the precursor W(CO)6 as well as for post-treatment of Pt–C deposits, which were obtained by the dissociation of MeCpPt(Me)3. For W(CO)6-based structures an increase of conductivity by one order of magnitude can be achieved, whereas the effect for MeCpPt(Me)3 is largely suppressed. The presented technique can be applied to all beam-induced deposition processes and has great potential for a further optimization or tuning of parameters for nanostructures that are prepared by FEBID or related techniques.
A small electrostatic storage ring is the central machine of the Frankfurt Ion Storage Experiments (FIRE) which will be built at the new Stern-Gerlach Center of Frankfurt University. As a true multiuser, multipurpose facility with ion energies up to 50 keV, it will allow new methods to analyze complex many-particle systems from atoms to very large biomolecules. With envisaged storage times of some seconds and beam emittances in the order of a few mm mrad, measurements with up to 6 orders of magnitude better resolutions as compared to single-pass experiments become possible. In comparison to earlier designs, the ring lattice was modified in many details: Problems in earlier designs were related to, e.g., the detection of light particles and highly charged ions with different charge states. Therefore, the deflectors were redesigned completely, allowing a more flexible positioning of the diagnostics. Here, after an introduction to the concept of electrostatic machines, an overview of the planned FIRE is given and the ring lattice and elements are described in detail.
For a chaotic system pairs of initially close-by trajectories become eventually fully uncorrelated on the attracting set. This process of decorrelation can split into an initial exponential decrease and a subsequent diffusive process on the chaotic attractor causing the final loss of predictability. Both processes can be either of the same or of very different time scales. In the latter case the two trajectories linger within a finite but small distance (with respect to the overall extent of the attractor) for exceedingly long times and remain partially predictable. Standard tests for chaos widely use inter-orbital correlations as an indicator. However, testing partially predictable chaos yields mostly ambiguous results, as this type of chaos is characterized by attractors of fractally broadened braids. For a resolution we introduce a novel 0-1 indicator for chaos based on the cross-distance scaling of pairs of initially close trajectories. This test robustly discriminates chaos, including partially predictable chaos, from laminar flow. Additionally using the finite time cross-correlation of pairs of initially close trajectories, we are able to identify laminar flow as well as strong and partially predictable chaos in a 0-1 manner solely from the properties of pairs of trajectories.