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We study the μ-μ45-T phase diagram of the 2+1-dimensional Gross-Neveu model, where μ denotes the ordinary chemical potential, μ45 the chiral chemical potential and T the temperature. We use the mean-field approximation and two different lattice regularizations with naive chiral fermions. An inhomogeneous phase at finite lattice spacing is found for one of the two regularizations. Our results suggest that there is no inhomogeneous phase in the continuum limit. We show that a chiral chemical potential is equivalent to an isospin chemical potential. Thus, all results presented in this work can also be interpreted in the context of isospin imbalance.
We explore the phase structure of the 1+1 dimensional Gross-Neveu model at finite number of fermion flavors using lattice field theory. Besides a chirally symmetric phase and a homogeneously broken phase we find evidence for the existence of an inhomogeneous phase, where the condensate is a spatially oscillating function. Our numerical results include a crude μ-T phase diagram.
Inhomogeneous condensation in the Gross-Neveu model in noninteger spatial dimensions 1 ≤ d < 3
(2023)
The Gross-Neveu model in the N→∞ approximation in d=1 spatial dimensions exhibits a chiral inhomogeneous phase (IP), where the chiral condensate has a spatial dependence that spontaneously breaks translational invariance and the Z2 chiral symmetry. This phase is absent in d=2, while in d=3 its existence and extent strongly depends on the regularization and the value of the finite regulator. This work connects these three results smoothly by extending the analysis to non-integer spatial dimensions 1≤d<3, where the model is fully renormalizable. To this end, we adapt the stability analysis, which probes the stability of the homogeneous ground state under inhomogeneous perturbations, to non-integer spatial dimensions. We find that the IP is present for all d<2 and vanishes exactly at d=2. Moreover, we find no instability towards an IP for 2≤d<3, which suggests that the IP in d=3 is solely generated by the presence of a regulator.
Inhomogeneous condensation in the Gross-Neveu model in non-integer spatial dimensions 1 ≤ d < 3
(2023)
he Gross-Neveu model in the N→∞ approximation in d=1 spatial dimensions exhibits a chiral inhomogeneous phase (IP), where the chiral condensate has a spatial dependence that spontaneously breaks translational invariance and the Z2 chiral symmetry. This phase is absent in d=2, while in d=3 its existence and extent strongly depends on the regularization and the value of the finite regulator. This work connects these three results smoothly by extending the analysis to non-integer spatial dimensions 1≤d<3, where the model is fully renormalizable. To this end, we adapt the stability analysis, which probes the stability of the homogeneous ground state under inhomogeneous perturbations, to non-integer spatial dimensions. We find that the IP is present for all d<2 and vanishes exactly at d=2. Moreover, we find no instability towards an IP for 2≤d<3, which suggests that the IP in d=3 is solely generated by the presence of a regulator.
Strontium ruthenate Sr2RuO4 is an unconventional superconductor whose pairing symmetry has not been fully clarified, despite more than two decades of intensive research. Recent NMR Knight shift experiments have rekindled the Sr2RuO4 pairing debate by giving strong evidence against all odd-parity pairing states, including chiral p-wave pairing that was for a long time the leading pairing candidate. Here, we exclude additional pairing states by analyzing recent elastocaloric measurements [YS. Li et al., Nature 607, 276--280 (2022)]. To be able to explain the elastocaloric experiment, we find that unconventional even-parity pairings must include either large dx2−y2-wave or large {dxz∣dyz}-wave admixtures, where the latter possibility arises because of the body-centered point group symmetry. These {dxz∣dyz}-wave admixtures take the form of distinctively body-centered-periodic harmonics that have horizontal line nodes. Hence gxy(x2−y2)-wave and dxy-wave pairings are excluded as possible dominant even pairing states.
Strontium ruthenate Sr2RuO4 is an unconventional superconductor whose pairing symmetry has not been fully clarified, despite more than two decades of intensive research. Recent NMR Knight shift experiments have rekindled the Sr2RuO4 pairing debate by giving strong evidence against all odd-parity pairing states, including chiral p-wave pairing that was for a long time the leading pairing candidate. Here, we exclude additional pairing states by analyzing recent elastocaloric measurements [YS. Li et al., Nature 607, 276--280 (2022)]. To be able to explain the elastocaloric experiment, we find that unconventional even-parity pairings must include either large dx2−y2-wave or large {dxz∣dyz}-wave admixtures, where the latter possibility arises because of the body-centered point group symmetry. These {dxz∣dyz}-wave admixtures take the form of distinctively body-centered-periodic harmonics that have horizontal line nodes. Hence gxy(x2−y2)-wave and dxy-wave pairings are excluded as possible dominant even pairing states.
The effects of internal quark structure of baryons on the composition and structure of neutron star matter with hyperons are investigated in the quark- meson coupling (QMC) model. The QMC model is based on mean-field description of nonoverlapping spherical bags bound by self-consistent exchange of scalar and vector mesons. The predictions of this model are compared with quantum hadrodynamic (QHD) model calibrated to reproduce identical nuclear matter saturation properties. By employing a density dependent bag constant through direct coupling to the scalar field, the QMC model is found to exhibit identical properties as QHD near saturation density. Furthermore, this modified QMC model provides well-behaved and continuous solutions at high densities relevant to the core of neutron stars. Two additional strange mesons are introduced which couple only to the strange quark in the QMC model and to the hyperons in the QHD model. The constitution and structure of stars with hyperons in the QMC and QHD models reveal interesting di erences. This suggests the importance of quark structure e ects in the baryons at high densities. PACS number(s): 26.60.+c, 21.65.+f, 12.39.Ba, 24.85.+p
We investigate in stable strange hadronic matter (SHM) the modifica- tion of the masses of the scalar (sigma,sigma') and the vector (omega,phi) mesons. The baryon ground state is treated in the relativistic Hartree approximation in the nonlinear sigma-omega and linear sigma'- phi model. In stable SHM, the masses of all the mesons reveal considerable reduction due to large vacuum polarization contribution from the hyperons and small density dependent effects caused by larger binding. PACS: 21.65+f, 24.10Jv
We introduce a model for the real-time evolution of a relativistic fluid of quarks coupled to non-equilibrium dynamics of the long wavelength (classical) modes of the chiral condensate. We solve the equations of motion numerically in 3+1 spacetime dimensions. Starting the evolution at high temperature in the symmetric phase, we study dynamical trajectories that either cross the line of first-order phase transitions or evolve through its critical endpoint. For those cases, we predict the behavior of the azimuthal momentum asymmetry for highenergy heavy-ion collisions at nonzero impact parameter.
We investigate the excitation function of directed flow, which can provide a clear signature of the creation of the QGP and demonstrate that the minimum of the directed flow does not correspond to the softest point of the EoS for isentropic expansion. A novel technique measuring the compactness is introduced to determine the QGP transition in relativistic-heavy ion collisions: The QGP transition will lead to higher compression and therefore to higher compactness of the source in coordinate space. This e ect can be observed by pion interferometry. We propose to measure the compactness of the source in the appropriate principal axis frame of the compactness tensor in coordinate space.
Compactness is introduced as a new method to search for the onset of the quark matter transition in relativistic heavy ion collisions. That transition supposedly leads to stronger compression and higher compactness of the source in coordinate space. That effect could be observed via pion interferometry. We propose to measure the compactness of the source in the appropriate principal axis frame of the compactness tensor in coordinate space.
Molecular mechanisms of inorganic-phosphate release from the core and barbed end of actin filaments
(2023)
The release of inorganic phosphate (Pi) from actin filaments constitutes a key step in their regulated turnover, which is fundamental to many cellular functions. However, the molecular mechanisms underlying Pi release from both the core and barbed end of actin filaments remain unclear. Here, we combine cryo-EM with molecular dynamics simulations and in vitro reconstitution to demonstrate how actin releases Pi through a ‘molecular backdoor’. While constantly open at the barbed end, the backdoor is predominantly closed in filament-core subunits and only opens transiently through concerted backbone movements and rotameric rearrangements of residues close to the nucleotide binding pocket. This mechanism explains why Pi escapes rapidly from the filament end and yet slowly from internal actin subunits. In an actin variant associated with nemaline myopathy, the backdoor is predominantly open in filament-core subunits, resulting in greatly accelerated Pi release after polymerization and filaments with drastically shortened ADP-Pi caps. This demonstrates that the Pi release rate from F-actin is controlled by steric hindrance through the backdoor rather than by the disruption of the ionic bond between Pi and Mg2+ at the nucleotide-binding site. Our results provide the molecular basis for Pi release from actin and exemplify how a single, disease-linked point mutation distorts the nucleotide state distribution and atomic structure of the actin filament.
A considerable effort has been dedicated recently to the construction of generic equations of state (EOSs) for matter in neutron stars. The advantage of these approaches is that they can provide model-independent information on the interior structure and global properties of neutron stars. Making use of more than 106 generic EOSs, we asses the validity of quasi-universal relations of neutron star properties for a broad range of rotation rates, from slow-rotation up to the mass-shedding limit. In this way, we are able to determine with unprecedented accuracy the quasi-universal maximum-mass ratio between rotating and nonrotating stars and reveal the existence of a new relation for the surface oblateness, i.e., the ratio between the polar and equatorial proper radii. We discuss the impact that our findings have on the imminent detection of new binary neutron-star mergers and how they can be used to set new and more stringent limits on the maximum mass of nonrotating neutron stars, as well as to improve the modelling of the X-ray emission from the surface of rotating stars.
Nuclear pore complexes (NPCs) mediate nucleocytoplasmic transport. Their intricate 120 MDa architecture remains incompletely understood. Here, we report a near-complete structural model of the human NPC scaffold with explicit membrane and in multiple conformational states. We combined AI-based structure prediction with in situ and in cellulo cryo-electron tomography and integrative modeling. We show that linker Nups spatially organize the scaffold within and across subcomplexes to establish the higher-order structure. Microsecond-long molecular dynamics simulations suggest that the scaffold is not required to stabilize the inner and outer nuclear membrane fusion, but rather widens the central pore. Our work exemplifies how AI-based modeling can be integrated with in situ structural biology to understand subcellular architecture across spatial organization levels.
Using a microscopic transport model together with a coalescence after-burner, we study the formation of deuterons in Au + Au central collisions at s = 200 AGeV . It is found that the deuteron transverse momentum distributions are strongly a ected by the nucleon space-momentum correlations, at the moment of freeze-out, which are mostly determined by the number of rescatterings. This feature is useful for studying collision dynamics at ultrarelativistic energies.
A non-monotonic energy dependence of the K + / pi + ratio with a sharp maximum close to 30 A GeV is observed in central Pb+Pb collisions. Within a statistical model of the early stage, this is interpreted as a sign of the phase transition to a QGP, which causes a sharp change in the energy dependence of the strangeness to entropy ratio. This observation naturally motivates us to study the production of multistrange hyperons (Xi, Omega) as a function of the beam energy. Furthermore it was suggested that the kinematic freeze-out of Omega takes place directly at QGP hadronization. If this is indeed the case, the transverse momentum spectra of the Omega directly reflect the transverse expansion velocity of a hadronizing QGP. In this report we show preliminary NA49 results on Omega - and Omega + production in central Pb+Pb collisions at 40 and 158 A GeV and compare them to measurements of Xi - and Xi + production in central Pb+Pb collisions at 30, 40, 80 and 158 A GeV.
We compare different models for hadronic and quark phases of cold baryon rich matter in an attempt to find a deconfinement phase transition between them. For the hadronic phase we consider Walecka type mean field models which describe well the nuclear saturation properties. We also use the variational chain model which takes into account correlation effects. For the quark phase we consider the MIT bag model, the Nambu Jona-Lasinio and the massive quasiparticle models. By comparing pressure as a function of baryon chemical potential we find that crossings of hadronic and quark branches are possible only in some exceptional cases while for most realistic parameter sets these branches do not cross at all. Moreover, the chiral phase transition, often discussed within the framework of QCD motivated models, lies in the region where the quark phases are unstable with respect to the hadronic phase. We discuss possible physical consequences of these findings.
Chemically non equilibrated quark antiquark matter is studied within the Nambu Jona-Lasinio model. The equations of state of non strange (q = u, d) and strange (q = s) qq systems are calculated in the mean field approximation. The existence of metastable bound states with zero pressure is predicted at finite densities and temperatures T 50 MeV. It is shown that the minimum energy per particle occurs for symmetric systems, with equal densities of quarks and antiquarks. At T = 0 these metastable states have quark number densities of about 0.5 fm 3 for q = u, d and of 1 fm 3 for q = s. A first order chiral phase transition is found at finite densities and temperatures. The critical temperature for this phase transition is approximately 75 MeV (90 MeV) for the non strange (strange) baryon free quark antiquark matter. For realistic choices of parameters, the model does not predict a phase transition in chemically equilibrated systems. Possible decay channels of the metastable qq droplets and their signatures in relativistic heavy ion collisions are discussed.
Properties of dense quark matter in and out of chemical equilibrium are studied within the SU(3) Nambu Jona-Lasinio model. In addition to the 4 fermion scalar and vector terms the model includes also the 6 fermion flavour mixing interaction. First we study a novel form of deconfined matter, meso-matter, which is composed of equal number of quarks and antiquarks. It can be thought of as a strongly compressed meson gas where mesons are melted into their elementary constituents, quarks and antiquarks. Strongly bound states in this quark antiquark matter are predicted for all flavour combinations of qq pairs. The maximum binding energy reaches up to 180 MeV per qq pair for mixtures with about 70% of strange (s¯s) pairs. Equilibrated baryon rich quark matter with various flavour compositions is also studied. In this case only shallow bound states appear in systems with a significant admixture(about 40%) of strange quarks (strangelets). Their binding energies are quite sensitive to the relative strengths of scalar and vector interactions. The common property of all these bound states is that they appear at high particle densities when the chiral symmetry is nearly restored. Thermal properties of meso-matter as well as chemically equilibrated strange quark matter are also investigated. Possible decay modes of these bound states are discussed.
We study the bremsstrahlung of virtual omega mesons due to the collective deceleration of nuclei at the initial stage of an ultrarelativistic heavy ion collision. It is shown that electromagnetic decays of these mesons may give an important contribution to the observed yields of dileptons. Mass spectra of e+e and µ+µ pairs produced in central Au+Au collisions are calculated under some simplifying assumptions on the space time variation of the baryonic current in a nuclear collision process. Comparison with the CERES data for 160 AGev Pb+Au collisions shows that the proposed mechanism gives a noticeable fraction of the observed e+e pairs in the intermediate region of invariant masses. Sensi tivity of the dilepton yield to the in medium modification of masses and widths of vector mesons is demonstrated.
According to the Walecka mean field theory of nuclear interaction the collective mutual deceleration of the colliding nuclei gives rise to the bremsstrahlung of real and virtual ! mesons. It is shown that decays of these mesons may give a noticeable contribution to the observed yields of the baryon antibaryon pairs, dileptons and pions. Excitation functions and rapidity distributions of particles produced by this mechanism are calculated under some simplifying assumptions about the space time variation of meson fields in nuclear collisions. The calculated multiplicities of coherently produced particles grow fast with the bombarding energy, reaching a saturation above the RHIC bombarding energy. In the case of central Au+Au collisions the bremsstrahlung mechanism becomes comparable with particle production in incoherent hadron hadron collisions above the AGS energies. The rapidity spectra of antibaryons and pions exhibit a characteristic two hump structure which is a consequence of incomplete projectile target stopping at the initial stage of the reaction. The predicted distribution of e+e pairs has a strong peak at invariant masses Me+e < 0.5 GeV.
Collective bremsstrahlung of vector meson fields in relativistic nuclear collisions is studied within the time dependent Walecka model. Mutual deceleration of the colliding nuclei is described by introducing the e ective stopping time and average rapidity loss of baryons. It is shown that electromagnetic decays of virtual ω mesons produced by bremsstrahlung mechanism can provide a substantial contribution to the soft dilepton yield at the SPS bombarding energies. In particular, it may be responsible for the dilepton enhancement observed in 160 AGev central Pb+Au collisions. Suggestions for future experiments to estimate the relative contribution of the collective mechanism are given.
Equation of state of baryon rich quark matter is studied within the SU(3) Nambu Jona-Lasinio model with flavour mixing interaction. Possible bound states (strangelets) and chiral phase transitions in this matter are investigated at various values of strangeness fraction rs. The model predictions are very sensitive to the ratio of vector and scalar coupling constants, ¾ = GV /GS. At ¾ = 0.5 and zero temperature the maximum binding energy (about 15 MeV per baryon) takes place at rs C 0.4. Such strangelets are negatively charged and have typical life times < 10 7 s. The calculations are carried out also at finite temperatures. They show that bound states exist up to temperatures of about 15 MeV. The model predicts a first order chiral phase transition at finite baryon densities. The parameters of this phase transition are calculated as a function of rs.
Antibaryons bound in nuclei
(2004)
We study the possibility of producing a new kind of nuclear systems which in addition to ordinary nucleons contain a few antibaryons (B = p, , etc.). The properties of such systems are described within the relativistic mean field model by employing G parity transformed interactions for antibaryons. Calculations are first done for infinite systems and then for finite nuclei from 4He to 208Pb. It is demonstrated that the presence of a real antibaryon leads to a strong rearrangement of a target nucleus resulting in a significant increase of its binding energy and local compression. Noticeable e ects remain even after the antibaryon coupling constants are reduced by factor 3 4 compared to G parity motivated values. We have performed detailed calculations of the antibaryon annihilation rates in the nuclear environment by applying a kinetic approach. It is shown that due to significant reduction of the reaction Q values, the in medium annihilation rates should be strongly suppressed leading to relatively long lived antibaryon nucleus systems. Multi nucleon annihilation channels are analyzed too. We have also estimated formation probabilities of bound B + A systems in pA reactions and have found that their observation will be feasible at the future GSI antiproton facility. Several observable signatures are proposed. The possibility of producing multi quark antiquark clusters is discussed. PACS numbers: 25.43.+t, 21.10.-k, 21.30.Fe, 21.80.+a
We study properties of compact stars with the deconfinement phase transition in their interiors. The equation of state of cold baryon-rich matter is constructed by combining a relativistic mean-field model for the hadronic phase and the MIT Bag model for the deconfined phase. In a narrow parameter range two sequences of compact stars (twin stars), which differ by the size of the quark core, have been found. We demonstrate the possibility of a rapid transition between the twin stars with the energy release of about 10 ^52 ergs. This transition should be accompanied by the prompt neutrino burst and the delayed gamma-ray burst.
The in-medium properties of the vector mesons are known to be modified significantly in hot and dense hadronic matter due to vacuum polarisation e ects from the baryon sector in the Walecka model. The vector meson mass drops significantly in the medium due to the e ects of the Dirac sea. In the variational approach adopted in the present paper, these e ects are taken into account through a realignment of the ground state with baryon condensates. Such a realignment of the ground state becomes equivalent to summing of the baryonic tadpole diagrams in the relativistic Hartree approximation (RHA). The approximation scheme adopted here goes beyond RHA to include quantum e ects from the scalar meson and is nonperturbative and self consistent. It includes multiloop e ects, thus corresponding to a di erent approximation as compared to the one loop approximation of including scalar field quantum corrections. In the present work, we study the properties of the vector mesons in the hot and dense matter as modified due to such quantum correction e ects from the baryon as well as scalar meson sectors. These medium modifications of the properties of the vector mesons are reflected, through the shifting and broadening of the respective peaks, in the low mass dilepton spectra. There is broadening of the peaks due to corrections from scalar meson quantum e ects as compared to the relativistic Hartree approximation. It is seen to be rather prominent for the ! meson in the invariant mass plot. PACS number: 21.65.+f,12.40.Yx
We evaluate the in-medium D and -meson masses in hot hadronic matter induced by interactions with the light hadron sector described in a chiral SU(3) model. The e ective Lagrangian approach is generalized to SU(4) to include charmed mesons. We find that the D-mass drops substantially at finite temperatures and densities, which open the channels of the decay of the charmonium states ( 2, c, J/ ) to D pairs in the thermal medium. The e ects of vacuum polarisations from the baryon sector on the medium modification of the D-meson mass relative to those obtained in the mean field approximation are investigated. The results of the present work are compared to calculations based on the QCD sum-rule approach, the quark-meson coupling model, chiral perturbation theory, as well as to studies of quarkonium dissociation using heavy quark potential from lattice QCD.
Abstract: The medium modification of kaon and antikaon masses, compatible with low energy KN scattering data, are studied in a chiral SU(3) model. The mutual interactions with baryons in hot hadronic matter and the e ects from the baryonic Dirac sea on the K( ¯K ) masses are examined. The in-medium masses from the chiral SU(3) e ective model are compared to those from chiral perturbation theory. Furthermore, the influence of these in-medium e ects on kaon rapidity distributions and transverse energy spectra as well as the K, ¯K flow pattern in heavy-ion collision experiments at 1.5 to 2 A·GeV are investigated within the HSD transport approach. Detailed predictions on the transverse momentum and rapidity dependence of directed flow v1 and the elliptic flow v2 are provided for Ni+Ni at 1.93 A·GeV within the various models, that can be used to determine the in-medium K± properties from the experimental side in the near future.
Abstract: The e ect of vacuum fluctuations on the in-medium hadronic properties is investigated using a chiral SU(3) model in the nonlinear realization. The e ect of the baryon Dirac sea is seen to modify hadronic properties and in contrast to a calculation in mean field approximation it is seen to give rise to a significant drop of the vector meson masses in hot and dense matter. This e ect is taken into account through the summation of baryonic tadpole diagrams in the relativistic Hartree approximation (RHA), where the baryon self energy is modified due to interactions with both the non-strange ( ) and the strange ( ) scalar fields.
In this paper we present recent results from the NA49 experiment for Lambda and Lambda hyperons produced in central Pb+Pb collisions at 40, 80 and 158 A GeV. Transverse mass spectra and rapidity distributions for Lambda are shown for all three energies. The shape of the rapidity distribution becomes flatter with increasing beam energy. The multiplicities at mid-rapidity as well as the total yields are studied as a function of collision energy including AGS measurements. The ratio Lambda/pi at mid-rapidity and in 4 pi has a maximum around 40 A GeV. In addition, Lambda rapidity distributions have been measured at 40 and 80 A GeV, which allows to study the Lambda Lambda ratio.
Rapidity distributions for $\Lambda$ and $\bar{\Lambda}$ hyperons in central Pb-Pb collisions at 40, 80 and 158 A$\cdot$GeV and for ${\rm K}_{s}^{0}$ mesons at 158 A$\cdot$GeV are presented. The lambda multiplicities are studied as a function of collision energy together with AGS and RHIC measurements and compared to model predictions. A different energy dependence of the $\Lambda/\pi$ and $\bar{\Lambda}/\pi$ is observed. The $\bar{\Lambda}/\Lambda$ ratio shows a steep increase with collision energy. Evidence for a $\bar{\Lambda}/\bar{\rm p}$ ratio greater than 1 is found at 40 A$\cdot$GeV.
Rapidity distributions for Lambda and anti-Lambda hyperons in central Pb-Pb collisions at 40, 80 and 158 AGeV and for K 0 s mesons at 158 AGeV are presented. The lambda multiplicities are studied as a function of collision energy together with AGS and RHIC measurements and compared to model predictions. A different energy dependence of the Lambda/pi and anti-Lambda/pi is observed. The anti-Lambda/Lambda ratio shows a steep increase with collision energy. Evidence for a anti-Lambda/anti-p ratio greater than 1 is found at 40 AGeV.
The existence of bound states induced by local impurities coupled to an insulating host depends decisively on the global topological properties of the host's electronic structure. In this context, we consider magnetic impurities modelled as classical unit-length spins that are exchange-coupled to the spinful Haldane model on the honeycomb lattice. We investigate the spectral flow of bound states with the coupling strength J in both the topologically trivial and Chern-insulating phases. In addition to conventional k-space topology, an additional, spatially local topological feature is available, based on the space of impurity-spin configurations forming, in case of R impurities, an R-fold direct product of two-dimensional spheres. Global k-space and local S-space topology are represented by different topological invariants, the first (k-space) Chern number and the R-th (S-space) spin-Chern number. We demonstrate that there is a local S-space topological transition as a function of J associated with a change in the spin Chern number and work out the implications of this for the J-dependent local electronic structure close to the impurities and, in particular, for in-gap bound states. The critical exchange couplings' dependence on the parameters of the Haldane model, and thus on the k-space topological state, is obtained numerically to construct local topological phase diagrams for systems with R=1 and R=2 impurity spins.
Using CORSIKA for simulating extensive air showers, we study the relation between the shower characteristics and features of hadronic multiparticle production at low energies. We report about investigations of typical energies and phase space regions of secondary particles which are important for muon production in extensive air showers. Possibilities to measure relevant quantities of hadron production in existing and planned accelerator experiments are discussed.
Binding of the spike protein of SARS-CoV-2 to the human angiotensin converting enzyme 2 (ACE2) receptor triggers translocation of the virus into cells. Both the ACE2 receptor and the spike protein are heavily glycosylated, including at sites near their binding interface. We built fully glycosylated models of the ACE2 receptor bound to the receptor binding domain (RBD) of the SARS-CoV-2 spike protein. Using atomistic molecular dynamics (MD) simulations, we found that the glycosylation of the human ACE2 receptor contributes substantially to the binding of the virus. Interestingly, the glycans at two glycosylation sites, N90 and N322, have opposite effects on spike protein binding. The glycan at the N90 site partly covers the binding interface of the spike RBD. Therefore, this glycan can interfere with the binding of the spike protein and protect against docking of the virus to the cell. By contrast, the glycan at the N322 site interacts tightly with the RBD of the ACE2-bound spike protein and strengthens the complex. Remarkably, the N322 glycan binds into a conserved region of the spike protein identified previously as a cryptic epitope for a neutralizing antibody. By mapping the glycan binding sites, our MD simulations aid in the targeted development of neutralizing antibodies and SARS-CoV-2 fusion inhibitors.
Nuclear clusters as a probe for expansion flow in heavy ion reactions at 10-A/GeV - 15-A/GeV.
(1996)
A phase space coalescence description based on the Wigner-function method for cluster formation in relativistic nucleus-nucleus collisions is presented. The momentum distributions of nuclear clusters d,t and He are predicted for central Au(11.6AGeV)Au and Si(14.6AGeV)Si reactions in the framework of the RQMD transport approach. Transverse expansion leads to a strong shoulderarm shape and di erent inverse slope parameters in the transverse spectra of nuclear clusters deviating markedly from thermal distributions. A clear bounce-o event shape is seen: the averaged transverse flow velocities in the reaction plane are for clusters larger than for protons. The cluster yields particularly at low pt at midrapidities and the in-plane (anti)flow of clusters and pions change if suitably strong baryon potential interactions are included. This allows to study the transient pressure at high density via the event shape analysis of nucleons, nucleon clusters and other hadrons.
The spike protein of SARS-CoV-2 is a highly flexible membrane receptor that triggers the translocation of the virus into cells by attaching to the human receptors. Like other type I membrane receptors, this protein has several extracellular domains connected by flexible hinges. The presence of these hinges results in high flexibility, which consequently results in challenges in defining the conformation of the protein. Here, We developed a new method to define the conformational space based on a few variables inspired by the robotic field’s methods to determine a robotic arm’s forward kinematics. Using newly performed atomistic molecular dynamics (MD) simulations and publicly available data, we found that the Denavit-Hartenberg (DH) parameters can reliably show the changes in the local conformation. Furthermore, the rotational and translational components of the homogenous transformation matrix constructed based on the DH parameters can identify the changes in the global conformation of the spike and also differentiate between the conformation with a similar position of the spike head, which other types of parameters, such as spherical coordinates, fail to distinguish between such conformations. Finally, the new method will be beneficial for looking at the conformational heterogeneity in all other type I membrane receptors.
We develop a relativistic model to describe the bound states of positive energy and negative energy in finite nuclei at the same time. Instead of searching for the negative-energy solution of the nucleon s Dirac equation, we solve the Dirac equations for the nucleon and the anti-nucleon simultaneously. The single-particle energies of negative-energy nucleons are obtained through changing the sign of the single-particle energies of positive-energy anti-nucleons. The contributions of the Dirac sea to the source terms of the meson fields are evaluated by means of the derivative expansion up to the leading derivative order for the one-meson loop and one-nucleon loop. After refitting the parameters of the model to the properties of spherical nuclei, the results of positive-energy sector are similar to that calculated within the commonly used relativistic mean field theory under the no-sea approximation. However, the bound levels of negative-energy nucleons vary drastically when the vacuum contributions are taken into account. It implies that the negative-energy spectra deserve a sensitive probe to the e ective interactions in addition to the positive-energy spectra.
We develop a relativistic model to describe the bound states of positive energy and negative energy in finite nuclei at the same time. Instead of searching for the negative-energy solution of the nucleon's Dirac equation, we solve the Dirac equations for the nucleon and the anti-nucleon simultaneously. The single-particle energies of negative-energy nucleons are obtained through changing the sign of the single-particle energies of positive-energy anti-nucleons. The contributions of the Dirac sea to the source terms of the meson fields are evaluated by means of the derivative expansion up to the leading derivative order for the one-meson loop and one-nucleon loop. After refitting the parameters of the model to the properties of spherical nuclei, the results of positive-energy sector are similar to that calculated within the commonly used relativistic mean field theory under the no-sea approximation. However, the bound levels of negative-energy nucleons vary drastically when the vacuum contributions are taken into account. It implies that the negative-energy spectra deserve a sensitive probe to the effective interactions in addition to the positive-energy spectra.
A new chiral SU(3) Lagrangian is proposed to describe the properties of kaons and anti-kaons in the nuclear medium. The saturation properties of nuclear matter are reproduced as well as the results of the Dirac-Brückner theory. After introducing the coupling between the omega meson and the kaon, our results for e ective kaon and anti-kaon energy are quite similar as calculated in the one-boson-exchange model.
A new chiral SU(3) Lagrangian is proposed to describe the properties of kaons and antikaons in the nuclear medium, the ground state of dense matter and the kaon-nuclear interactions consistently. The saturation properties of nuclear matter are reproduced as well as the results of the Dirac-Brückner theory. After taking into account the coupling between the omega meson and the kaon, we obtain similar results for the e ective kaon and antikaon energies as calculated in the one-boson-exchange model while in our model the parameters of the kaon-nuclear interactions are constrained by the SU(3) chiral symmetry. PACS number(s): 14.40.Aq, 12.39.Fe, 21.30.Fe
A self-consistent relativistic integral-di erential equation of the Boltzmann- Uehling-Uhlenbeck-type for the N*(1440) resonance is developed based on an effective Lagrangian of baryons interacting through mesons. The closed time-path Green s function technique and semi-classical, quasi-particle and Born approxima- tions are employed in the derivation. The non-equilibrium RBUU-type equation for the N*(1440) is consistent with that of nucleon s and delta s which we derived before. Thus, we obtain a set of coupled equations for the N,Delta and N*(1440) distribution functions. All the N (1440)-relevant in-medium two-body scattering cross sections within the N,Delta and N*(1440) system are derived from the same effective Lagrangian in addition to the mean field and presented analytically, which can be directly used in the study of relativistic heavy-ion collisions. The theoreticalprediction of the free pp - pp* (1440) cross section is in good agreement with the experimental data. We calculate the in-medium N+N - N+N* , N* +N - N+N and N*+N - N* +N cross sections in cold nuclear matter up to twice the nuclear matter density. The influence of different choices of the N* N* coupling strengths, which can not be obtained through fitting certain experimental data, are discussed. The results show that the density dependence of predicted in-medium cross sections are sensitive to the N* N* coupling strengths used. An evident density dependence will appear when a large scalar coupling strength of g^(sigma) N*N* is assumed. PACS number(s): 24.10.Cn; 25.70.-z; 21.65.+f
A self-consistent relativistic Boltzmann-Uehling-Uhlenbeck equation for the N (1440) resonance is developed based on an effective Lagrangian of baryons interacting through mesons. The equation is consistent with that of nucleon s and delta s which we derived before. Thus, we obtain a set of coupled equations for the N, Delta and N (1440) distribution functions. All the N (1440)-relevant in-medium two-body scattering cross sections within the N, Delta and N (1440) system are derived from the same effective Lagrangian in addition to the mean field and presented analytically. Medium effects on the cross sections are discussed.
We derive the self-consistent relativistic quantum transport equation for the pion distribution function based on an effective Lagrangian of the QHD-II model. The closed time-path Green's function technique, the semi-classical, quasi-particle and Born approximation are employed in the derivation. Both the mean field and collision term are derived from the same Lagrangian and presented analytically. The dynamical equation for the pions is consistent with that for the nucleons and deltas which we developed before. Thus, we obtain a self-consistent relativistic transport model which describes the hadronic matter with N, Delta and pi degrees of freedom simultaneously. Within this approach, we investigate the medium effects on the pion dispersion relation as well as the pion absorption and pion production channels in cold nuclear matter. In contrast to the results of the non-relativistic model, the pion dispersion relation becomes harder at low momenta and softer at high momenta as compared to the free one. The theoretically predicted free pi N to Delta cross section is in agreement with the experimental data. Medium effects on the pi N to Delta cross section and momentum-dependent Delta-decay width are shown to be substantial.
Relativistic quantum transport theory of hadronic matter: the coupled nucleon, delta and pion system
(1998)
We derive the relativistic quantum transport equation for the pion distribution function based on an effective Lagrangian of the QHD-II model. The closed time-path Green s function technique, the semi-classical, quasiparticle and Born approximation are employed in the derivation. Both the mean field and collision term are derived from the same Lagrangian and presented analytically. The dynamical equation for the pions is consistent with that for the nucleons and deltas which we developed before. Thus, we obtain a relativistic transport model which describes the hadronic matter with N,Delta and pi degrees of freedom simultaneously. Within this approach, we investigate the medium e ects on the pion dispersion relation as well as the pion absorption and pion production channels in cold nuclear matter. In contrast to the results of the non-relativistic model, the pion dispersion relation becomes harder at low momenta and softer at high momenta as compared to the free one, which is mainly caused by the relativistic kinetics. The theoretically predicted free pi*N -> Delta cross section is in agreement with the experimental data. Medium e ects on the pi*N -> Delta cross section and momentum-dependent Delta-decay width are shown to be substantial. PACS number(s): 24.10.Cn; 13.75.Cs; 21.65.+f; 25.70.-z
The interaction between the Heat Shock Proteins 70 and 40 is at the core of the ATPase regulation of the chaperone machinery that maintains protein homeostasis. However, the structural details of this fundamental interaction are still elusive and contrasting models have been proposed for the transient Hsp70/Hsp40 complexes. Here we combine molecular simulations based on both coarsegrained and atomistic models with co-evolutionary sequence analysis to shed light on this problem by focusing on the bacterial DnaK/DnaJ system. The integration of these complementary approaches resulted into a novel structural model that rationalizes previous experimental observations. We identify an evolutionary-conserved interaction surface formed by helix II of the DnaJ J-domain and a groove on lobe IIA of the DnaK nucleotide binding domain, involving the inter-domain linker.
Freeze out of particles across three dimensional space-time hypersurface is discussed in a simple kinetic model. The final momentum distribution of emitted particles, for freeze out surfaces with space-like normal, shows a non-exponential transverse momentum spectrum. The slope parameter of the pt distribution increases with increasing pt, in agreement with recently measured SPS pion and h spectra.
In continuum and fluid dynamical models, particles, which leave the system and reach the detectors, can be taken into account via freeze-out (FO) or final break-up schemes, where the frozen out particles are formed on a 3-dimensional hypersurface in space-time. Such FO descriptions are important ingredients of evaluations of two-particle correlation data, transverse-, longitudinal-, radial- and cylindrical- flow analyses, transverse momentum and transverse mass spectra and many other observables. The FO on a hypersurface is a discontinuity, where the pre FO equilibrated and interacting matter abruptly changes to non-interacting particles, showing an ideal gas type of behavior.
Kinetic freeze out models
(1999)
Freeze out of particles across a space-time hypersurface is discussed in kinetic models. The calculation of final momentum distribution of emitted particles is described for freeze out surfaces, with spacelike normals. The resulting non-equilibrium distribution does not resemble, the previously proposed, cut Jüttner distribution, and shows non-exponential pt-spectra similar to the ones observed in experiments. PACS: 24.10.Nz, 25.75.-q
We introduce a smooth mapping of some discrete space-time symmetries into quasi-continuous ones. Such transformations are related with q-deformations of the dilations of the Euclidean space and with the non-commutative space. We work out two examples of Hamiltonian invariance under such symmetries. The Schrodinger equation for a free particle is investigated in such a non-commutative plane and a connection with anyonic statistics is found. PACS: 03.65.Fd, 11.30.Er
The transverse momentum dependence of the anisotropic flow v_2 for pi, K, nucleon, Lambda, Xi and Omega is studied for Au+Au collisions at sqrt s_NN = 200 GeV within two independent string-hadron transport approaches (RQMD and UrQMD). Although both models reach only 60% of the absolute magnitude of the measured v_2, they both predict the particle type dependence of v_2, as observed by the RHIC experiments: v_2 exhibits a hadron-mass hierarchy (HMH) in the low p_T region and a number-of-constituent-quark (NCQ) dependence in the intermediate p_T region. The failure of the hadronic models to reproduce the absolute magnitude of the observed v_2 indicates that transport calculations of heavy ion collisions at RHIC must incorporate interactions among quarks and gluons in the early, hot and dense phase. The presence of an NCQ scaling in the string-hadron model results suggests that the particle-type dependencies observed in heavy-ion collisions at intermediate p_T are related to the hadronic cross sections in vacuum rather than to the hadronization process itself, as suggested by quark recombination models.
A micro-canonical treatment is used to study particle production in pp collisions. First this micro-canonical treatment is compared to some canonical ones. Then proton, antiproton and pion 4 pi multiplicities from proton-proton collisions at various center of mass energies are used to fix the micro-canonical parameters (E) and (V). The dependences of the micro-canonical parameters on the collision energy are parameterised for the further study of pp reactions with this micro-canonical treatment.
We apply a microcanonical statistical model to investigate hadron production in pp collisions. The parameters of the model are the energy E and the volume V of the system, which we determine via fitting the average multiplicity of charged pions, protons and antiprotons in pp collisions at different collision energies. We then make predictions of mean multiplicities and mean transverse momenta of all identified hadrons. Our predictions on nonstrange hadrons are in good agreement with the data, the mean transverse momenta of strange hadron as well. However, the mean multiplicities of strange hadrons are overpredicted. This agrees with canonical and grandcanonical studies, where a strange suppression factor is needed. We also investigate the influence of event-by-event fluctuations of the E parameter.
Symmetrie
(1997)
The N/Z ratio of free nucleons from collisions of neutron-rich nuclei as a function of their momentum is studied by means of Isospin dependent Quantum Molecular Dynamics. We find that this ratio is not only sensitive to the form of the density dependence of the symmetry potential energy but also its strength determined by the symmetry energy coe cient. The uncertainties about the symmetry energy coe cient influence the accuracy of probing the density dependence of the symmetry energy by means of the N/Z ratio of free nucleons of neutron-rich nuclei.
The rapidity dependence of the single- and double- neutron to proton ratios of nucleon emission from isospin-asymmetric but mass-symmetric reactions Zr+Ru and Ru+Zr at energy range 100 ~ 800 A MeV and impact parameter range 0 ~ 8 fm is investigated. The reaction system with isospin-asymmetry and mass-symmetry has the advantage of simultaneously showing up the dependence on the symmetry energy and the degree of the isospin equilibrium. We find that the beam energy- and the impact parameter dependence of the slope parameter of the double neutron to proton ratio (F_D) as function of rapidity are quite sensitive to the density dependence of symmetry energy, especially at energies E_b ~ 400 A MeV and reduced impact parameters around 0.5. Here the symmetry energy effect on the F_D is enhanced, as compared to the single neutron to proton ratio. The degree of the equilibrium with respect to isospin (isospin mixing) in terms of the F_D is addressed and its dependence on the symmetry energy is also discussed.
Probing the density dependence of the symmetry potential in intermediate energy heavy ion collisions
(2005)
Based on the ultrarelativistic quantum molecular dynamics (UrQMD) model, the effects of the density-dependent symmetry potential for baryons and of the Coulomb potential for produced mesons are investigated for neutron-rich heavy ion collisions at intermediate energies. The calculated results of the Delta-/Delta++ and pi -/pi + production ratios show a clear beam-energy dependence on the density-dependent symmetry potential, which is stronger for the pi -/pi + ratio close to the pion production threshold. The Coulomb potential of the mesons changes the transverse momentum distribution of the pi -/pi + ratio significantly, though it alters only slightly the pi- and pi+ total yields. The pi- yields, especially at midrapidity or at low transverse momenta and the p-/pi+ ratios at low transverse momenta, are shown to be sensitive probes of the density-dependent symmetry potential in dense nuclear matter. The effect of the density-dependent symmetry potential on the production of both, K0 and K+ mesons, is also investigated.
The influence of the isospin-independent, isospin- and momentum-dependent equation of state (EoS), as well as the Coulomb interaction on the pion production in intermediate energy heavy ion collisions (HICs) is studied for both isospin-symmetric and neutron-rich systems. The Coulomb interaction plays an important role in the reaction dynamics, and strongly influences the rapidity and transverse momentum distributions of charged pions. It even leads to the pi- pi+ ratio deviating slightly from unity for isospin-symmetric systems. The Coulomb interaction between mesons and baryons is also crucial for reproducing the proper pion flow since it changes the behavior of the directed and the elliptic flow components of pions visibly. The EoS can be better investigated in neutron-rich system if multiple probes are measured simultaneously. For example, the rapidity and the transverse momentum distributions of the charged pions, the pi- pi+ ratio, the various pion flow components, as well as the difference of pi+-pi- flows. A new sensitive observable is proposed to probe the symmetry potential energy at high densities, namely the transverse momentum distribution of the elliptic flow difference [Delta v_2^pi+ - pi-(p_t rm c.m.].
We investigate the sensitivity of several observables to the density dependence of the symmetry potential within the microscopic transport model UrQMD (ultrarelativistic quantum molecular dynamics model). The same systems are used to probe the symmetry potential at both low and high densities. The influence of the symmetry potentials on the yields of pi-, pi+, the pi-/pi+ ratio, the n/p ratio of free nucleons and the t/3He ratio are studied for neutron-rich heavy ion collisions (208Pb+208Pb, 132Sn+124Sn, 96Zr+96Zr) at E_b=0.4A GeV. We find that these multiple probes provides comprehensive information on the density dependence of the symmetry potential.
Several observables of unbound nucleons which are to some extent sensitive to the medium modifications of nucleon-nucleon elastic cross sections in neutron-rich intermediate energy heavy ion collisions are investigated. The splitting effect of neutron and proton effective masses on cross sections is discussed. It is found that the transverse flow as a function of rapidity, the Q_zz as a function of momentum, and the ratio of halfwidths of the transverse to that of longitudinal rapidity distribution R_t/l are very sensitive to the medium modifications of the cross sections. The transverse momentum distribution of correlation functions of two-nucleons does not yield information on the in-medium cross section.
Based on the UrQMD transport model, the transverse momentum and the rapidity dependence of the Hanbury-Brown-Twiss (HBT) radii R_L, R_O, R_S as well as the cross term R_OL at SPS energies are investigated and compared with the experimental NA49 and CERES data. The rapidity dependence of the R_L, R_O, R_S is weak while the R_OL is significantly increased at large rapidities and small transverse momenta. The HBT "life-time" issue (the phenomenon that the calculated sqrt R_O^2-R_S^2 value is larger than the correspondingly extracted experimental data) is also present at SPS energies.
The pion source as seen through HBT correlations at RHIC energies is investigated within the UrQMD approach. We find that the calculated transverse momentum, centrality, and system size dependence of the Pratt-HBT radii R_L and R_S are reasonably well in line with experimental data. The predicted R_O values in central heavy ion collisions are larger as compared to experimental data. The corresponding quantity sqrt R_O^2-R_S^2 of the pion emission source is somewhat larger than experimental estimates.
The energy dependence of hadron production in central Pb+Pb collisions is presented and discussed. In particular, midrapidity m_T-spectra for pi-, K-, K+, p, bar p, d, phi, Lambda and bar Lambda at 40, 80 and 158 AGeV are shown. In addition Xi and Omega spectra are available at 158 AGeV. The spectra allow to determine the thermal freeze-out temperature T and the transverse flow velocity beta_T at the three energies. We do not observe a significant energy dependence of these parameters; furthermore there is no indication of early thermal freeze-out of Xi and Omega at 158 AGeV. Rapidity spectra for pi-, K-, K+ and phi at 40, 80 and 158 AGeV are shown, as well as first results on Omega rapidity distributions at 158 AGeV. The chemical freeze-out parameters T and mu_B at the three energies are determined from the total yields. The parameters are close to the expected phase boundary in the SPS energy range and above. Using the total yields of kaons and lambdas, the energy dependence of the strangeness to pion ratio is discussed. A maximum in this ratio is found at 40 AGeV. This maximum could indicate the formation of deconfined matter at energies above 40 AGeV. A search for open charm in a large sample of 158 AGeV events is presented. No signal is observed. This result is compared to several model predictions.
Transport of lipids across membranes is fundamental for diverse biological pathways in cells. Multiple ion-coupled transporters participate in lipid translocation, but their mechanisms remain largely unknown. Major facilitator superfamily (MFS) lipid transporters play central roles in cell wall synthesis, brain development and function, lipids recycling, and cell signaling. Recent structures of MFS lipid transporters revealed overlapping architectural features pointing towards a common mechanism. Here we used cysteine disulfide trapping, molecular dynamics simulations, mutagenesis analysis, and transport assays in vitro and in vivo, to investigate the mechanism of LtaA, a proton-dependent MFS lipid transporter essential for lipoteichoic acids synthesis in the pathogen Staphylococcus aureus. We reveal that LtaA displays asymmetric lateral openings with distinct functional relevance and that cycling through outward- and inward-facing conformations is essential for transport activity. We demonstrate that while the entire amphipathic central cavity of LtaA contributes to lipid binding, its hydrophilic pocket dictates substrate specificity. We propose that LtaA catalyzes lipid translocation by a ‘trap-and-flip’ mechanism that might be shared among MFS lipid transporters.
The mechanism by which the enzyme pyruvate decarboxylase from yeast is activated allosterically has been elucidated. A total of seven three-dimensional structures of the enzyme, of enzyme variants or of enzyme complexes from two yeast species (three of them reported here for the first time) provide detailed atomic resolution snapshots along the activation coordinate. The prime event is the covalent binding of the substrate pyruvate to the side chain of cysteine 221, thus forming a thiohemiketal. This reaction causes the shift of a neighbouring amino acid, which eventually leads to the rigidification of two otherwise flexible loops, where one of the loops provides two histidine residues necessary to complete the enzymatically competent active site architecture. The structural data are complemented and supported by kinetic investigations and binding studies and provide a consistent picture of the structural changes, which occur upon enzyme activation.
Upon infection, human immunodeficiency virus (HIV-1) releases its cone-shaped capsid into the cytoplasm of infected T-cells and macrophages. As its largest known cargo, the capsid enters the nuclear pore complex (NPC), driven by interactions with numerous FG-repeat nucleoporins (FG-Nups). Whether NPCs structurally adapt to capsid passage and whether capsids are modified during passage remains unknown, however. Here, we combined super-resolution and correlative microscopy with cryo electron tomography and molecular simulations to study nuclear entry of HIV-1 capsids in primary human macrophages. We found that cytosolically bound cyclophilin A is stripped off capsids entering the NPC, and the capsid hexagonal lattice remains largely intact inside and beyond the central channel. Strikingly, the NPC scaffold rings frequently crack during capsid passage, consistent with computer simulations indicating the need for NPC widening. The unique cone shape of the HIV-1 capsid facilitates its entry into NPCs and helps to crack their rings.
The recently published experimental dependence of the J/psi suppression pattern in Pb+Pb collisions at the CERN SPS on the energy of zero degree calorimeter EZDC are analyzed. It is found that the data obtained within the minimum bias analysis (using theoretical Drell-Yan ) are at variance with the previously published experimental dependence of the same quantity on the transversal energy of neutral hadrons ET . The discrepancy is related to the moderate centrality region: 100 << Np << 200 (Np is the number of nucleon participants). This could result from systematic experimental errors in the minimum bias sample. A possible source of the errors may be contamination of the minimum bias sample by o -target interactions. The data obtained within the standard analysis (using measured Drell-Yan multiplicity) are found to be much less sensitive to the contamination.
The study of hidden charm production is an important part of the heavy ion program. The standard approach to this problem [1] assumes that c¯c bound states are created only at the initial stage of the reaction and then partially destroyed at later stages due to interactions with the medium [2, 3, 4].
The quantum mechanical formula for Mayer s second cluster integral for the gas of relativistic particles with hard-core interaction is derived. The proper pion volume calculated with quantum mechanical formula is found to be an order of magnitude larger than its classical evaluation. The second cluster integral for the pion gas is calculated in quantum mechanical approach with account for both attractive and hard-core repulsive interactions. It is shown that, in the second cluster approximation, the repulsive -interactions as well as the finite width of resonances give important but almost canceling contributions. In contrast, an appreciable deviation from the ideal gas of pions and pion resonances is observed beyond the second clus- ter approximation in the framework of the Van der Waals excluded-volume model.
The equation of state for the pion gas is analyzed within the third virial approximation. The second virial coeffcient is found from the pi pi -scattering data, while the third one is considered as a free parameter. The proposed model leads to a first-order phase transition from the pion gas to a more dense phase at the temperature Tpt < 136 MeV. Due to relatively low temperature this phase transition cannot be related to the deconfinement. This suggests that a new phase of hadron matter hot pion liquid may exist.
The high E(T) drop of J / psi to Drell-Yan ratio from the statistical c anti-c coalescence model
(2002)
The dependence of the J/psi yield on the transverse energy ET in heavy ion collisions is considered within the statistical c¯c coalescence model. The model fits the NA50 data for Pb+Pb collisions at the CERN SPS even in the high-ET region (ET >< 100 GeV). Here ET -fluctuations and ET -losses in the dimuon event sample naturally create the celebrated drop in the J/psi to Drell-Yan ratio.
Statistical coalescence model analysis of J / psi production in Pb + Pb collisions at 158 A GeV
(2001)
Production of J/psi mesons in heavy ion collisions is considered within the statistical coalescence model. The model is in agreement with the experi- mental data of the NA50 Collaboration for Pb+Pb collisions at 158 A·GeV in a wide centrality range, including the so called anomalous suppression domain. The model description of the J/ psi data requires, however, strong enhancement of the open charm production in central Pb+Pb collisions. This model prediction may be checked in the future SPS runs.
The J/psi yield at midrapidity at the top RHIC (relativistic heavy ion collider) energy is calculated within the statistical coalescence model, which assumes charmonium formation at the late stage of the reaction from the charm quarks and antiquarks created earlier in hard parton collisions. The results are compared to the new PHENIX data and to predictions of the standard models, which assume formation of charmonia exclusively at the initial stage of the reaction and their subsequent suppression. Two versions of the suppression scenario are considered. One of them assumes gradual charmonium suppression by comovers, while the other one supposes that the suppression sets in abruptly due to quark-gluon plasma formation. Surprisingly, both versions give very similar results. In contrast, the statistical coalescence model predicts a few times larger J/psi yield in the most central collisions.
Spectra of various particle species have been calculated with the Quantum Molecular Dynamics (QMD) model for very central collisions of Au+Au. They are compatible with the idea of a fully stopped thermal source which exhibits a transversal expansion besides the thermal distribution of an ideal gas. How- ever, the microscopic analyses of the local flow velocities and temperatures indicate much lower temperatures at densities associated with the freeze-out. The results express the overall impossibility of a model-independent determi- nation of nuclear temperatures from heavy ion spectral data, also at other energies (e.g. CERN) or for other species (i.e. pions, kaons, hyperons)
Quantum Molecular Dynamics (QMD) calculations of central collisions between heavy nuclei are used to study fragment production and the creation of collective flow. It is shown that the final phase space distributions are compatible with the expectations from a thermally equilibrated source, which in addition exhibits a collective transverse expansion. However, the microscopic analyses of the transient states in the intermediate reaction stages show that the event shapes are more complex and that equilibrium is reached only in very special cases but not in event samples which cover a wide range of impact parameters as it is the case in experiments. The basic features of a new molecular dynamics model (UQMD) for heavy ion collisions from the Fermi energy regime up to the highest presently available energies are outlined.
Motivated by the on-going discussion on the nature of magnetism in the quantum Ising chain CoNb2O6, we present a first-principles-based analysis of its exchange interactions by applying an \textit{ab initio} approach with additional modelling that accounts for various drawbacks of a purely density functional theory ansatz. With this method we are able to extract and understand the origin of the magnetic couplings under inclusion of all symmetry-allowed terms, and to resolve the conflicting model descriptions in CoNb2O6. We find that the twisted Kitaev chain and the transverse-field ferromagnetic Ising chain views are mutually compatible, although additional off-diagonal exchanges are necessary to provide a complete picture. We show that the dominant exchange interaction is a ligand-centered exchange process - involving the eg electrons -, which is rendered anisotropic by the low-symmetry crystal fields environments in CoNb2O6, giving rise to the dominant Ising exchange, while the smaller bond-dependent anisotropies are found to originate from d−d kinetic exchange processes involving the t2g electrons. We demonstrate the validity of our approach by comparing the predictions of the obtained low-energy model to measured THz and inelastic neutron scattering spectra.
Event-by-event multiplicity fluctuations in nucleus-nucleus collisions are studied within the HSD and UrQMD transport models. The scaled variances of negative, positive, and all charged hadrons in Pb+Pb at 158 AGeV are analyzed in comparison to the data from the NA49 Collaboration. We find a dominant role of the fluctuations in the nucleon participant number for the final hadron multiplicity fluctuations. This fact can be used to check di erent scenarios of nucleus-nucleus collisions by measuring the final multiplicity fluctuations as a function of collision centrality. The analysis reveals surprising e ects in the recent NA49 data which indicate a rather strong mixing of the projectile and target hadron production sources even in peripheral collisions. PACS numbers: 25.75.-q,25.75.Gz,24.60.-k
Event-by-event fluctuations of the net baryon number and electric charge in nucleus-nucleus collisions are studied in Pb+Pb at SPS energies within the HSD transport model. We reveal an important role of the fluctuations in the number of target nucleon participants. They strongly influence all measured fluctuations even in the samples of events with rather rigid centrality trigger. This fact can be used to check different scenarios of nucleus-nucleus collisions by measuring the multiplicity fluctuations as a function of collision centrality in fixed kinematical regions of the projectile and target hemispheres. The HSD results for the event-by-event fluctuations of electric charge in central Pb+Pb collisions at 20, 30, 40, 80 and 158 A GeV are in a good agreement with the NA49 experimental data and considerably larger than expected in a quark-gluon plasma. This demonstrate that the distortions of the initial fluctuations by the hadronization phase and, in particular, by the final resonance decays dominate the observable fluctuations.
We compare multiplicities as well as rapidity and transverse momentum distributions of protons, pions and kaons calculated within presently available transport approaches for heavy ion collisions around 1 AGeV. For this purpose, three reactions have been selected: Au+Au at 1 and 1.48 AGeV and Ni+Ni at 1.93 AGeV.
The phase diagram of the (1+1)-dimensional Gross-Neveu model is reanalyzed for (non-)zero chemical potential and (non-)zero temperature within the mean-field approximation. By investigating the momentum dependence of the bosonic two-point function, the well-known second-order phase transition from the Z2 symmetric phase to the so-called inhomogeneous phase is detected. In the latter phase the chiral condensate is periodically varying in space and translational invariance is broken. This work is a proof of concept study that confirms that it is possible to correctly localize second-order phase transition lines between phases without condensation and phases of spatially inhomogeneous condensation via a stability analysis of the homogeneous phase. To complement other works relying on this technique, the stability analysis is explained in detail and its limitations and successes are discussed in context of the Gross-Neveu model. Additionally, we present explicit results for the bosonic wave-function renormalization in the mean-field approximation, which is extracted analytically from the bosonic two-point function. We find regions -- a so-called moat regime -- where the wave function renormalization is negative accompanying the inhomogeneous phase as expected.
The phase diagram of the (1+1)-dimensional Gross-Neveu model is reanalyzed for (non-)zero chemical potential and (non-)zero temperature within the mean-field approximation. By investigating the momentum dependence of the bosonic two-point function, the well-known second-order phase transition from the Z2 symmetric phase to the so-called inhomogeneous phase is detected. In the latter phase the chiral condensate is periodically varying in space and translational invariance is broken. This work is a proof of concept study that confirms that it is possible to correctly localize second-order phase transition lines between phases without condensation and phases of spatially inhomogeneous condensation via a stability analysis of the homogeneous phase. To complement other works relying on this technique, the stability analysis is explained in detail and its limitations and successes are discussed in context of the Gross-Neveu model. Additionally, we present explicit results for the bosonic wave-function renormalization in the mean-field approximation, which is extracted analytically from the bosonic two-point function. We find regions -- a so-called moat regime -- where the wave function renormalization is negative accompanying the inhomogeneous phase as expected.
The phase diagram of the (1+1)-dimensional Gross-Neveu model is reanalyzed for (non-)zero chemical potential and (non-)zero temperature within the mean-field approximation. By investigating the momentum dependence of the bosonic two-point function, the well-known second-order phase transition from the Z2 symmetric phase to the so-called inhomogeneous phase is detected. In the latter phase the chiral condensate is periodically varying in space and translational invariance is broken. This work is a proof of concept study that confirms that it is possible to correctly localize second-order phase transition lines between phases without condensation and phases of spatially inhomogeneous condensation via a stability analysis of the homogeneous phase. To complement other works relying on this technique, the stability analysis is explained in detail and its limitations and successes are discussed in context of the Gross-Neveu model. Additionally, we present explicit results for the bosonic wave-function renormalization in the mean-field approximation, which is extracted analytically from the bosonic two-point function. We find regions -- a so-called moat regime -- where the wave function renormalization is negative accompanying the inhomogeneous phase as expected.
We continue previous investigations of the (inhomogeneous) phase structure of the Gross-Neveu model in a noninteger number of spatial dimensions (1≤d<3) in the limit of an infinite number of fermion species (N→∞) at (non)zero chemical potential μ. In this work, we extend the analysis from zero to nonzero temperature T.
The phase diagram of the Gross-Neveu model in 1≤d<3 spatial dimensions is well known under the assumption of spatially homogeneous condensation with both a symmetry broken and a symmetric phase present for all spatial dimensions. In d=1 one additionally finds an inhomogeneous phase, where the order parameter, the condensate, is varying in space. Similarly, phases of spatially varying condensates are also found in the Gross-Neveu model in d=2 and d=3, as long as the theory is not fully renormalized, i.e., in the presence of a regulator. For d=2, one observes that the inhomogeneous phase vanishes, when the regulator is properly removed (which is not possible for d=3 without introducing additional parameters).
In the present work, we use the stability analysis of the symmetric phase to study the presence (for 1≤d<2) and absence (for 2≤d<3) of these inhomogeneous phases and the related moat regimes in the fully renormalized Gross-Neveu model in the μ,T-plane. We also discuss the relation between "the number of spatial dimensions" and "studying the model with a finite regulator" as well as the possible consequences for the limit d→3.
The Kitaev material α-RuCl3 is among the most prominent candidates to host a quantum spin-liquid state endowed with fractionalized excitations. Recent experimental and theoretical investigations have separately revealed the importance of both the magnetoelastic coupling and the magnetic anisotropy, in dependence of the applied magnetic field direction. In this combined theoretical and experimental research, we investigate the anisotropic magnetic and magnetoelastic properties for magnetic fields applied along the main crystallographic axes as well as for fields canted out of the honeycomb plane. We found that the magnetostriction anisotropy is unusually large compared to the anisotropy of the magnetization, which is related to the strong magnetoelastic Γ′˜-type coupling in our \textit{ab-initio} derived model. We observed large, non-symmetric magnetic anisotropy for magnetic fields canted out of the honeycomb ab-plane in opposite directions, namely towards the +c∗ or −c∗ axes, respectively. The observed directional anisotropy is explained by considering the relative orientation of the magnetic field with respect to the co-aligned RuCl6 octahedra. Magnetostriction measurements in canted fields support this non-symmetric magnetic anisotropy, however these experiments are affected by magnetic torque effects. Comparison of theoretical predictions with experimental findings allow us to recognize the significant contribution of torque effects in experimental setups where α-RuCl3 is placed in canted magnetic fields.
Gravitational radiation from ultra high energy cosmic rays in models with large extra dimensions
(2006)
The effects of classical gravitational radiation in models with large extra dimensions are investigated for ultra high energy cosmic rays (CRs). The cross sections are implemented into a simulation package (SENECA) for high energy hadron induced CR air showers. We predict that gravitational radiation from quasi-elastic scattering could be observed at incident CR energies above 10^9 GeV for a setting with more than two extra dimensions. It is further shown that this gravitational energy loss can alter the energy reconstruction for CR energies E_CR > 5 10^9 GeV.
Within the scenario of large extra dimensions, the Planck scale is lowered to values soon accessible. Among the predicted effects, the production of TeV mass black holes at the LHC is one of the most exciting possibilities. Though the final phases of the black hole’s evaporation are still unknown, the formation of a black hole remnant is a theoretically well motivated expectation. We analyze the observables emerging from a black hole evaporation with a remnant instead of a final decay. We show that the formation of a black hole remnant yields a signature which differs substantially from a final decay. We find the total transverse momentum of the black hole event to be significantly dominated by the presence of a remnant mass providing a strong experimental signature for black hole remnant formation.
In this paper we derive a formula for the energy loss due to elastic N to N particle scattering in models with extra dimensions that are compactified on a radius R. In contrast to a previous derivation we also calculate additional terms that are suppressed by factors of frequency over compactification radius. In the limit of a large compactification radius R those terms vanish and the standard result for the non compactified case is recovered.
Preliminary results on pion-pion Bose-Einstein correlations in central Pb+Pb collisions measured by the NA49 experiment are presented. Rapidity as well as transverse momentum dependence of the HBT-radii are shown for collisions at 20, 30, 40, 80, and 158 AGeV beam energy. Including results from AGS and RHIC experiments only a weak energy dependence of the radii is observed. Based on hydrodynamical models parameters like lifetime and geometrical radius of the source are derived from the dependence of the radii on transverse momentum.
The data on mT spectra of K0S K+ and K- mesons produced in all inelastic p + p and p + pbar interactions in the energy range sqrt(s)NN=4.7-1800GeV are compiled and analyzed. The spectra are parameterized by a single exponential function, dN/(m_T*dm_T)=C exp(-m_T/T), and the inverse slope parameter T is the main object of study. The T parameter is found to be similar for K0S, K+ and K- mesons. It increases monotonically with collision energy from T~30MeV at sqrt(s)NN=4.7GeV to T~220MeV at sqrt(s)NN=1800GeV. The T parameter measured in p+p and p+pbar interactions is significantly lower than the corresponding parameter obtained for central Pb+Pb collisions at all studied energies. Also the shape of the energy dependence of T is different for central Pb+Pb collisions and p+p(pbar) interactions.
The family of cubic noncentrosymmetric 3-4-3 compounds has become a fertile ground for the discovery of novel correlated metallic and insulating phases. Here, we report the synthesis of a new heavy fermion compound, Ce3Bi4Ni3. It is an isoelectronic analog of the prototypical Kondo insulator Ce3Bi4Pt3 and of the recently discovered Weyl-Kondo semimetal Ce3Bi4Pd3. In contrast to the volume-preserving Pt-Pd substitution, structural and chemical analyses reveal a positive chemical pressure effect in Ce3Bi4Ni3 relative to its heavier counterparts. Based on the results of electrical resistivity, Hall effect, magnetic susceptibility, and specific heat measurements, we identify an energy gap of 65-70 meV, about 8 times larger than that in Ce3Bi4Pt3 and about 45 times larger than that of the Kondo-insulating background hosting the Weyl nodes in Ce3Bi4Pd3. We show that this gap as well as other physical properties do not evolve monotonically with increasing atomic number, i.e., in the sequence Ce3Bi4Ni3-Ce3Bi4Pd3-Ce3Bi4Pt3, but instead with increasing partial electronic density of states of the d orbitals at the Fermi energy. To understand under which condition topological states form in these materials is a topic for future studies.
The family of cubic noncentrosymmetric 3-4-3 compounds has become a fertile ground for the discovery of novel correlated metallic and insulating phases. Here, we report the synthesis of a new heavy fermion compound, Ce3Bi4Ni3. It is an isoelectronic analog of the prototypical Kondo insulator Ce3Bi4Pt3 and of the recently discovered Weyl-Kondo semimetal Ce3Bi4Pd3. In contrast to the volume-preserving Pt-Pd substitution, structural and chemical analyses reveal a positive chemical pressure effect in Ce3Bi4Ni3 relative to its heavier counterparts. Based on the results of electrical resistivity, Hall effect, magnetic susceptibility, and specific heat measurements, we identify an energy gap of 65-70 meV, about eight times larger than that in Ce3Bi4Pt3 and about 45 times larger than that of the Kondo-insulating background hosting the Weyl nodes in Ce3Bi4Pd3. We show that this gap as well as other physical properties do not evolve monotonically with increasing atomic number, i.e., in the sequence Ce3Bi4Ni3-Ce3Bi4Pd3-Ce3Bi4Pt3, but instead with increasing partial electronic density of states of the d orbitals at the Fermi energy. To understand under which condition topological states form in these materials is a topic for future studies.
In the novel stoichiometric iron-based material RbEuFe4As4 superconductivity coexists with a peculiar long-range magnetic order of Eu 4f states; their coexistance is puzzling and represents a challenge for both experiment and theory. Using angle-resolved photoemission spectroscopy, resonant photoemission spectroscopy, Andreev reflection spectroscopy and scanning tunneling spectroscopy we have addressed this puzzle and unambigously shown that Fe- and Eu-derived states are largely decoupled and that superconducting and a long range magnetic orders exist almost independently from each other.
In response to pathogen infection, gasdermin (GSDM) proteins form membrane pores that induce a host cell death process called pyroptosis1–3. Studies of human and mouse GSDM pores reveal the functions and architectures of 24–33 protomers assemblies4–9, but the mechanism and evolutionary origin of membrane targeting and GSDM pore formation remain unknown. Here we determine a structure of a bacterial GSDM (bGSDM) pore and define a conserved mechanism of pore assembly. Engineering a panel of bGSDMs for site-specific proteolytic activation, we demonstrate that diverse bGSDMs form distinct pore sizes that range from smaller mammalian-like assemblies to exceptionally large pores containing >50 protomers. We determine a 3.3 Å cryo-EM structure of a Vitiosangium bGSDM in an active slinky-like oligomeric conformation and analyze bGSDM pores in a native lipid environment to create an atomic-level model of a full 52-mer bGSDM pore. Combining our structural analysis with molecular dynamics simulations and cellular assays, we define a stepwise model of GSDM pore assembly and demonstrate that pore formation is driven by local unfolding of membrane-spanning β-strand regions and pre-insertion of a covalently bound palmitoyl into the target membrane. These results yield insights into the diversity of GSDM pores found in nature and the function of an ancient post-translational modification in enabling a programmed host cell death process.
We have investigated the systematic differences introduced when performing a Bayesian-inference analysis of the equation of state of neutron stars employing either variable- or constant-likelihood functions. The former have the advantage that it retains the full information on the distributions of the measurements, making an exhaustive usage of the data. The latter, on the other hand, have the advantage of a much simpler implementation and reduced computational costs. In both approaches, the EOSs have identical priors and have been built using the sound-speed parameterization method so as to satisfy the constraints from X-ray and gravitationalwaves observations, as well as those from Chiral Effective Theory and perturbative QCD. In all cases, the two approaches lead to very similar results and the 90%-confidence levels are essentially overlapping. Some differences do appear, but in regions where the probability density is extremely small and are mostly due to the sharp cutoff set on the binary tidal deformability Λ˜ ≤ 720 employed in the constant-likelihood analysis. Our analysis has also produced two additional results. First, a clear inverse correlation between the normalized central number density of a maximally massive star, nc,TOV/ns, and the radius of a maximally massive star, RTOV. Second, and most importantly, it has confirmed the relation between the chirp mass Mchirp and the binary tidal deformability Λ˜. The importance of this result is that it relates a quantity that is measured very accurately, Mchirp, with a quantity that contains important information on the micro-physics, Λ˜. Hence, once Mchirp is measured in future detections, our relation has the potential of setting tight constraints on Λ˜.
Tracking influenza a virus infection in the lung from hematological data with machine learning
(2022)
The tracking of pathogen burden and host responses with minimal-invasive methods during respiratory infections is central for monitoring disease development and guiding treatment decisions. Utilizing a standardized murine model of respiratory Influenza A virus (IAV) infection, we developed and tested different supervised machine learning models to predict viral burden and immune response markers, i.e. cytokines and leukocytes in the lung, from hematological data. We performed independently in vivo infection experiments to acquire extensive data for training and testing purposes of the models. We show here that lung viral load, neutrophil counts, cytokines like IFN-γ and IL-6, and other lung infection markers can be predicted from hematological data. Furthermore, feature analysis of the models shows that blood granulocytes and platelets play a crucial role in prediction and are highly involved in the immune response against IAV. The proposed in silico tools pave the path towards improved tracking and monitoring of influenza infections and possibly other respiratory infections based on minimal-invasively obtained hematological parameters.
In this study, we analyze the recently proposed charge transfer fluctuations within a finite pseudo-rapidity space. As the charge transfer fluctuation is a measure of the local charge correlation length, it is capable of detecting inhomogeneity in the hot and dense matter created by heavy ion collisions. We predict that going from peripheral to central collisions, the charge transfer fluctuations at midrapidity should decrease substantially while the charge transfer fluctuations at the edges of the observation window should decrease by a small amount. These are consequences of having a strongly inhomogeneous matter where the QGP component is concentrated around midrapidity. We also show how to constrain the values of the charge correlations lengths in both the hadronic phase and the QGP phase using the charge transfer fluctuations.
We show that an unambiguous way of determining the universal limiting fragmentation region is to consider the derivative (d 2 n / d eta 2) of the pseudo-rapidity distribution per participant pair. In addition, we find that the transition region between the fragmentation and the central plateau regions exhibits a second kind of universal behavior that is only apparent in d 2 n / d eta 2. The sqrt s dependence of the height of the central plateau (d n / d eta) eta=0 and the total charged particle multiplicity n total critically depend on the behavior of this universal transition curve. Analyzing available RHIC data, we show that (dn/d eta) eta=0 can be bounded by ln 2 s and n total can be bounded by ln 3 s. We also show that the deuteron-gold data from RHIC has the exactly same features as the gold-gold data indicating that these universal behaviors are a feature of the initial state parton-nucleus interactions and not a consequence of final state interactions. Predictions for LHC energy are also given.