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Biological as well as advanced artificial intelligences (AIs) need to decide which goals to pursue. We review nature's solution to the time allocation problem, which is based on a continuously readjusted categorical weighting mechanism we experience introspectively as emotions. One observes phylogenetically that the available number of emotional states increases hand in hand with the cognitive capabilities of animals and that raising levels of intelligence entail ever larger sets of behavioral options. Our ability to experience a multitude of potentially conflicting feelings is in this view not a leftover of a more primitive heritage, but a generic mechanism for attributing values to behavioral options that can not be specified at birth. In this view, emotions are essential for understanding the mind. For concreteness, we propose and discuss a framework which mimics emotions on a functional level. Based on time allocation via emotional stationarity (TAES), emotions are implemented as abstract criteria, such as satisfaction, challenge and boredom, which serve to evaluate activities that have been carried out. The resulting timeline of experienced emotions is compared with the “character” of the agent, which is defined in terms of a preferred distribution of emotional states. The long-term goal of the agent, to align experience with character, is achieved by optimizing the frequency for selecting individual tasks. Upon optimization, the statistics of emotion experience becomes stationary.
The Born cross sections and effective form factors for process 𝑒+𝑒−→Ξ−¯Ξ+ are measured at eight center-of-mass energies between 2.644 and 3.080 GeV, using a total integrated luminosity of 363.9 pb−1 𝑒+𝑒− collision data collected with the BESIII detector at BEPCII. After performing a fit to the Born cross section of 𝑒+𝑒−→Ξ−¯Ξ+, no significant threshold effect is observed.
Recent lattice QCD results, comparing to a hadron resonance gas model, have shown the need for hundreds of particles in hadronic models. These extra particles influence both the equation of state and hadronic interactions within hadron transport models. Here, we introduce the PDG21+ particle list, which contains the most up-to-date database of particles and their properties. We then convert all particles decays into 2 body decays so that they are compatible with SMASH in order to produce a more consistent description of a heavy-ion collision.
A single wavelength heterodyne interferometer has been set up to investigate the free electron density integrated axially along the line of sight (line density) in a theta-pinch plasma to determine its applicability as a plasma target for ion beam stripping. The maximal line density reached in this experiment was (3.57 ± 0.28) × 1018 cm−2 at 80 Pa and 20 kV. The findings demonstrate the pulsed character of the line density and its increase by raising the load voltage and the working gas pressure. Additionally, the results were compared with spectroscopic free electron density estimations, which were carried out by Hβ -line broadening and peak separation. The time behavior of the line density indicates that its peak value is delayed by about 10 μs compared to the spectroscopic results. This effect is due to the formation of an extended, magnetically compressed plasma column in the vicinity of the current maximum, although the highest volumetric free electron density is reached near the current zero crossing. Since the line density is an essential parameter in describing the stripping capabilities of the plasma target, the interferometric diagnostic is superior to a spectroscopic diagnostic, because it directly provides integrated values along the line of sight. Furthermore, the measurements of the line density in this experiment partially show nonphysical negative values, which is due to gaseous effects and residual shot vibrations.
This paper reports on Monte Carlo simulation results for future measurements of the moduli of time-like proton electromagnetic form factors, |GE | and |GM|, using the ¯pp → μ+μ− reaction at PANDA (FAIR). The electromagnetic form factors are fundamental quantities parameterizing the electric and magnetic structure of hadrons. This work estimates the statistical and total accuracy with which the form factors can be measured at PANDA, using an analysis of simulated data within the PandaRoot software framework. The most crucial background channel is ¯pp → π+π−,due to the very similar behavior of muons and pions in the detector. The suppression factors are evaluated for this and all other relevant background channels at different values of antiproton beam momentum. The signal/background separation is based on a multivariate analysis, using the Boosted Decision Trees method. An expected background subtraction is included in this study, based on realistic angular distribuations of the background contribution. Systematic uncertainties are considered and the relative total uncertainties of the form factor measurements are presented.
Upon antibiotic stress Gram-negative pathogens deploy resistance-nodulation-cell division-type tripartite efflux pumps. These include a H+/drug antiporter module that recognizes structurally diverse substances, including antibiotics. Here, we show the 3.5 Å structure of subunit AdeB from the Acinetobacter baumannii AdeABC efflux pump solved by single-particle cryo-electron microscopy. The AdeB trimer adopts mainly a resting state with all protomers in a conformation devoid of transport channels or antibiotic binding sites. However, 10% of the protomers adopt a state where three transport channels lead to the closed substrate (deep) binding pocket. A comparison between drug binding of AdeB and Escherichia coli AcrB is made via activity analysis of 20 AdeB variants, selected on basis of side chain interactions with antibiotics observed in the AcrB periplasmic domain X-ray co-structures with fusidic acid (2.3 Å), doxycycline (2.1 Å) and levofloxacin (2.7 Å). AdeABC, compared to AcrAB-TolC, confers higher resistance to E. coli towards polyaromatic compounds and lower resistance towards antibiotic compounds.
How long does it take to emit an electron from an atom? This question has intrigued scientists for decades. As such emission times are in the attosecond regime, the advent of attosecond metrology using ultrashort and intense lasers has re-triggered strong interest on the topic from an experimental standpoint. Here, we present an approach to measure such emission delays, which does not require attosecond light pulses, and works without the presence of superimposed infrared laser fields. We instead extract the emission delay from the interference pattern generated as the emitted photoelectron is diffracted by the parent ion’s potential. Targeting core electrons in CO, we measured a 2d map of photoelectron emission delays in the molecular frame over a wide range of electron energies. The emission times depend drastically on the photoelectrons’ emission directions in the molecular frame and exhibit characteristic changes along the shape resonance of the molecule.
Understanding the physics of strongly correlated electronic systems has been a central issue in condensed matter physics for decades. In transition metal oxides, strong correlations characteristic of narrow d bands are at the origin of remarkable properties such as the opening of Mott gap, enhanced effective mass, and anomalous vibronic coupling, to mention a few. SrVO3 with V4+ in a 3d1 electronic configuration is the simplest example of a 3D correlated metallic electronic system. Here, the authors' focus on the observation of a (roughly) quadratic temperature dependence of the inverse electron mobility of this seemingly simple system, which is an intriguing property shared by other metallic oxides. The systematic analysis of electronic transport in SrVO3 thin films discloses the limitations of the simplest picture of e–e correlations in a Fermi liquid (FL); instead, it is shown show that the quasi-2D topology of the Fermi surface (FS) and a strong electron–phonon coupling, contributing to dress carriers with a phonon cloud, play a pivotal role on the reported electron spectroscopic, optical, thermodynamic, and transport data. The picture that emerges is not restricted to SrVO3 but can be shared with other 3d and 4d metallic oxides.
Ion formation from alkali halide solids caused by the irradiation of high power (some 108 W/ cm2) pulsed lasers is investigated by means of time-of-flight mass spectrometry (LAMMA®). It is shown that the ions are formed directly from the solid state, several uppermost atomic layers being involved; gas phase interactions are negligible. The ion formation rates, however, are in-compatible with the assumption of a quasiequilibrium phase transition, but should be explained in terms of non-adiabatic rate processes discussed in some detail. The light absorption of the transparent halide crystals is assumed to be initiated by multiphoton absorption - free electron production; the further energy transfer being maintained by rapid polaron-Joule-heating. The data are compatible with this model.
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.
The effect of a single site mutation of Arg-54 to methionine in Paracoccus denitrificans cytochrome c oxidase was studied using a combination of optical spectroscopy, electrochemical and rapid kinetics techniques, and time-resolved measurements of electrical membrane potential. The mutation resulted in a blue-shift of the heme a alpha-band by 15 nm and partial occupation of the low-spin heme site by heme O. Additionally, there was a marked decrease in the midpoint potential of the low-spin heme, resulting in slow reduction of this heme species. A stopped-flow investigation of the reaction with ferrocytochrome c yielded a kinetic difference spectrum resembling that of heme a(3). This observation, and the absence of transient absorbance changes at the corresponding wavelength of the low-spin heme, suggests that, in the mutant enzyme, electron transfer from Cu(A) to the binuclear center may not occur via heme a but that instead direct electron transfer to the high-spin heme is the dominating process. This was supported by charge translocation measurements where Deltapsi generation was completely inhibited in the presence of KCN. Our results thus provide an example for how the interplay between protein and cofactors can modulate the functional properties of the enzyme complex.
Sparse sensor networks for Lamb wave-based structural health monitoring (SHM) can detect defects in plate-like structures. However, the limited number of sensor positions provides little information to characterize the unknown scatterer. This can be achieved by full wavefield analysis e.g. using Laser Doppler vibrometry measurements.
This paper proposes deconvolution processing that enhances the acoustic wavefield interpretation by increasing the temporal resolution of the underlying ultrasound signals. Applying this preprocessor to the whole wavefield allows improved non-destructive assessment of the defect. This approach is verified experimentally through a case study on an isotropic aluminum plate with four cracks.
The traffic AAA-ATPase PilF is essential for pilus biogenesis and natural transformation of Thermus thermophilus HB27. Recently, we showed that PilF forms hexameric complexes containing six zinc atoms coordinated by conserved tetracysteine motifs. Here we report that zinc binding is essential for complex stability. However, zinc binding is neither required for pilus biogenesis nor natural transformation. A number of the mutants did not exhibit any pili during growth at 64 °C but still were transformable. This leads to the conclusion that type 4 pili and the DNA translocator are distinct systems. At lower growth temperatures (55 °C) the zinc-depleted multiple cysteine mutants were hyperpiliated but defective in pilus-mediated twitching motility. This provides evidence that zinc binding is essential for the role of PilF in pilus dynamics. Moreover, we found that zinc binding is essential for complex stability but dispensable for ATPase activity. In contrast to many polymerization ATPases from mesophilic bacteria, ATP binding is not required for PilF complex formation; however, it significantly increases complex stability. These data suggest that zinc and ATP binding increase complex stability that is important for functionality of PilF under extreme environmental conditions.
Many Polyakov loop models can be written in a dual formulation which is free of sign problem even when a non-vanishing baryon chemical potential is introduced in the action. Here, results of numerical simulations of a dual representation of one such effective Polyakov loop model at finite baryon density are presented. We compute various local observables such as energy density, baryon density, quark condensate and describe in details the phase diagram of the model. The regions of the first order phase transition and the crossover, as well as the line of the second order phase transition, are established. We also compute several correlation functions of the Polyakov loops.
The article presents the results of numerical and experimental investigations of guided wave propagation in aluminum plates with variable thickness. The shapes of plate surfaces have been specially designed and manufactured using a CNC milling machine. The shapes of the plates were defined by sinusoidal functions varying in phase shift, which forced the changes in thickness variability alongside the propagation path. The main aim of the study is to analyze the wave propagation characteristics caused by non-uniform thickness. In the first step, the influence of thickness variability on the time course of propagating waves has been analyzed theoretically. The study proves that the wave propagation signals can be determined based on knowledge about the statistical description of the specimen geometry. The histograms of thickness distribution together with the a priori knowledge of the dispersion curves were used to develop an iterative procedure assuming that the signal from the previous step becomes the excitation in the next step. Such an approach allowed for taking into account the complex geometry of the plate and rejecting the assumption about the constant average thickness alongside the propagation path. In consequence, it was possible to predict correctly the signal time course, as well as the time of flight and number of propagating wave modes in specimens with variable thickness. It is demonstrated that theoretical signals predicted in this way coincide well with numerical and experimental results. Moreover, the novel procedure allowed for the correct prediction of the occurrence of higher-order modes.
We investigate the phase diagram of the square lattice bilayer Hubbard model at half-filling with the variational Monte Carlo method for both the magnetic and the paramagnetic case as a function of the interlayer hopping and on-site Coulomb repulsion U. With this study we resolve some discrepancies in previous calculations based on the dynamical mean-field theory, and we are able to determine the nature of the phase transitions between metal, Mott insulator and band insulator. In the magnetic case we find only two phases: an antiferromagnetic Mott insulator at small for any value of U and a band insulator at large . At large U values we approach the Heisenberg limit. The paramagnetic phase diagram shows at small a metal to Mott insulator transition at moderate U values and a Mott to band insulator transition at larger U values. We also observe a re-entrant Mott insulator to metal transition and metal to band insulator transition for increasing in the range of . Finally, we discuss the phase diagrams obtained in relation to findings from previous studies based on different many-body approaches.
Highlights
• Sampling the large conformational space of disordered proteins requires extensive molecular dynamics (MD) simulations.
• Fragment assembly complements MD simulations to produce extensive ensembles of disordered proteins with atomic detail.
• Hierarchical chain growth (HCG) ensembles capture key experimental descriptors “out of the box”.
• HCG has revealed local structural characteristics associated with protein dysfunction in neurodegeneration.
Abstract
Disordered proteins and nucleic acids play key roles in cellular function and disease. Here, we review recent advances in the computational exploration of the conformational dynamics of flexible biomolecules. While atomistic molecular dynamics (MD) simulation has seen a lot of improvement in recent years, large-scale computing resources and careful validation are required to simulate full-length disordered biopolymers in solution. As a computationally efficient alternative, hierarchical chain growth (HCG) combines pre-sampled chain fragments in a statistically reproducible manner into ensembles of full-length atomically detailed biomolecular structures. Experimental data can be integrated during and after chain assembly. Applications to the neurodegeneration-linked proteins α-synuclein, tau, and TDP-43, including as condensate, illustrate the use of HCG. We conclude by highlighting the emerging connections to AI-based structural modeling including AlphaFold2.
Oxygen vacancies in strontium titanate surfaces (SrTiO3) have been linked to the presence of a two-dimensional electron gas with unique behavior. We perform a detailed density functional theory study of the lattice and electronic structure of SrTiO3 slabs with multiple oxygen vacancies, with a main focus on two vacancies near a titanium dioxide terminated SrTiO3 surface. We conclude based on total energies that the two vacancies preferably inhabit the first two layers, i.e. they cluster vertically, while in the direction parallel to the surface, the vacancies show a weak tendency towards equal spacing. Analysis of the nonmagnetic electronic structure indicates that oxygen defects in the surface TiO2 layer lead to population of Ti ${{t}_{2g}}$ states and thus itinerancy of the electrons donated by the oxygen vacancy. In contrast, electrons from subsurface oxygen vacancies populate Ti eg states and remain localized on the two Ti ions neighboring the vacancy. We find that both the formation of a bound oxygen-vacancy state composed of hybridized Ti 3eg and 4p states neighboring the oxygen vacancy as well as the elastic deformation after extracting oxygen contribute to the stabilization of the in-gap state.
The Gross-Neveu model in the N→∞ limit 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 noninteger 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 noninteger spatial dimensions. We find that the IP is present for all d<2 and vanishes exactly at d=2. Moreover, we find no instability toward an IP for 2≤d<3, which suggests that the IP in d=3 is solely generated by the presence of a regulator.
We show the absence of an instability of homogeneous (chiral) condensates against spatially inhomogeneous perturbations for various (2+1)-dimensional four-fermion and Yukawa models. All models are studied at nonzero baryon chemical potential, while some of them are also subjected to chiral and isospin chemical potential. The considered theories contain up to 16 Lorentz-(pseudo)scalar fermionic interaction channels. We prove the stability of homogeneous condensates by analyzing the bosonic two-point function, which can be expressed in a purely analytical form at zero temperature. Our analysis is presented in a general manner for all of the different discussed models. We argue that the absence of an inhomogeneous chiral phase (where the chiral condensate is spatially nonuniform) follows from this lack of instability. Furthermore, the existence of a moat regime, where the bosonic wave-function renormalization is negative, in these models is ruled out.
By analyzing the large-angle Bhabha scattering events e+e− → (γ)e+e− and diphoton events e+e− → (γ)γγ for the data sets collected at center-of-mass (c.m.) energies between 2.2324 and 4.5900 GeV (131 energy points in total) with the upgraded Beijing Spectrometer (BESIII) at the Beijing Electron-Positron Collider (BEPCII), the integrated luminosities have been measured at the different c.m. energies, individually. The results are important inputs for the R value and J/ψ resonance parameter measurements.
The polarization of Λ and Λ¯ hyperons along the beam direction has been measured relative to the second and third harmonic event planes in isobar Ru+Ru and Zr+Zr collisions at √sNN = 200 GeV. This is the first experimental evidence of the hyperon polarization by the triangular flow originating from the initial density fluctuations. The amplitudes of the sine modulation for the second and third harmonic results are comparable in magnitude, increase from central to peripheral collisions, and show a mild pT dependence. The azimuthal angle dependence of the polarization follows the vorticity pattern expected due to elliptic and triangular anisotropic flow, and qualitatively disagree with most hydrodynamic model calculations based on thermal vorticity and shear induced contributions. The model results based on one of existing implementations of the shear contribution lead to a correct azimuthal angle dependence, but predict centrality and pT dependence that still disagree with experimental measurements. Thus, our results provide stringent constraints on the thermal vorticity and shear-induced contributions to hyperon polarization. Comparison to previous measurements at RHIC and the LHC for the second-order harmonic results shows little dependence on the collision system size and collision energy.
The ALICE Collaboration reports a differential measurement of inclusive jet suppression using pp and Pb−Pb collision data at a center-of-mass energy per nucleon-nucleon collision sNN−−−√=5.02 TeV. Charged-particle jets are reconstructed using the anti-kT algorithm with resolution parameters R= 0.2, 0.3, 0.4, 0.5, and 0.6 in pp collisions and R= 0.2, 0.4, 0.6 in central (0−10%), semi-central (30−50%), and peripheral (60−80%) Pb−Pb collisions. A novel approach based on machine learning is employed to mitigate the influence of jet background. This enables measurements of inclusive jet suppression in new regions of phase space, including down to the lowest jet pT≥40 GeV/c at R=0.6 in central Pb−Pb collisions. This is an important step for discriminating different models of jet quenching in the quark-gluon plasma. The transverse momentum spectra, nuclear modification factors, derived cross section, and nuclear modification factor ratios for different jet resolution parameters of charged-particle jets are presented and compared to model predictions. A mild dependence of the nuclear modification factor ratios on collision centrality and resolution parameter is observed. The results are compared to a variety of jet-quenching models with varying levels of agreement.
The elliptic flow (v2) of D0 mesons from beauty-hadron decays (non-prompt D0) was measured in midcentral (30-50%) Pb-Pb collisions at a centre-of-mass energy per nucleon pair sNN−−−√ = 5.02 TeV with the ALICE detector at the LHC. The D0 mesons were reconstructed at midrapidity (|y|<0.8) from their hadronic decay D0→K−π+, in the transverse momentum interval 2<pT<12 GeV/c. The result indicates a positive v2 for non-prompt D0 mesons with a significance of 2.7σ. The non-prompt D0-meson v2 is lower than that of prompt non-strange D mesons with 3.2σ significance in 2<pT<8 GeV/c, and compatible with the v2 of beauty-decay electrons. Theoretical calculations of beauty-quark transport in a hydrodynamically expanding medium describe the measurement within uncertainties.
The azimuthal (Δφ) correlation distributions between heavy-flavor decay electrons and associated charged particles are measured in pp and p−Pb collisions at sNN−−−√=5.02 TeV. Results are reported for electrons with transverse momentum 4<pT<16 GeV/c and pseudorapidity |η|<0.6. The associated charged particles are selected with transverse momentum 1<pT<7 GeV/c, and relative pseudorapidity separation with the leading electron |Δη|<1. The correlation measurements are performed to study and characterize the fragmentation and hadronization of heavy quarks. The correlation structures are fitted with a constant and two von Mises functions to obtain the baseline and the near- and away-side peaks, respectively. The results from p−Pb collisions are compared with those from pp collisions to study the effects of cold nuclear matter. In the measured trigger electron and associated particle kinematic regions, the two collision systems give consistent results. The Δφ distribution and the peak observables in pp and p−Pb collisions are compared with calculations from various Monte Carlo event generators.
We report about the properties of the underlying event measured with ALICE at the LHC in pp and p−Pb collisions at sNN−−−√=5.02 TeV. The event activity, quantified by charged-particle number and summed-pT densities, is measured as a function of the leading-particle transverse momentum (ptrigT). These quantities are studied in three azimuthal-angle regions relative to the leading particle in the event: toward, away, and transverse. Results are presented for three different pT thresholds (0.15, 0.5, and 1 GeV/c) at mid-pseudorapidity (|η|<0.8). The event activity in the transverse region, which is the most sensitive to the underlying event, exhibits similar behaviour in both pp and p−Pb collisions, namely, a steep increase with ptrigT for low ptrigT, followed by a saturation at ptrigT≈5 GeV/c. The results from pp collisions are compared with existing measurements at other centre-of-mass energies. The quantities in the toward and away regions are also analyzed after the subtraction of the contribution measured in the transverse region. The remaining jet-like particle densities are consistent in pp and p−Pb collisions for ptrigT>10 GeV/c, whereas for lower ptrigT values the event activity is slightly higher in p−Pb than in pp collisions. The measurements are compared with predictions from the PYTHIA 8 and EPOS LHC Monte Carlo event generators.
Two-particle correlations with K0S, Λ/Λ¯, and charged hadrons as trigger particles in the transverse momentum range 8<pT,trig<16 GeV/c, and associated charged particles within 1<pT,assoc<8 GeV/c, are studied at mid-rapidity in pp and central Pb-Pb collisions at a centre-of-mass energy per nucleon-nucleon collision sNN−−−√=5.02 TeV with the ALICE detector at the LHC. After subtracting the contributions of the flow background, the per-trigger yields are extracted on both the near and away sides, and the ratio in Pb-Pb collisions with respect to pp collisions (IAA) is computed. The per-trigger yield in Pb-Pb collisions on the away side is strongly suppressed to the level of IAA≈0.6 for pT,assoc>3 GeV/c as expected from strong in-medium energy loss, while an enhancement develops at low pT,assoc on both the near and away sides, reaching IAA≈1.8 and 2.7 respectively. These findings are in good agreement with previous ALICE measurements from two-particle correlations triggered by neutral pions (π0-h) and charged hadrons (h-h) in Pb-Pb collisions at sNN−−−√=2.76 TeV. Moreover, the correlations with K0S mesons and Λ/Λ¯ baryons as trigger particles are compared to those of inclusive charged hadrons. The results are compared with the predictions of Monte Carlo models.
The first measurement of the e+e− pair production at low lepton pair transverse momentum (pT,ee) and low invariant mass (mee) in non-central Pb−Pb collisions at sNN−−−√=5.02 TeV at the LHC is presented. The dielectron production is studied with the ALICE detector at midrapidity (|ηe|<0.8) as a function of invariant mass (0.4≤mee<2.7 GeV/c2) in the 50−70% and 70−90% centrality classes for pT,ee<0.1 GeV/c, and as a function of pT,ee in three mee intervals in the most peripheral Pb−Pb collisions. Below a pT,ee of 0.1 GeV/c, a clear excess of e+e− pairs is found compared to the expectations from known hadronic sources and predictions of thermal radiation from the medium. The mee excess spectra are reproduced, within uncertainties, by different predictions of the photon−photon production of dielectrons, where the photons originate from the extremely strong electromagnetic fields generated by the highly Lorentz-contracted Pb nuclei. Lowest-order quantum electrodynamic (QED) calculations, as well as a model that takes into account the impact-parameter dependence of the average transverse momentum of the photons, also provide a good description of the pT,ee spectra. The measured ⟨p2T,ee⟩−−−−−√ of the excess pT,ee spectrum in peripheral Pb−Pb collisions is found to be comparable to the values observed previously at RHIC in a similar phase-space region.
The search for materials with topological properties is an ongoing effort. In this article we propose a systematic statistical method, supported by machine learning techniques, that is capable of constructing topological models for a generic lattice without prior knowledge of the phase diagram. By sampling tight-binding parameter vectors from a random distribution, we obtain data sets that we label with the corresponding topological index. This labeled data is then analyzed to extract those parameters most relevant for the topological classification and to find their most likely values. We find that the marginal distributions of the parameters already define a topological model. Additional information is hidden in correlations between parameters. Here we present as a proof of concept the prediction of the Haldane model as the prototypical topological insulator for the honeycomb lattice in Altland-Zirnbauer (AZ) class A. The algorithm is straightforwardly applicable to any other AZ class or lattice, and could be generalized to interacting systems.
The interplay of electronic correlations, spin–orbit coupling and topology holds promise for the realization of exotic states of quantum matter. Models of strongly interacting electrons on honeycomb lattices have revealed rich phase diagrams featuring unconventional quantum states including chiral superconductivity and correlated quantum spin Hall insulators intertwining with complex magnetic order. Material realizations of these electronic states are, however, scarce or inexistent. In this work, we propose and show that stacking 1T-TaSe2 into bilayers can deconfine electrons from a deep Mott insulating state in the monolayer to a system of correlated Dirac fermions subject to sizable spin–orbit coupling in the bilayer. 1T-TaSe2 develops a Star-of-David charge density wave pattern in each layer. When the Star-of-David centers belonging to two adyacent layers are stacked in a honeycomb pattern, the system realizes a generalized Kane–Mele–Hubbard model in a regime where Dirac semimetallic states are subject to significant Mott–Hubbard interactions and spin–orbit coupling. At charge neutrality, the system is close to a quantum phase transition between a quantum spin Hall and an antiferromagnetic insulator. We identify a perpendicular electric field and the twisting angle as two knobs to control topology and spin–orbit coupling in the system. Their combination can drive it across hitherto unexplored grounds of correlated electron physics, including a quantum tricritical point and an exotic first-order topological phase transition.
Type-II multiferroic materials, in which ferroelectric polarization is induced by inversion non-symmetric magnetic order, promise new and highly efficient multifunctional applications based on mutual control of magnetic and electric properties. However, to date this phenomenon is limited to low temperatures. Here we report giant pressure-dependence of the multiferroic critical temperature in CuBr2: at 4.5 GPa it is enhanced from 73.5 to 162 K, to our knowledge the highest TC ever reported for non-oxide type-II multiferroics. This growth shows no sign of saturating and the dielectric loss remains small under these high pressures. We establish the structure under pressure and demonstrate a 60\% increase in the two-magnon Raman energy scale up to 3.6 GPa. First-principles structural and magnetic energy calculations provide a quantitative explanation in terms of dramatically pressure-enhanced interactions between CuBr2 chains. These large, pressure-tuned magnetic interactions motivate structural control in cuprous halides as a route to applied high-temperature multiferroicity.
The interaction of trimethyl(methylcyclopentadienyl)platinum(IV) ((C5H4CH3)Pt(CH3)3) molecules on fully and partially hydroxylated SiO2 surfaces, as well as the dynamics of this interaction were investigated using density functional theory (DFT) and finite temperature DFT-based molecular dynamics simulations. Fully and partially hydroxylated surfaces represent substrates before and after electron beam treatment and this study examines the role of electron beam pretreatment on the substrates in the initial stages of precursor dissociation and formation of Pt deposits. Our simulations show that on fully hydroxylated surfaces or untreated surfaces, the precursor molecules remain inactivated while we observe fragmentation of (C5H4CH3)Pt(CH3)3 on partially hydroxylated surfaces. The behavior of precursor molecules on the partially hydroxylated surfaces has been found to depend on the initial orientation of the molecule and the distribution of surface active sites. Based on the observations from the simulations and available experiments, we discuss possible dissociation channels of the precursor.
Formation of Hubbard-like bands as a fingerprint of strong electron-electron interactions in FeSe
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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 aim of the present overview article is to raise awareness of an essential aspect that is usually not accounted for in the modelling of electron transport for focused-electron-beam-induced deposition (FEBID) of nanostructures: Surface excitations are on the one hand responsible for a sizeable fraction of the intensity in reflection-electron-energy-loss spectra for primary electron energies of up to a few kiloelectronvolts and, on the other hand, they play a key role in the emission of secondary electrons from solids, regardless of the primary energy. In this overview work we present a general perspective of recent works on the subject of surface excitations and on low-energy electron transport, highlighting the most relevant aspects for the modelling of electron transport in FEBID simulations.
In the search for novel organic charge transfer salts with variable degrees of charge transfer we have studied the effects of two modifications of the recently synthesized donor–acceptor system [tetramethoxypyrene (TMP)]–[tetracyanoquinodimethane (TCNQ)]. One is of chemical nature by substituting the acceptor TCNQ molecules by F4TCNQ molecules. The second consists in simulating the application of uniaxial pressure along the stacking axis of the system. In order to test the chemical substitution, we have grown single crystals of the TMP–F4TCNQ complex and analyzed its electronic structure via electronic transport measurements, ab initio density functional theory (DFT) calculations and UV/VIS/IR absorption spectroscopy. This system shows an almost ideal geometrical overlap of nearly planar molecules stacked alternately (mixed stack) and this arrangement is echoed by a semiconductor-like transport behavior with an increased conductivity along the stacking direction. This is in contrast to TMP–TCNQ which shows a less pronounced anisotropy and a smaller conductivity response. Our band structure calculations confirm the one-dimensional behavior of TMP–F4TCNQ with pronounced dispersion only along the stacking axis. Infrared measurements illustrating the C[triple bond, length as m-dash]N vibration frequency shift in F4TCNQ suggest however no improvement in the degree of charge transfer in TMP–F4TCNQ with respect to TMP–TCNQ. In both complexes about 0.1e is transferred from TMP to the acceptor. Concerning the pressure effect, our DFT calculations on the designed TMP–TCNQ and TMP–F4TCNQ structures under different pressure conditions show that application of uniaxial pressure along the stacking axis of TMP–TCNQ may be the route to follow in order to obtain a much more pronounced charge transfer.
Recent density functional theory (DFT) calculations for KFe2As2 have been shown to be insufficient to satisfactorily describe angle-resolved photoemission (ARPES) measurements as well as observed de Haas–van Alphen (dHvA) frequencies. In the present work, we extend DFT calculations based on the full-potential linear augmented plane-wave method by dynamical mean field theory (DFT+DMFT) to include correlation effects beyond the local density approximation. We present results for two sets of reported crystal structures. Our calculations indicate that KFe2As2 is a moderately correlated metal with a mass renormalization factor of the Fe $3{\rm d}$ orbitals between 1.6 and 2.7. Furthermore, the obtained shape and size of the Fermi surface are in good agreement with ARPES measurements and we observe some topological changes with respect to DFT calculations such as the opening of an inner hole cylinder at the Z point. As a result, our calculated dHvA frequencies differ greatly from existing DFT results and qualitatively agree with experimental data. On this basis, we argue that correlation effects are important to understand the -presently under debate- nature of the superconducting state in KFe2As2.
We present a numerical investigation of energy and charge distributions during electron-beam-induced growth of tungsten nanostructures on SiO2 substrates by using a Monte Carlo simulation of the electron transport. This study gives a quantitative insight into the deposition of energy and charge in the substrate and in the already existing metallic nanostructures in the presence of the electron beam. We analyze electron trajectories, inelastic mean free paths, and the distribution of backscattered electrons in different compositions and at different depths of the deposit. We find that, while in the early stages of the nanostructure growth a significant fraction of electron trajectories still interacts with the substrate, when the nanostructure becomes thicker the transport takes place almost exclusively in the nanostructure. In particular, a larger deposit density leads to enhanced electron backscattering. This work shows how mesoscopic radiation-transport techniques can contribute to a model that addresses the multi-scale nature of the electron-beam-induced deposition (EBID) process. Furthermore, similar simulations can help to understand the role that is played by backscattered electrons and emitted secondary electrons in the change of structural properties of nanostructured materials during post-growth electron-beam treatments.
Electronic systems living on Archimedean lattices such as kagome and square–octagon networks are presently being intensively discussed for the possible realization of topological insulating phases. Coining the most interesting electronic topological states in an unbiased way is however not straightforward due to the large parameter space of possible Hamiltonians. A possible approach to tackle this problem is provided by a recently developed statistical learning method (Mertz and Valentí in Phys Rev Res 3:013132, 2021. https://doi.org/10.1103/PhysRevResearch.3.013132), based on the analysis of a large data sets of randomized tight-binding Hamiltonians labeled with a topological index. In this work, we complement this technique by introducing a feature engineering approach which helps identifying polynomial combinations of Hamiltonian parameters that are associated with non-trivial topological states. As a showcase, we employ this method to investigate the possible topological phases that can manifest on the square–octagon lattice, focusing on the case in which the Fermi level of the system lies at a high-order van Hove singularity, in analogy to recent studies of topological phases on the kagome lattice at the van Hove filling.
Controlling and understanding electron correlations in quantum matter is one of the most challenging tasks in materials engineering. In the past years a plethora of new puzzling correlated states have been found by carefully stacking and twisting two-dimensional van der Waals materials of different kind. Unique to these stacked structures is the emergence of correlated phases not foreseeable from the single layers alone. In Ta-dichalcogenide heterostructures made of a good metallic “1H”- and a Mott insulating “1T”-layer, recent reports have evidenced a cross-breed itinerant and localized nature of the electronic excitations, similar to what is typically found in heavy fermion systems. Here, we put forward a new interpretation based on first-principles calculations which indicates a sizeable charge transfer of electrons (0.4-0.6 e) from 1T to 1H layers at an elevated interlayer distance. We accurately quantify the strength of the interlayer hybridization which allows us to unambiguously determine that the system is much closer to a doped Mott insulator than to a heavy fermion scenario. Ta-based heterolayers provide therefore a new ground for quantum-materials engineering in the regime of heavily doped Mott insulators hybridized with metallic states at a van der Waals distance.
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.
The antiferromagnet and semimetal EuCd2As2 has recently attracted a lot of attention due to a wealth of topological phases arising from the interplay of topology and magnetism. In particular, the presence of a single pair of Weyl points is predicted for a ferromagnetic configuration of Eu spins along the c-axis in EuCd2As2. In the search for such phases, we investigate here the effects of hydrostatic pressure in EuCd2As2. For that, we present specific heat, transport and μSR measurements under hydrostatic pressure up to ∼2.5GPa, combined with {\it ab initio} density functional theory (DFT) calculations. Experimentally, we establish that the ground state of EuCd2As2 changes from in-plane antiferromagnetic (AFMab) to ferromagnetic at a critical pressure of ≈2\,GPa, which is likely characterized by the moments dominantly lying within the ab plane (FMab). The AFMab-FMab transition at such a relatively low pressure is supported by our DFT calculations. Furthermore, our experimental and theoretical results indicate that EuCd2As2 moves closer to the sought-for FMc state (moments ∥ c) with increasing pressure further. We predict that a pressure of ≈\,23\,GPa will stabilize the FMc state, if Eu remains in a 2+ valence state. Thus, our work establishes hydrostatic pressure as a key tuning parameter that (i) allows for a continuous tuning between magnetic ground states in a single sample of EuCd2As2 and (ii) enables the exploration of the interplay between magnetism and topology and thereby motivates a series of future experiments on this magnetic Weyl semimetal.
The rich functionalities of transition-metal oxides and their interfaces bear an enormous technological potential. Its realization in practical devices requires, however, a significant improvement of yet relatively low electron mobility in oxide materials. Recently, a mobility boost of about 2 orders of magnitude has been demonstrated at the spinel–perovskite γ-Al2O3/SrTiO3 interface compared to the paradigm perovskite–perovskite LaAlO3/SrTiO3 interface. We explore the fundamental physics behind this phenomenon from direct measurements of the momentum-resolved electronic structure of this interface using resonant soft-X-ray angle-resolved photoemission. We find an anomaly in orbital ordering of the mobile electrons in γ-Al2O3/SrTiO3 which depopulates electron states in the top SrTiO3 layer. This rearrangement of the mobile electron system pushes the electron density away from the interface, which reduces its overlap with the interfacial defects and weakens the electron–phonon interaction, both effects contributing to the mobility boost. A crystal-field analysis shows that the band order alters owing to the symmetry breaking between the spinel γ-Al2O3 and perovskite SrTiO3. Band-order engineering, exploiting the fundamental symmetry properties, emerges as another route to boost the performance of oxide devices.
We investigate the magnetism of a previously unexplored distorted spin-1/2 kagome model consisting of three symmetry-inequivalent nearest-neighbor antiferromagnetic Heisenberg couplings Jhexagon, J and J', and uncover a rich ground state phase diagram even at the classical level. Using analytical arguments and numerical techniques we identify a collinear Q = 0 magnetic phase, two unusual non-collinear coplanar Q = (1/3,1/3) phases and a classical spin liquid phase with a degenerate manifold of non-coplanar ground states, resembling the jammed spin liquid phase found in the context of a bond-disordered kagome antiferromagnet. We further show with density functional theory calculations that the recently synthesized Y-kapellasite Y3Cu9(OH)19Cl8 is a realization of this model and predict its ground state to lie in the region of Q = (1/3,1/3) order, which remains stable even after inclusion of quantum fluctuation effects within variational Monte Carlo and pseudofermion functional renormalization group. The presented model opens a new direction in the study of kagome antiferromagnets.
In recent years, the notion of 'Quantum Materials' has emerged as a powerful unifying concept across diverse fields of science and engineering, from condensed-matter and coldatom physics to materials science and quantum computing. Beyond traditional quantum materials such as unconventional superconductors, heavy fermions, and multiferroics, the field has significantly expanded to encompass topological quantum matter, two-dimensional materials and their van der Waals heterostructures, Moiré materials, Floquet time crystals, as well as materials and devices for quantum computation with Majorana fermions. In this Roadmap collection we aim to capture a snapshot of the most recent developments in the field, and to identify outstanding challenges and emerging opportunities. The format of the Roadmap, whereby experts in each discipline share their viewpoint and articulate their vision for quantum materials, reflects the dynamic and multifaceted nature of this research area, and is meant to encourage exchanges and discussions across traditional disciplinary boundaries. It is our hope that this collective vision will contribute to sparking new fascinating questions and activities at the intersection of materials science, condensed matter physics, device engineering, and quantum information, and to shaping a clearer landscape of quantum materials science as a new frontier of interdisciplinary scientific inquiry. We stress that this article is not meant to be a fully comprehensive review but rather an up-to-date snapshot of different areas of research on quantum materials with a minimal number of references focusing on the latest developments.
In the quest for materials with unconventional quantum phases, the organic triangular-lattice antiferromagnet κ-(ET)2Cu2(CN)3 has been extensively discussed as a quantum spin liquid (QSL) candidate. The description of its low temperature properties has become, however, a particularly challenging task. Recently, an intriguing quantum critical behaviour was suggested from low-temperature magnetic torque experiments. Here we highlight significant deviations of the experimental observations from a quantum critical scenario by performing a microscopic analysis of all anisotropic contributions, including Dzyaloshinskii–Moriya and multi-spin scalar chiral interactions. Instead, we show that disorder-induced spin defects provide a comprehensive explanation of the low-temperature properties. These spins are attributed to valence bond defects that emerge spontaneously as the QSL enters a valence-bond glass phase at low temperature. This theoretical treatment is applicable to a general class of frustrated magnetic systems and has important implications for the interpretation of magnetic torque, nuclear magnetic resonance, thermal transport and thermodynamic experiments.
The families of organic charge-transfer salts 𝜅-(BEDT-TTF)2𝑋 and 𝜅-(BETS)2𝑋, where BEDT-TTF and BETS stand for the organic donor molecules C10H8S8 and C10H8S4Se4, respectively, and X for an inorganic electron acceptor, have been proven to serve as a powerful playground for the investigation of the physics of frustrated Mott insulators. These materials have been ascribed a model character, since the dimerization of the organic molecules allows to map these materials onto a single band Hubbard model, in which the dimers reside on an anisotropic triangular lattice. By changing the inorganic unit X or applying physical pressure, the correlation strength and anisotropy of the triangular lattice can be varied. This has led to the discovery of a variety of exotic phenomena, including quantum-spin liquid states, a plethora of long-range magnetic orders in proximity to a Mott metal-insulator transition, and unconventional superconductivity. While many of these phenomena can be described within this effective one-band Hubbard model on a triangular lattice, it has become evident in recent years that this simplified description is insufficient to capture all observed magnetic and electronic properties. The ingredients for generalized models that are relevant include, but are not limited to, spin-orbit coupling, intra-dimer charge and spin degrees of freedom, electron-lattice coupling, as well as disorder effects. Here, we review selected theoretical and experimental discoveries that clearly demonstrate the relevance thereof. At the same time, we outline that these aspects are not only relevant to this class of organic charge-transfer salts, but are also receiving increasing attention in other classes of inorganic strongly correlated electron systems. This reinforces the model character that the 𝜅-phase organic charge-transfer salts have for understanding and discovering novel phenomena in strongly correlated electron systems from a theoretical and experimental point of view.
We explore the thermodynamics of the 1+1-dimensional Gross-Neveu (GN) model at a finite number of fermion flavors Nf, finite temperature, and finite chemical potential using lattice field theory. In the limit Nf→∞ the model has been solved analytically in the continuum. In this limit three phases exist: a massive phase, in which a homogeneous chiral condensate breaks chiral symmetry spontaneously; a massless symmetric phase with vanishing condensate; and most interestingly an inhomogeneous phase with a condensate, which oscillates in the spatial direction. In the present work we use chiral lattice fermions (naive fermions and SLAC fermions) to simulate the GN model with 2, 8, and 16 flavors. The results obtained with both discretizations are in agreement. Similarly as for Nf→∞ we find three distinct regimes in the phase diagram, characterized by a qualitatively different behavior of the two-point function of the condensate field. For Nf=8 we map out the phase diagram in detail and obtain an inhomogeneous region smaller as in the limit Nf→∞, where quantum fluctuations are suppressed. We also comment on the existence or absence of Goldstone bosons related to the breaking of translation invariance in 1+1 dimensions.
Presolar grain isotopic ratios as constraints to nuclear physics inputs for s-process calculations
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The isotopic abundances in presolar SiC grains of AGB origin provide important and precise constraints to those star nucleosynthesis models. By comparing the values of the s-element abundances resulting from calculations with the ones measured in these dust grains, it turns out that new measurements of weak-interaction rates in ionized plasmas, as well as of neutron-capture cross sections, are needed, especially in the region near the neutron magic numbers 50 and 82.
Results on proton and Λ flow, calculated with the UrQMD model that incorporates different realistic density dependent equations of state, are presented. It is shown that the proton and hyperon flow shows sensitivity to the equation of state and especially to the appearance of a phase transition at densities below 4n0. Even though qualitatively hyperons and protons exhibit the same beam energy dependence of the flow, the quantitative results are different. In this context it is suggested that the hyperon measurements can be used to study the density dependence of the hyperon interaction in high density QCD matter.
We study equilibrium as well as out-of-equilibrium properties of the strongly interacting QGP medium under extreme conditions of high temperature T and high baryon densities or baryon chemical potentials μB within a kinetic approach. We present the thermodynamic and transport properties of the QGP close to equilibrium in the framework of effective models with Nf=3 active quark flavours such as the Polyakov extended Nambu-Jona Lasinio (PNJL) and dynamical quasiparticle model with the CEP (DQPM-CP). Considering the transport coefficients and the EoS of the QGP phase, we compare our results with various results from the literature. Furthermore, out-of equilibrium properties of the QGP medium and in particular, the effect of a μB- dependence of thermodynamic and transport properties of the QGP are studied within the Parton-Hadron-String-Dynamics (PHSD) transport approach, which covers the full evolution of the system during HICs. We find that bulk observables and flow coefficients for strange hadrons as well as for antiprotons are more sensitive to the properties of the QGP, in particular to the μB - dependence of the QGP interactions.
Subensemble is a type of statistical ensemble which is the generalization of grand canonical and canonical ensembles. The subensemble acceptance method (SAM) provides general formulas to correct the cumulants of distributions in heavy-ion collisions for the global conservation of all QCD charges. The method is applicable for an arbitrary equation of state and sufficiently large systems, such as those created in central collisions of heavy ions. The new fluctuation measures insensitive to global conservation effects are presented. The main results are illustrated in the hadron resonance gas and van der Waals fluid frameworks.
We introduce a novel technique that utilizes a physics-driven deep learning method to reconstruct the dense matter equation of state from neutron star observables, particularly the masses and radii. The proposed framework involves two neural networks: one to optimize the EoS using Automatic Differentiation in the unsupervised learning scheme; and a pre-trained network to solve the Tolman–Oppenheimer–Volkoff (TOV) equations. The gradient-based optimization process incorporates a Bayesian picture into the proposed framework. The reconstructed EoS is proven to be consistent with the results from conventional methods. Furthermore, the resulting tidal deformation is in agreement with the limits obtained from the gravitational wave event, GW170817.
The appearance of strangeness in the form of hyperons within the inner core of neutron stars is expected to affect its detectable properties, such as its global structure or gravitational wave emission. This work explores the parameter space of hyperonic stars within the framework of the Relativistic Mean Field model allowed by the present uncertainties in the state-of-the-art nuclear and hypernuclear experimental data. We impose multi-physics constraints at different density regimes to restrict the parameter space: Chiral effective field theory, heavy-ion collision data, and multi-messenger astrophysical observations of neutron stars. We investigate possible correlations between empirical nuclear and hypernuclear parameters, particularly the symmetry energy and its slope, with observable properties of neutron stars. We do not find a correlation for the hyperon parameters and the astrophysical data. However, the inclusion of hyperons generates a tension between the astrophysical and heavy-ion data constraining considerably the available parameter space.
The time-dependent Schrödinger equation for quadratic Hamiltonians has Gaussian wave packets as exact solutions. For the parametric oscillator with frequency ω(t), the width of these wave packets must be time-dependent. This time-dependence can be determined by solving a complex nonlinear Riccati equation or an equivalent real nonlinear Ermakov equation. All quantum dynamical properties of the system can easily be constructed from these solutions, e.g., uncertainties of position and momentum, their correlations, ground state energies, etc. In addition, the link to the corresponding classical dynamics is supplied by linearizing the Riccati equation to a complex Newtonian equation, actually representing two equations of the same kind: one for the real and one for the imaginary part. If the solution of one part is known, the missing (linear independent) solution of the other can be obtained via a conservation law for the motion in the complex plane. Knowing these two solutions, the solution of the Ermakov equation can be determined immediately plus the explicit expressions for all the quantum dynamical properties mentioned above. The effect of a dissipative, linear velocity dependent friction force on these systems is discussed.
ALICE is the dedicated heavy-ion experiment at the CERN Large Hadron Collider (LHC). Its main tracking and particle-identification detector is a large volume Time Projection Chamber (TPC). The TPC has been designed to perform well in the high-track density environment created in high-energy heavy-ion collisions. In this proceeding, we describe the track reconstruction procedure in ALICE. In particular, we focus on the two main challenges that were faced during the Run 2 data-taking period (2015–2018) of the LHC, which were the baseline fluctuations and the local space charge distortions in the TPC. We present the corresponding solutions in detail and describe the software tools that allowed us to circumvent these challenges.
IHMCIF: an extension of the PDBx/mmCIF data standard for integrative structure determination methods
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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.
Substantial progress in the field of neuroscience has been made from anaesthetized preparations. Ketamine is one of the most used drugs in electrophysiology studies, but how ketamine affects neuronal responses is poorly understood. Here, we used in vivo electrophysiology and computational modelling to study how the auditory cortex of bats responds to vocalisations under anaesthesia and in wakefulness. In wakefulness, acoustic context increases neuronal discrimination of natural sounds. Neuron models predicted that ketamine affects the contextual discrimination of sounds regardless of the type of context heard by the animals (echolocation or communication sounds). However, empirical evidence showed that the predicted effect of ketamine occurs only if the acoustic context consists of low-pitched sounds (e.g., communication calls in bats). Using the empirical data, we updated the naïve models to show that differential effects of ketamine on cortical responses can be mediated by unbalanced changes in the firing rate of feedforward inputs to cortex, and changes in the depression of thalamo-cortical synaptic receptors. Combined, our findings obtained in vivo and in silico reveal the effects and mechanisms by which ketamine affects cortical responses to vocalisations.
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.
According to the inflationary theory of cosmology, most elementary particles in the current Universe were created during a period of reheating after inflation. In this Letter, we self-consistently couple the Einstein-inflaton equations to a strongly coupled quantum field theory as described by holography. We show that this leads to an inflating universe, a reheating phase, and finally a universe dominated by the quantum field theory in thermal equilibrium.
Off-central heavy-ion collisions are known to feature magnetic fields with magnitudes and characteristic gradients corresponding to the scale of the strong interactions. In this work, we employ equilibrium lattice simulations of the underlying theory, QCD, involving similar inhomogeneous magnetic field profiles to achieve a better understanding of this system. We simulate three flavors of dynamical staggered quarks with physical masses at a range of magnetic fields and temperatures, and extrapolate the results to the continuum limit. Analyzing the impact of the field on the quark condensate and the Polyakov loop, we find non-trivial spatial features that render the QCD medium qualitatively different as in the homogeneous setup, especially at temperatures around the transition. In addition, we construct leading-order chiral perturbation theory for the inhomogeneous background and compare its prediction to our lattice results at low temperature. Our findings will be useful to benchmark effective theories and low-energy models of QCD for a better description of peripheral heavy-ion collisions.
We use holography to study the dynamics of a strongly-coupled gauge theory in four-dimensional de Sitter space with Hubble rate H. The gauge theory is non-conformal with a characteristic mass scale M. We solve Einstein’s equations numerically and determine the time evolution of homogeneous gauge theory states. If their initial energy density is high compared with H4 then the early-time evolution is well described by viscous hydrodynamics with a non-zero bulk viscosity. At late times the dynamics is always far from equilibrium. The asymptotic late-time state preserves the full de Sitter symmetry group and its dual geometry is a domain-wall in AdS5. The approach to this state is characterised by an emergent relation of the form P = w ℰ that is different from the equilibrium equation of state in flat space. The constant w does not depend on the initial conditions but only on H/M and is negative if the ratio H/M is close to unity. The event and the apparent horizons of the late-time solution do not coincide with one another, reflecting its non-equilibrium nature. In between them lies an “entanglement horizon” that cannot be penetrated by extremal surfaces anchored at the boundary, which we use to compute the entanglement entropy of boundary regions. If the entangling region equals the observable universe then the extremal surface coincides with a bulk cosmological horizon that just touches the event horizon, while for larger regions the extremal surface probes behind the event horizon.
We use the quantum null energy condition in strongly coupled two-dimensional field theories (QNEC2) as diagnostic tool to study a variety of phase structures, including crossover, second and first order phase transitions. We find a universal QNEC2 constraint for first order phase transitions with kinked entanglement entropy and discuss in general the relation between the QNEC2-inequality and monotonicity of the Casini-Huerta c-function. We then focus on a specific example, the holographic dual of which is modelled by three-dimensional Einstein gravity plus a massive scalar field with one free parameter in the self-interaction potential. We study translation invariant stationary states dual to domain walls and black branes. Depending on the value of the free parameter we find crossover, second and first order phase transitions between such states, and the c-function either flows to zero or to a finite value in the infrared. We present evidence that evaluating QNEC2 for ground state solutions allows to predict the existence of phase transitions at finite temperature.
Holography has provided valuable insights into the time evolution of strongly coupled gauge theories in a fixed spacetime. However, this framework is insufficient if this spacetime is dynamical. We present a scheme to evolve a four-dimensional, strongly interacting gauge theory coupled to four-dimensional dynamical gravity in the semiclassical regime. As in previous work, we use holography to evolve the quantum gauge theory stress tensor, whereas the four-dimensional metric evolves according to Einstein’s equations coupled to the expectation value of the stress tensor. The novelty of our approach is that both the boundary and the bulk spacetimes are constructed dynamically, one time step at a time. We focus on Friedmann-Lemaître-Robertson-Walker geometries and evolve far-from-equilibrium initial states that lead to asymptotically expanding, flat or collapsing Universes.
We present a novel framework for the equation of state of dense and hot quantum chromodynamics (QCD), which focuses on the region of the phase diagram relevant for neutron star mergers and core-collapse supernovae. The model combines predictions from the gauge/gravity duality with input from lattice field theory, QCD perturbation theory, chiral effective theory, and statistical modeling. It is therefore, by construction, in good agreement with theoretical constraints both at low and high densities and temperatures. The main ingredients of our setup are the nonperturbative V-QCD model based on the gauge/gravity duality, a van der Waals model for nucleon liquid, and the DD2 version of the Hempel-Schaffner-Bielich statistical model of nuclear matter. By consistently combining these models, we also obtain a description for the nuclear to quark matter phase transition and its critical end point. The parameter dependence of the model is represented by three (soft, intermediate, and stiff) variants of the equation of state, all of which agree with observational constraints from neutron stars and their mergers. We discuss resulting constraints for the equation of state, predictions for neutron stars, and the location of the critical point.
Determining the sound speed cs in compact stars is an important open question with numerous implications on the behavior of matter at large densities and hence on gravitational-wave emission from neutron stars. To this scope, we construct more than 107 equations of state (EOSs) with continuous sound speed and build more than 108 nonrotating stellar models consistent not only with nuclear theory and perturbative QCD, but also with astronomical observations. In this way, we find that EOSs with subconformal sound speeds, i.e., with cs 1 3 2 < within the stars, are possible in principle but very unlikely in practice, being only 0.03% of our sample. Hence, it is natural to expect that cs 1 3 2 > somewhere in the stellar interior. Using our large sample, we obtain estimates at 95% credibility of neutron-star radii for representative stars with 1.4 and 2.0 solar masses, R1.4 12.42 km 0.99 0.52 = - + , R2.0 12.12 km 1.23 1.11 = - + , and for the binary tidal deformability of the GW170817 event, 1.186 485 211 225 L = - ˜ + . Interestingly, our lower bounds on the radii are in very good agreement with the prediction derived from very different arguments, namely, the threshold mass. Finally, we provide simple analytic expressions to determine the minimum and maximum values of L˜ as a function of the chirp mass.
Using more than a million randomly generated equations of state that satisfy theoretical and observational constraints, we construct a novel, scale-independent description of the sound speed in neutron stars, where the latter is expressed in a unit cube spanning the normalized radius, r/R, and the mass normalized to the maximum one, M/MTOV. From this generic representation, a number of interesting and surprising results can be deduced. In particular, we find that light (heavy) stars have stiff (soft) cores and soft (stiff) outer layers, or that the maximum of the sound speed is located at the center of light stars but moves to the outer layers for stars with M/MTOV ≳ 0.7, reaching a constant value of cs = 1 2 2 as M → MTOV. We also show that the sound speed decreases below the conformal limit cs = 1 3 2 at the center of stars with M = MTOV. Finally, we construct an analytic expression that accurately describes the radial dependence of the sound speed as a function of the neutron-star mass, thus providing an estimate of the maximum sound speed expected in a neutron star.
We have investigated the systematic differences introduced when performing a Bayesian-inference analysis of the equation of state (EOS) of neutron stars employing either variable- or constant-likelihood functions. The former has the advantage of retaining the full information on the distributions of the measurements, making exhaustive usage of the data. The latter, on the other hand, has 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 gravitational waves observations, as well as those from chiral effective theory and perturbative quantum chromodynamics. In all cases, the two approaches lead to very similar results and the 90% confidence levels essentially overlap. Some differences do appear, but in regions where the probability density is extremely small and are mostly due to the sharp cutoff on the binary tidal deformability L˜ 720 set in the constant-likelihood approach. Our analysis has also produced two additional results. First, an inverse correlation between the normalized central number density, 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 and the binary tidal deformability. The importance of this result is that it relates chirp, which is measured very accurately, and L˜ , which contains important information on the EOS. Hence, when chirp is measured in future detections, our relation can be used to set tight constraints on L˜ .
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 assess 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 modeling of the X-ray emission from the surface of rotating stars.
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.
The amplification of magnetic fields plays an important role in explaining numerous astrophysical phenomena associated with binary neutron star mergers, such as mass ejection and the powering of short gamma-ray bursts. Magnetic fields in isolated neutron stars are often assumed to be confined to a small region near the stellar surface, while they are normally taken to fill the whole star in numerical modeling of mergers. By performing high-resolution, global, and high-order general-relativistic magnetohydrodynamic simulations, we investigate the impact of a purely crustal magnetic field and contrast it with the standard configuration consisting of a dipolar magnetic field with the same magnetic energy but filling the whole star. While the crust configurations are very effective in generating strong magnetic fields during the Kelvin–Helmholtz-instability stage, they fail to achieve the same level of magnetic-field amplification of the full-star configurations. This is due to the lack of magnetized material in the neutron-star interiors to be used for further turbulent amplification and to the surface losses of highly magnetized matter in the crust configurations. Hence, the final magnetic energies in the two configurations differ by more than 1 order of magnitude. We briefly discuss the impact of these results on astrophysical observables and how they can be employed to deduce the magnetic topology in merging binaries.
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.
We search for the semi-leptonic decays Λ + c → Λπ+π−e+νe and Λ + c → pK0 Sπ−e+νe in a sample of 4.5 fb−1 of e+e− annihilation data collected in the center-of-mass energy region between 4.600 GeV and 4.699 GeV by the BESIII detector at the BEPCII. No significant signals are observed, and the upper limits on the decay branching fractions are set to be B(Λ+c → Λπ+π−e+νe ) < 3.9 × 10−4 and B(Λ + c → pK0Sπ−e+νe ) < 3.3 × 10−4 at the 90% confidence level, respectively.
Based on 4.5 fb−1 data taken at seven center-of-mass energies ranging from 4.600 to 4.699 GeV with the BESIII detector at the BEPCII collider, we measure the branching fractions of Λ + c → Σ + + hadrons relative to Λ + c → Σ +π +π −. Combining with the world average branching fraction of Λ + c → Σ +π +π −, their branching fractions are measured to be (0.377 ± 0.042 ± 0.020 ± 0.021)% for Λ + c → Σ +K+K−, (0.200 ± 0.023 ± 0.011 ± 0.011)% for Λ + c → Σ+K+π−, (0.414 ± 0.080 ± 0.030 ± 0.023)% for Λ + c → Σ +φ and (0.197 ± 0.036 ± 0.009 ± 0.011)% for Λ + c → Σ +K+K−(non-φ). In all the above results, the first uncertainties are statistical, the second are systematic and the third are from external input of the branching fraction of Λ + c → Σ +π +π −. Since no signal for Λ + c → Σ +K+π−π 0 is observed, the upper limit of its branching fraction is determined to be 0.13% at the 90% confidence level.
We study the decays of J/ψ and ψ(3686) to the final states Σ(1385)0Σ¯(1385)0 and Ξ0Ξ¯0 based on a single baryon tag method using data samples of (1310.6±7.0)×106 J/ψ and (447.9±2.9)×106 ψ(3686) events collected with the BESIII detector at the BEPCII collider. The decays to Σ(1385)0Σ¯(1385)0 are observed for the first time. The measured branching fractions of J/ψ and ψ(3686)→Ξ0Ξ¯0 are in good agreement with, and much more precise, than the previously published results. The angular parameters for these decays are also measured for the first time. The measured angular decay parameter for J/ψ→Σ(1385)0Σ¯(1385)0, α=−0.64±0.03±0.10, is found to be negative, different to the other decay processes in this measurement. In addition, the "12\% rule" and isospin symmetry in the J/ψ and ψ(3686)→ΞΞ¯ and Σ(1385)Σ¯(1385) systems are tested.
By analyzing 2.93 fb−1 of data taken at the ψ(3770) resonance peak with the BESIII detector, we measure the branching fractions for the hadronic decays D+ → K0S K0S K +, D+ → K0S K0Sπ+, D0 → K0S K0S and D0 → K0S K0S K0S . They are determined to be B(D+ → K0S K0S K +) = (2.54 ± 0.05stat. ± 0.12sys.) × 10−3, B(D+ → K0S K0Sπ+) = (2.70 ± 0.05stat. ± 0.12sys.) × 10−3, B(D0 → K0S K0S ) = (1.67 ± 0.11stat. ± 0.11sys.) × 10−4 and B(D0 → K0S K0S K0S ) = (7.21 ± 0.33stat. ± 0.44sys.) × 10−4, where the second one is measured for the first time and the others are measured with significantly improved precision over the previous measurements.
We search for an axion-like particle (ALP) a through the process ψ(3686)→π+π−J/ψ, J/ψ→γa, a→γγ in a data sample of (2.71±0.01)×109 ψ(3686) events collected by the BESIII detector. No significant ALP signal is observed over the expected background, and the upper limits on the branching fraction of the decay J/ψ→γa and the ALP-photon coupling constant gaγγ are set at 95% confidence level in the mass range of 0.165≤ma≤2.84GeV/c2. The limits on B(J/ψ→γa) range from 8.3×10−8 to 1.8×10−6 over the search region, and the constraints on the ALP-photon coupling are the most stringent to date for 0.165≤ma≤1.468GeV/c2.
During the 2016-17 and 2018-19 running periods, the BESIII experiment collected 7.5 fb -1 of e+e− collision data at center-of-mass energies ranging from 4.13 to 4.44 GeV. These data samples are primarily used for the study of excited charmonium and charmoniumlike states. By analyzing the di-muon process e+e− (γISR/FSR)µ -> +µ-, we measure the center-of-mass energies of the data samples with a precision of 0.6 MeV. Through a run-by-run study, we find that the center-of-mass energies were stable throughout most of the data-collection period.
Using a sample of (10087±44)×106 𝐽/𝜓 events, which is about 45 times larger than that was previously analyzed, a further investigation on the 𝐽/𝜓→𝛾3(𝜋+𝜋−) decay is performed. A significant distortion at 1.84 GeV/𝑐2 in the line shape of the 3(𝜋+𝜋−) invariant mass spectrum is observed for the first time, which could be resolved by two overlapping resonant structures, 𝑋(1840) and 𝑋(1880). The new state 𝑋(1880) is observed with a statistical significance larger than 10𝜎. The mass and width of 𝑋(1880) are determined to be 1882.1±1.7±0.7 MeV/𝑐2 and 30.7±5.5±2.4 MeV, respectively, which indicates the existence of a 𝑝¯ 𝑝 bound state.
Using data samples with an integrated luminosity of 22.42 fb−1 collected by the BESIII detector operating at the BEPCII storage ring, we measure the cross sections of the 𝑒+𝑒−→𝜂𝐽/𝜓 process at center-of-mass energies from 3.808 to 4.951 GeV. Three structures are observed in the line shape of the measured cross sections. A maximum-likelihood fit with 𝜓(4040), two additional resonances, and a nonresonant component are performed. The mass and width of the first additional state are (4219.7±2.5±4.5) MeV/𝑐2 and (80.7±4.4±1.4) MeV, respectively, consistent with the 𝜓(4230). For the second state, the mass and width are (4386±13±17) MeV/𝑐2 and (177±32±13) MeV, respectively, consistent with the 𝜓(4360). The first uncertainties are statistical, and the second ones are systematic. The statistical significance of 𝜓(4040) is 8.0𝜎 and those for 𝜓(4230) and 𝜓(4360) are more than 10.0𝜎.
Based on e+e− collision data collected at center-of-mass energies from 2.000 to 3.080 GeV by the BESIII detector at the BEPCII collider, a partial wave analysis isperformed for the process e+e− → K0SK0Lπ0. The results allow the Born cross sections of the process e+e− → K0SK0Lπ0, as well as its subprocesses e+e− → K∗(892)0K¯ 0 and K∗2(1430)0K¯ 0 to be measured. The Born cross sections for e+e− → K0SK0 Lπ 0 are consistent with previous measurements by BaBar, but with substantially improved precision. The Born cross section lineshape of the process e+e − → K∗(892)0K¯ 0 is consistent with a vector meson state around 2.2 GeV with a signifcance of 3.2σ. A Breit-Wigner ft determines its mass as MY = (2164.7 ± 9.1 ± 3.1) MeV/c2 and its width as ΓY = (32.4 ± 21.0 ± 1.8) MeV.
Using (1.0087±0.0044)×1010 𝐽/𝜓 events collected by the BESIII detector at the BEPCII collider, we report the first search for the baryon and lepton number violating decays Ξ0→𝐾−𝑒+ with Δ(𝐵−𝐿)=0 and Ξ0→𝐾+𝑒− with |Δ(𝐵−𝐿)|=2, where 𝐵 (𝐿) is the baryon (lepton) number. While no signal is observed, the upper limits on the branching fractions of these two decays are set to ℬ(Ξ0→𝐾−𝑒+)<3.6×10−6 and ℬ(Ξ0→𝐾+𝑒−)<1.9×10−6 at the 90% confidence level, respectively. These results offer a direct probe of baryon number violating interactions involving a strange quark.
Using an 𝑒+𝑒− collision data sample of (27.08±0.14)×108 𝜓(3686) events collected by the BESIII detector, we report the first observation of 𝜒𝑐𝐽→Ω−¯Ω+ (𝐽=0, 1, 2) decays with significances of 5.6𝜎, 6.4𝜎, and 18𝜎, respectively, where the 𝜒𝑐𝐽 mesons are produced in the radiative 𝜓(3686) decays. The branching fractions are determined to be ℬ(𝜒𝑐0→Ω−¯Ω+) = (3.51±0.54±0.29)×10−5, ℬ(𝜒𝑐1→Ω−¯Ω+)=(1.49±0.23±0.10)×10−5, and ℬ(𝜒𝑐2→Ω−¯Ω+)=(4.52±0.24±0.18)×10−5, where the first and second uncertainties are statistical and systematic, respectively.
The Ξ0 asymmetry parameters are measured using entangled quantum Ξ0 − Ξ¯ 0 pairs from a sample of ð448.1 2.9Þ × 106 ψð3686Þ events collected with the BESIII detector at BEPCII. The relative phase between the transition amplitudes of the Ξ0Ξ¯ 0 helicity states is measured to be ΔΦ ¼ −0.050 0.150 0.020 rad, which implies that there is no obvious polarization at the current level of statistics. The decay parameters of the Ξ0 hyperon ðαΞ0 ; αΞ¯ 0 ; ϕΞ0 ; ϕΞ¯ 0 Þ and the angular distribution parameter ½αψð3686Þ and ΔΦ are measured simultaneously for the first time. In addition, the CP asymmetry observables are determined to be AΞ0 CP ¼ ðαΞ0 þ αΞ¯ 0 Þ=ðαΞ0 − αΞ¯ 0 Þ ¼ −0.007 0.082 0.025 and ΔϕΞ0 CP ¼ ðϕΞ0 þ ϕΞ¯ 0 Þ=2 ¼ −0.079 0.082 0.010 rad, which are consistent with CP conservation.
The article investigates the results obtained from numerical simulations and experimental tests concerning the propagation of guided waves in corroded steel plates. Developing innovative methodologies for assessing corrosion-induced degradation is crucial for accurately diagnosing offshore and ship structures exposed to harsh environmental conditions. The main aim of the research is to analyze how surface irregularities affect wave propagation characteristics. An investigation was conducted for antisymmetric fundamental mode A0. Specifically, the study examines the asymmetrical wavefronts generated by nonuniform thickness in damaged specimens. Initially, numerical analysis explores the impact of thickness variation on wave field symmetry. Corroded plates with varying levels of degradation are modeled using the random fields approach, with degradation levels ranging from 0 % to 60 %. Subsequently, the research investigates how the standard deviation of thickness distribution (from 5 % to 20 % of the initial thickness) and excitation frequency (from 50 to 150 kHz) influence recorded signals and the shape of reconstructed wavefronts. Each scenario compares wavefront symmetry levels estimated using rotational and bilateral symmetry degrees as indicative parameters. The numerical simulations are complemented by experimental tests conducted on plates with three different degradation levels. The results demonstrate the efficacy of the proposed wave field analysis approach for assessing structural integrity, as evidenced by the agreement between numerical predictions and experimental observations.
The production of K∗(892)± meson resonance is measured at midrapidity (|y|<0.5) in Pb−Pb collisions at √sNN=5.02 TeV using the ALICE detector at the CERN Large Hadron Collider. The resonance is reconstructed via its hadronic decay channel K∗(892)±→K0Sπ±. The transverse momentum distributions are obtained for various centrality intervals in the pT range of 0.4−16 GeV/c . Measurements of integrated yields, mean transverse momenta, and particle yield ratios are reported and found to be consistent with previous ALICE measurements for K∗(892)0 within uncertainties. The pT-integrated yield ratio 2K∗(892)±/(K++K−) in central Pb−Pb collisions shows a significant suppression at a level of 9.3σ relative to pp collisions. Thermal model calculations result in an overprediction of the particle yield ratio. Although both hadron resonance gas in partial chemical equilibrium (HRG-PCE) and music + smash simulations consider the hadronic phase, only HRG-PCE accurately represents the measurements, whereas music + smash simulations tend to overpredict the particle yield ratio. These observations, along with the kinetic freeze-out temperatures extracted from the yields measured for light-flavored hadrons using the HRG-PCE model, indicate a finite hadronic phase lifetime, which decreases with increasing collision centrality percentile. The pT-differential yield ratios 2K∗(892)±/(K++K−) and 2K∗(892)±/(π++π−) are presented and compared with measurements in pp collisions at √s=5.02 TeV. Both pa rticle ratios are found to be suppressed by up to a factor of five at pT<2.0 GeV/c in central Pb−Pb collisions and are qualitatively consistent with expectations for rescattering effects in the hadronic phase. The nuclear modification factor (RAA) shows a smooth evolution with centrality and is found to be below unity at pT>8 GeV/c, consistent with measurements for other light-flavored hadrons. The smallest values are observed in most central collisions, indicating larger energy loss of partons traversing the dense medium.
A new, more precise measurement of the Λ hyperon lifetime is performed using a large data sample of Pb–Pb collisions at √sNN p ¼ 5.02 TeV with ALICE. The Λ and Λ¯ hyperons are reconstructed at midrapidity using their two-body weak decay channel Λ → p þ π− and Λ¯ → p¯ þ πþ. The measured value of the Λ lifetime is τΛ ¼ ½261.07 0.37ðstat:Þ 0.72ðsyst:Þ ps. The relative difference between the lifetime of Λ and Λ¯ , which represents an important test of CPT invariance in the strangeness sector, is also measured. The obtained value ðτΛ − τΛ¯Þ=τΛ ¼ 0.0013 0.0028ðstat:Þ 0.0021ðsyst:Þ is consistent with zero within the uncertainties. Both measurements of the Λ hyperon lifetime and of the relative difference between τΛ and τΛ¯ are in agreement with the corresponding world averages of the Particle Data Group and about a factor of three more precise.
The production of prompt +c baryons has been measured at midrapidity in the transverse momentum interval 0 < pT < 1 GeV/c for the first time, in pp and p–Pb collisions at a center-of-mass energy per nucleon-nucleon collision √sNN = 5.02 TeV. The measurement was performed in the decay channel +c → pK0S by applying new decay reconstruction techniques using a Kalman-Filter vertexing algorithm and adopting a machine-learning approach for the candidate selection. The pT -integrated +c production cross sections in both collision systems were determined and used along with the measured yields in Pb–Pb collisions to compute the pT -integrated nuclear modification factors RpPb and RAA of +c baryons, which are compared to model calculations that consider nuclear modification of the parton distribution functions. The +c /D0 baryon-to-meson yield ratio is reported for pp and p–Pb collisions. Comparisons with models that include modified hadronization processes are presented, and the implications of the results on the understanding of charm hadronization in hadronic collisions are discussed. A significant (3.7σ) modification of the mean transverse momentum of + c baryons is seen in p–Pb collisions with respect to pp collisions, while the pT -integrated +c /D0 yield ratio was found to be consistent between the two collision systems within the uncertainties.
The inclusive production of the charm-strange baryon Ω0c is measured for the first time via its semileptonic decay into Ω−e+νe at midrapidity (|y| < 0.8) in proton–proton (pp) collisions at the centre-of-mass energy √s = 13 TeV with the ALICE detector at the LHC. The transverse momentum (pT) differential cross section multiplied by the branching ratio is presented in the interval 2 < pT < 12 GeV/c. The branching-fraction ratio BR(Ω0c → Ω−e+νe)/BR(Ω0c → Ω−π+) is measured to be 1.12 ± 0.22 (stat.) ± 0.27 (syst.). Comparisons with other experimental measurements, as well as with theoretical calculations, are presented.
The measurement of the production of deuterons, tritons and 3He and their antiparticles in Pb-Pb collisions at √sNN = 5.02 TeV is presented in this article. The measurements are carried out at midrapidity (y|< 0.5) as a function of collision centrality using the ALICE detector. The pT-integrated yields, the coalescence parameters and the ratios to protons and antiprotons are reported and compared with nucleosynthesis models. The comparison of these results in different collision systems at different center-of-mass collision energies reveals a suppression of nucleus production in small systems. In the Statistical Hadronisation Model framework, this can be explained by a small correlation volume where the baryon number is conserved, as already shown in previous fluctuation analyses. However, a different size of the correlation volume is required to describe the proton yields in the same data sets. The coalescence model can describe this suppression by the fact that the wave functions of the nuclei are large and the fireball size starts to become comparable and even much smaller than the actual nucleus at low multiplicities.
The knowledge of the material budget with a high precision is fundamental for measurements of direct photon production using the photon conversion method due to its direct impact on the total systematic uncertainty. Moreover, it influences many aspects of the charged-particle reconstruction performance. In this article, two procedures to determine data-driven corrections to the material-budget description in ALICE simulation software are developed. One is based on the precise knowledge of the gas composition in the Time Projection Chamber. The other is based on the robustness of the ratio between the produced number of photons and charged particles, to a large extent due to the approximate isospin symmetry in the number of produced neutral and charged pions. Both methods are applied to ALICE data allowing for a reduction of the overall material budget systematic uncertainty from 4.5% down to 2.5%. Using these methods, a locally correct material budget is also achieved. The two proposed methods are generic and can be applied to any experiment in a similar fashion.
Long- and short-range correlations for pairs of charged particles are studied via two-particle angular correlations in pp collisions at √sNN = 13 TeV and p–Pb collisions at √s = 5.02 TeV. The correlation functions are measured as a function of relative azimuthal angle ∆φ and pseudorapidity separation ∆η for pairs of primary charged particles within the pseudorapidity interval |η| < 0.9 and the transverse-momentum interval 1 < pT < 4 GeV/c. Flow coefficients are extracted for the long-range correlations (1.6 < |∆η| < 1.8) in various high-multiplicity event classes using the low-multiplicity template fit method. The method is used to subtract the enhanced yield of away-side jet fragments in high-multiplicity events. These results show decreasing flow signals toward lower multiplicity events. Furthermore, the flow coefficients for events with hard probes, such as jets or leading particles, do not exhibit any significant changes compared to those obtained from high-multiplicity events without any specific event selection criteria. The results are compared with hydrodynamic-model calculations, and it is found that a better understanding of the initial conditions is necessary to describe the results, particularly for low-multiplicity events.
The free energy of TAP-solutions for the SK-model of mean field spin glasses can be expressed as a nonlinear functional of local terms: we exploit this feature in order to contrive abstract REM-like models which we then solve by a classical large deviations treatment. This allows to identify the origin of the physically unsettling quadratic (in the inverse of temperature) correction to the Parisi free energy for the SK-model, and formalizes the true cavity dynamics which acts on TAP-space, i.e. on the space of TAP-solutions. From a non-spin glass point of view, this work is the first in a series of refinements which addresses the stability of hierarchical structures in models of evolving populations.
Human feline leukaemia virus subgroup C receptor-related proteins 1 and 2 (FLVCR1 and FLVCR2) are members of the major facilitator superfamily1. Their dysfunction is linked to several clinical disorders, including PCARP, HSAN and Fowler syndrome2,3,4,5,6,7. Earlier studies concluded that FLVCR1 may function as a haem exporter8,9,10,11,12, whereas FLVCR2 was suggested to act as a haem importer13, yet conclusive biochemical and detailed molecular evidence remained elusive for the function of both transporters14,15,16. Here, we show that FLVCR1 and FLVCR2 facilitate the transport of choline and ethanolamine across the plasma membrane, using a concentration-driven substrate translocation process. Through structural and computational analyses, we have identified distinct conformational states of FLVCRs and unravelled the coordination chemistry underlying their substrate interactions. Fully conserved tryptophan and tyrosine residues form the binding pocket of both transporters and confer selectivity for choline and ethanolamine through cation–π interactions. Our findings clarify the mechanisms of choline and ethanolamine transport by FLVCR1 and FLVCR2, enhance our comprehension of disease-associated mutations that interfere with these vital processes and shed light on the conformational dynamics of these major facilitator superfamily proteins during the transport cycle.
We present a relativistic Shakhov-type generalization of the Anderson-Witting relaxation time model for the Boltzmann collision integral to modify the ratio of momentum diffusivity to thermal diffusivity. This is achieved by modifying the path on which the single particle distribution function fk approaches local equilibrium f0k by constructing an intermediate Shakhov-type distribution fSk similar to the 14-moment approximation of Israel and Stewart. We illustrate the effectiveness of this model in case of the Bjorken expansion of an ideal gas of massive particles and the damping of longitudinal waves through an ultrarelativistic ideal gas.
We extract the e+e− →π+π− cross section in the energy range between 600 and 900 MeV, exploiting the method of initial state radiation. A data set with an integrated luminosity of 2.93 fb−1 taken at a center-of-mass energy of 3.773 GeV with the BESIII detector at the BEPCII collider is used. The cross section is measured with a systematic uncertainty of 0.9%. We extract the pion form factor |Fπ|2 as well as the contribution of the measured cross section to the leading-order hadronic vacuum polarization contribution to (g−2)μ. We find this value to be aππ,LO μ (600–900 MeV) = (368.2 ±2.5stat±3.3sys) ·10−10, which is between the corresponding values using the BaBar or KLOE data.
In Ref. [1] the BESIII collaboration published a cross section measurement of the process e+e− → π+π− in the energy range between 600 and 900 MeV. In this corrigendum, we report a corrected evaluation of the statistical errors in terms of a fully propagated covariance matrix. The correction also yields a reduced statistical uncertainty for the hadronic vacuum polarization contribution to the anomalous magnetic moment of the muon, which now reads as aππ,LO μ (600 − 900 MeV) = (368.2 ± 1.5stat ± 3.3syst) × 10−10. The central values of the cross section measurement and of aππ,LO μ , as well as the systematic uncertainties remain unchanged.
We report on the first search for ¯Λ−Λ oscillations in the decay 𝐽/𝜓→𝑝𝐾−¯Λ+c.c. by analyzing 1.31×109 𝐽/𝜓 events accumulated with the BESIII detector at the BEPCII collider. The 𝐽/𝜓 events are produced using 𝑒+𝑒− collisions at a center of mass energy √𝑠=3.097 GeV. No evidence for hyperon oscillations is observed. The upper limit for the oscillation rate of ¯Λ to Λ hyperons is determined to be 𝒫(Λ)=[ℬ(𝐽/𝜓→𝑝𝐾−Λ+c.c.)/ℬ(𝐽/𝜓→𝑝𝐾−¯Λ+c.c.)]<4.4×10−6 corresponding to an oscillation parameter 𝛿𝑚Λ¯Λ of less than 3.8×10−18 GeV at the 90% confidence level.
We use lattice QCD to investigate the existence of strong-interaction-stable antiheavy-antiheavy-light-light tetraquarks. We study the ¯𝑏¯𝑏𝑢𝑠 system with quantum numbers 𝐽𝑃=1+ as well as the ¯𝑏¯𝑐𝑢𝑑 systems with quantum numbers 𝐼(𝐽𝑃)=0(0+) and 𝐼(𝐽𝑃)=0(1+). We carry out computations on five gauge-link ensembles with 2+1 flavors of domain-wall fermions, including one at the physical pion mass. The bottom quarks are implemented using lattice nonrelativistic QCD, and the charm quarks using an anisotropic clover action. In addition to local diquark-antidiquark and local meson-meson interpolating operators, we include nonlocal meson-meson operators at the sink, which facilitates the reliable determination of the low-lying energy levels. We find clear evidence for the existence of a strong-interaction-stable ¯𝑏¯𝑏𝑢𝑠 tetraquark with binding energy (−86±22±10) MeV and mass (10609±22±10) MeV. For the ¯𝑏¯𝑐𝑢𝑑 systems we do not find any indication for the existence of bound states, but cannot rule out their existence either.
A search for the charged lepton flavor violating decay 𝐽/𝜓→𝑒±𝜏∓ with 𝜏∓→𝜋∓𝜋0𝜈𝜏 is performed with about 10×109 𝐽/𝜓 events collected with the BESIII detector at the BEPCII. No significant signal is observed, and an upper limit is set on the branching fraction ℬ(𝐽/𝜓→𝑒±𝜏∓)<7.5×10−8 at the 90% confidence level. This improves the previously published limit by two orders of magnitude.