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At least 955 records · Page 53

MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration

Specialized or secondary metabolites are small molecules of biological origin, often showing potent biological activities with applications in agriculture, engineering and medicine. Usually, the biosynthesis of these natural products is governed by sets of co-regulated and physically clustered genes known as biosynthetic gene clusters (BGCs). To share information about BGCs in a standardized and machine-readable way, the Minimum Information about a Biosynthetic Gene cluster (MIBiG) data standard and repository was initiated in 2015. Since its conception, MIBiG has been regularly updated to expand data coverage and remain up to date with innovations in natural product research. Here, we describe MIBiG version 4.0, an extensive update to the data repository and the underlying data standard. In a massive community annotation effort, 267 contributors performed 8304 edits, creating 557 new entries and modifying 590 existing entries, resulting in a new total of 3059 curated entries in MIBiG. Particular attention was paid to ensuring high data quality, with automated data validation using a newly developed custom submission portal prototype, paired with a novel peer-reviewing model. MIBiG 4.0 also takes steps towards a rolling release model and a broader involvement of the scientific community. MIBiG 4.0 is accessible online at https://mibig.secondarymetabolites.org/.

59 BASIC BIOLOGICAL SCIENCES↗

Exascale applications: skin in the game

As noted in Wikipedia, skin in the game refers to having ‘incurred risk by being involved in achieving a goal’, where ‘ skin is a synecdoche for the person involved, and game is the metaphor for actions on the field of play under discussion’. For exascale applications under development in the US Department of Energy Exascale Computing Project, nothing could be more apt, with the skin being exascale applications and the game being delivering comprehensive science-based computational applications that effectively exploit exascale high-performance computing technologies to provide breakthrough modelling and simulation and data science solutions. These solutions will yield high-confidence insights and answers to the most critical problems and challenges for the USA in scientific discovery, national security, energy assurance, economic competitiveness and advanced healthcare. This article is part of a discussion meeting issue ‘Numerical algorithms for high-performance computational science’.

97 MATHEMATICS AND COMPUTING↗

𝛾-ray spectroscopy of 140 La decay for nuclear forensics applications

140 La is an important isotope in nuclear forensics. It is typically paired with 140 Ba as a chronometer for dating nuclear events. Here, in this work, we report the results of two measurements performed to fully characterize the decay scheme of 140 La. The experiments were performed using the Gammasphere array at Argonne National Laboratory and the CLARION2 array at Florida State University. Sources of 140 La were produced through neutron irradiation of natural lanthanum (99.9% 139 La) in the University of Massachusetts Lowell research reactor. We identify a total of 40 transitions, three of which were not previously reported. An angular correlation analysis was conducted confirming current literature 𝐽 assignments and mixing ratios. By considering all data available in the literature, we provide new recommended values for the intensities of the strongest transitions commonly used in applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Triaxiality and shape dynamics in 70 Ge

The electromagnetic properties of low-lying states in 70 Ge were investigated via multi-step Coulomb excitation of a 70 Ge beam impinging on a 208 Pb target at the ATLAS facility of the Argonne National Laboratory. A total of 27 transitional elements and six diagonal matrix elements coupling 11 low-lying states, were extracted from the measured cross sections. These were used to calculate reduced transition probabilities, spectroscopic quadrupole moments, and rotational invariant shape parameters, providing enhanced precision and expanding on previous studies. The experimental data were compared within several theoretical frameworks, including the generalized triaxial rotor model, configuration interaction shell-model calculations, and computations within the combined frameworks of relativistic density functional theory and the five-dimensional collective Hamiltonian. The results demonstrate a good agreement with the experimental data and, in conjunction with calculations using a two-state mixing model, support significant triaxiality and strong mixing between the 0$^{+}_{1}$ and 0$^{+}_{2}$ states. This results in the magnitudes of their respective quadrupole deformations [β rms (0$^{+}_{1}$) = 0.228 (3), β rms (0$^{+}_{2}$) = 0.273 (1)] being more similar than previously observed. Furthermore, the implications of these results for understanding the complex shape coexistence phenomena, the role of triaxiality, and shape evolution along the Ge isotopic chain are discussed.

59 ≤ A ≤ 89↗

Resonance Ionization Spectroscopy Experiment at Facility for Rare Isotope Beams

This manuscript reports on the commissioning of the Resonance Ionization Spectroscopy Experiment (RISE) at the BEam COoler and LAser spectroscopy (BECOLA) facility at Facility for Rare Isotope Beams (FRIB). The instrument implements the collinear resonance ionization spectroscopy technique for sensitive measurements of isotope shifts and hyperfine structure of short-lived isotopes produced at FRIB. The existing BECOLA beamline was extended to integrate an electrostatic ion-beam bender and an ion detector at ultrahigh vacuum. An injection-seeded titanium-sapphire laser and a multiharmonic pulsed neodymium-doped yttrium aluminum garnet laser were installed to perform resonant excitation and selective ionization. Commissioning tests were performed to demonstrate the capabilities of the instrument by measuring the hyperfine structure of stable 27 Al produced in an offline ion source. The RISE instrument is ready and operational for future studies of short-lived isotopes at FRIB.

Atomic spectra↗

Primordial black holes and their mass spectra: The effects of mergers and accretion within stasis cosmologies

A variety of processes in the very early Universe can give rise to a population of primordial black holes (PBHs) with an extended mass spectrum. For certain mass spectra of this sort, it has been shown that the evaporation of these PBHs into radiation can drive the universe toward an epoch of cosmological stasis which can persist for a significant number of 𝑒-folds of cosmological expansion. However, in general, the initial mass spectrum which characterizes a population of PBHs at the time of production can subsequently be distorted by processes such as mergers and accretion. Here, in this paper, we examine the effects that these processes have on the spectra that lead to a PBH-induced stasis. Within such stasis models, we find that mergers have only a negligible effect on these spectra within the regime of interest for stasis. We likewise find that the effect of accretion is negligible in many cases of interest. However, we find that the effect of accretion on the PBH mass spectrum is non-negligible in situations in which this spectrum is particularly broad. In such situations, the stasis epoch is abridged or, in extreme cases, does not occur at all. Thus accretion plays a nontrivial role in constraining the emergence of stasis within scenarios which lead to extended PBH mass spectra.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

First full Dalitz plot measurement in neutron 𝛽 decay using the Nab spectrometer and implications for new physics

Precision measurements of observables in neutron 𝛽 decay are used to test the standard model description of the weak interaction and search for evidence of new physics. The Nab experiment at the Fundamental Neutron Physics Beamline at the Spallation Neutron Source was constructed to measure correlations in neutron decay by utilizing an asymmetric spectrometer and novel detection system to accurately reconstruct the proton momentum and electron energy for each 𝛽 decay. This work describes the detection of neutron 𝛽-decay products in the Nab spectrometer and presents the first full Dalitz plot representation of the phase space of neutron 𝛽 decay for all electrons >100 keV. In addition, new constraints are placed on a possible excited neutron state, hypothesized to explain the disagreement between the appearance and disappearance neutron lifetime techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The X17 with Chiral Couplings

In recent years, the ATOMKI collaboration has performed a series of measurements of excited nuclei, observing a resonant excess of electron-positron pairs at large opening angles compared to the Standard Model prediction. The excess has been hypothesized to be due to the production of a new spin-1 or spin-0 particle, X17, with a mass of about 17 MeV. Recently, the PADME experiment has reported an excess in the $e^+e^-$ cross section at center-of-mass energies near 17 MeV, perhaps further hinting at the existence of a new state. Studies of the spin-1 case have hitherto focused on either vector {\em or} axial-vector couplings to quarks and leptons, whereas UV theories more naturally produce {\em both} vector and axial-vector (\textit{i.e.} chiral) couplings, analogous to the Standard Model weak interactions. We consider the ATOMKI anomalies in the context of an $X$ with chiral couplings to quarks and explore the parameter space that can explain the ATOMKI anomalies, contrasting them with experimental constraints. We find that it is possible to accommodate the reported ATOMKI signals. However, the $99\%$ CL region is in tension with null results from searches for atomic parity violation and direct searches for new low mass physics coupled to electrons. This tension is found to be driven by the magnitude of the reported excess in the transition of $^{12}{\rm C}(17.23)$, which drives the best-fit region towards excluded couplings.

Fieg, Max H. [UC, Irvine; UC, Irvine (main); Fermi↗

Amplified spontaneous emission in the extreme ultraviolet by expanding xenon clusters

Focused short-wavelength free-electron laser (FEL) pulses interacting with gas phase samples can induce by inner-shell ionization a short-lived population inversion, followed by coherent collective emission of directed, short, and strong radiation bursts. We extend our studies into the warm-dense matter (WDM) regime by investigating the nanoplasmas produced in an ensemble of nanometer-sized clusters by FEL irradiation. Here, additional pathways can also lead to strong, laserlike emission: Electron-ion collisions can yield a long-lived population inversion, and subsequent amplified spontaneous emission. We observe amplified spontaneous emission (ASE) in the extreme ultraviolet in xenon clusters excited by soft x-ray FEL pulses, we diagnose the generated nanoplasmas by fluorescence spectroscopy, and we study under various cluster and FEL parameters the directed ASE from the Xe 2+ 65 nm line. We show its exponential increase as a function of FEL irradiation power, and an accompanying collisional broadening of the emission spectra. These findings are corroborated by extensive numerical simulations based on theory, combining detailed hydrodynamic and kinetic simulations with time-dependent calculations of radiation transport, amplification, and collective emission in the WDM nanoplasma. Furthermore, our theoretical findings underline that population inversion is due to electron-ion collisions and that the observed decoherence processes can be empirically characterized by a phenomenological decoherence time in the range of 100–200 fs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nuclear cusps and singularities in the nonadditive kinetic potential bifunctional from analytical inversion

The non-additive kinetic potential $v^{\text{NAD}}$ is a key quantity in density-functional theory (DFT) embedding methods, such as frozen density embedding theory and partition DFT. $v^{\text{NAD}}$ is a bi-functional of electron densities $\rho_{\rm B}$ and $\rho_{\rm tot} = \rho_{\rm A} + \rho_{\rm B}$. It can be evaluated using approximate kinetic-energy functionals, but accurate approximations are challenging. The behavior of $v^{\text{NAD}}$ in the vicinity of the nuclei has long been questioned, and singularities were seen in some approximate calculations. In this article, the existence of singularities in $v^{\text{NAD}}$ is analyzed analytically for various choices of $\rho_{\rm B}$ and $\rho_{\rm tot}$, using the nuclear cusp conditions for the density and Kohn-Sham potential. It is shown that no singularities arise from smoothly partitioned ground-state Kohn-Sham densities. We confirm this result by numerical calculations on diatomic test systems HeHe, HeLi$^+$, and H$_2$, using analytical inversion to obtain a numerically exact $v^{\rm NAD}$ for the local density approximation. We examine features of $v^{\rm NAD}$ which can be used for development and testing of approximations to $v^{\rm NAD}[\rho_{\rm B},\rho_{\rm tot}]$ and kinetic-energy functionals.

74 ATOMIC AND MOLECULAR PHYSICS↗

Quantum Computer-Aided Design: Digital Quantum Simulation of Quantum Processors

With the increasing size of quantum processors, submodules that constitute the processor hardware will become too large to accurately simulate on a classical computer. Therefore, one would soon have to fabricate and test each new design primitive and parameter choice in time-consuming coordination between design, fabrication, and experimental validation. Here we show how one can design and test the performance of next-generation quantum hardware—by using existing quantum computers. Focusing on superconducting transmon processors as a prominent hardware platform, we compute the static and dynamic properties of individual and coupled transmons. We show how the energy spectra of transmons can be obtained by variational hybrid quantum-classical algorithms that are well suited for near-term noisy quantum computers. In addition, single- and two-qubit gate simulations are demonstrated via Suzuki-Trotter decomposition. Our methods pave a promising way towards designing candidate quantum processors when the demands of calculating submodule properties exceed the capabilities of classical computing resources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nature of the magnetic stripes in fully oxygenated La 2 CuO 4+y

We present triple-axis neutron scattering studies of static and dynamic magnetic stripes in an optimally oxygen-doped cuprate superconductor, La 2 CuO 4+y , which exhibits a clean superconducting transition at T c = 42 K. Polarization analysis reveals that the magnetic stripe structure is equally represented along both of the tetragonal crystal axes and that the fluctuating stripes display significant weight for in-plane as well as out-of-plane spin components. Both static magnetic order as well as low-energy fluctuations are fully developed in zero applied magnetic field and the low-energy spin fluctuations at ℏω = 0.3 – 10 meV intensify on cooling. We interpret this as an indication that superconductivity and low-energy spin fluctuations coexist microscopically in spatial regions which are separated from domains with static magnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum spin ice response to a magnetic field in the dipole-octupole pyrochlore Ce 2 Zr 2 O 7

The pyrochlore magnet Ce 2 Zr 2 O 7 has attracted much attention as a quantum spin ice candidate whose novelty derives in part from the dipolar-octupolar nature of the Ce 3+ pseudospin-1/2 degrees of freedom it possesses. We report heat capacity measurements on single crystal samples of Ce 2 Zr 2 O 7 down to T~0.1K in a magnetic field along the [$1,\bar{1},0$] direction. These measurements show that the broad hump in the zero-field heat capacity moves higher in temperature with increasing field strength and is split into two separate humps by the [$1,\bar{1},0$] magnetic field at ~2T. These separate features are due to the decomposition of the pyrochlore lattice into effectively decoupled chains for fields in this direction: One set of chains (α chains) is polarized by the field while the other (β chains) remains free. This situation is similar to that observed in the classical spin ices Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 , but with the twist that here the strong transverse exchange interactions produce substantial quantum effects. Our theoretical modeling suggests that the β chains are close to a critical state, with nearly-gapless excitations. We also report elastic and inelastic neutron scattering measurements on single crystal Ce 2 Zr 2 O 7 in [$1,\bar{1},0$] and [0,0,1] magnetic fields at temperatures down to T=0.03K. The elastic scattering behaves consistently with the formation of independent chains for a [$1,\bar{1},0$] field, while the [0,0,1] field produces a single field-induced elastic magnetic Bragg peak at (0,2,0) and equivalent wavevectors, indicating a polarized spin ice state for fields above ~3T. For both [$1,\bar{1},0$] and [0,0,1] magnetic fields, our inelastic neutron scattering results show an approximately dispersionless continuum of scattering that increases in both energy and intensity with increasing field strength. By modeling the complete set of experimental data using numerical linked cluster and semiclassical molecular dynamics calculations, we demonstrate the dominantly multipolar nature of the exchange interactions in Ce 2 Zr 2 O 7 and the smallness of the parameter θ, which controls the mixing between dipolar and octupolar degrees of freedom. Finally, these results support previous estimates of the microscopic exchange parameters and place strong constraints on the theoretical description of this prominent spin ice candidate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Revealing the strength of three-nucleon interactions with the proposed Einstein Telescope

Nuclear systems, ranging from atomic nuclei to dense matter probed in neutron stars, are governed by strong interactions. Three-nucleon forces have been found to be a crucial ingredient for the reliable description of these systems. Here, in this work, we explore how astrophysical data on neutron stars and their mergers from current and next-generation observatories will enable us to distinguish nuclear Hamiltonians. In particular, we investigate two different nuclear Hamiltonians that have been adjusted to reproduce two-nucleon scattering data and properties of light nuclei, but differ in the three-nucleon interactions among neutrons. We find that no significant constraints can be obtained from current data, but that the proposed Einstein Telescope could provide strong evidence to distinguish among these Hamiltonians.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Probing quarkyonic matter in neutron stars with the Bayesian nuclear-physics multimessenger astrophysics framework

The interiors of neutron stars contain matter at the highest densities realized in our Universe. Interestingly, theoretical studies of dense matter, in combination with the existence of two-solar-mass neutron stars, indicate that the speed of sound $c_s$ has to increase to values well above the conformal limit ($c_s^2$ = 1/3) before decreasing again at higher densities. Further, the decrease could be explained by either a strong first-order phase transition or a crossover transition from hadronic to quark matter. The latter scenario leads to a pronounced peak in the speed of sound, reaching values above the conformal limit, naturally explaining the inferred behavior. In this work, we use the nuclear-physics multimessenger astrophysics (NMMA) framework to compare predictions of the quarkyonic matter model with astrophysical observations of neutron stars, with the goal of constraining model parameters. Assuming quarkyonic matter to be realized within neutron stars, we find that there can be a significant amount of quarks inside the cores of neutron stars with masses in the two-solar-mass range, amounting to up to ≈0.13$M$ ⊙ , contributing ≈ 5.9% of the total mass. Furthermore, for the quarkyonic matter model investigated here, the radius of a 1.4$M$ ⊙ neutron star would be $13.44_{–1.54}^{+1.69}(13. 54_{–1.04}^{+1.02})$ km, at 95% credibility, without (with) the inclusion of AT2017gfo.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Antideuterons and antihelium nuclei from annihilating dark matter

Recent studies of the cosmic-ray antiproton-to-proton ratio have identified an excess of ~10–20 GeV antiprotons relative to the predictions of standard astrophysical models. Intriguingly, the properties of this excess are consistent with the same range of dark matter models that can account for the long-standing excess of γ-rays observed from the Galactic Center. Such dark matter candidates can also produce significant fluxes of antideuterium and antihelium nuclei. In this work we study the production and transport of such particles, both from astrophysical processes as well as from dark matter annihilation. Importantly, in the case of AMS-02, we find that Alfvénic reacceleration (i.e., diffusion in momentum space) can boost the expected number of $\bar {\text d}$ and $^ {\text 3} \overline {\text {He}}$ events from annihilating dark matter by an order of magnitude or more. For relatively large values of the Alfvén speed, and for dark matter candidates that are capable of producing the antiproton and γ-ray excesses, we expect annihilations to produce a few antideuteron events and about one antihelium event in 6 yr of AMS-02 data. This is particularly interesting in light of recent reports from the AMS-02 Collaboration describing the detection of a number of antihelium candidate events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Celestial-body focused dark matter annihilation throughout the Galaxy

Indirect detection experiments typically measure the flux of annihilating dark matter (DM) particles propagating freely through galactic halos. We consider a new scenario where celestial bodies “focus” DM annihilation events, increasing the efficiency of halo annihilation. In this setup, DM is first captured by celestial bodies, such as neutron stars or brown dwarfs, and then annihilates within them. If DM annihilates to sufficiently long-lived particles, they can escape and subsequently decay into detectable radiation. This produces a distinctive annihilation morphology, which scales as the product of the DM and celestial body densities, rather than as DM density squared. We show that this signal can dominate over the halo annihilation rate in γ -ray observations in both the Milky Way Galactic center and globular clusters. We use Fermi and H.E.S.S. data to constrain the DM-nucleon scattering cross section, setting powerful new limits down to ~10 -39 cm 2 for sub-GeV DM using brown dwarfs, which is up to 9 orders of magnitude stronger than existing limits. We demonstrate that neutron stars can set limits for TeV-scale DM down to about 10 -47 cm 2 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗