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At least 235 records · Page 13

Electromagnetic observables of open-shell nuclei from coupled-cluster theory

Here we develop a new method to describe electromagnetic observables of open-shell nuclei with two nucleons outside a closed shell. This approach combines the equation-of-motion coupled-cluster method for such systems and the Lorentz integral transform technique, expanding the applicability of coupled-cluster theory for electromagnetic observables beyond closed-(sub)shell nuclei. To validate this new approach, we compute the non-energy-weighted dipole sum rule and the dipole polarizability of 16,24 ⁢O in both the closed-(sub)shell and the new equation-of-motion coupled-cluster frameworks, finding agreement within error bars. We then analyze the evolution of the dipole polarizability along the oxygen and calcium isotopic chains. Our predictions agree well with available experimental data and other available theoretical calculations for the closed-(sub)shell 16,22 ⁢O and the open-shell 18 O. In the calcium isotopes, we observe that our dipole polarizability predictions for open-shell nuclei are lower than those of closed-(sub)shell nuclei. We expect that our predictions for 24 O and 54,56 ⁢Ca will motivate future experimental studies at the drip line.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Charmonium χ c 0 and χ c 2 resonances in coupled-channel scattering from lattice QCD

In order to explore the spectrum of hidden-charm scalar and tensor resonances, we study meson-meson scattering with J P C = 0 + + , 2 + + in the charmonium energy region using lattice QCD. Employing a light-quark mass corresponding to m π ≈ 391 MeV , we determine coupled-channel scattering amplitudes up to around 4100 MeV considering all kinematically relevant channels consisting of a pair of open-charm mesons or a charmonium meson with a light meson. A single isolated scalar resonance near 4000 MeV is found with large couplings to D D ¯ , D s D ¯ s and the kinematically closed D * D ¯ * channel. A single tensor resonance at a similar mass couples strongly to D D ¯ , D D ¯ * and D * D ¯ * . We compare the extracted resonances to contemporary experimental candidate states, previous lattice results and theoretical modeling. In contrast to several other studies, we do not find any significant feature in the scalar amplitudes between the ground state χ c 0 ( 1 P ) and the resonance found around 4000 MeV. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Near-threshold states in coupled D D * − D * D * scattering from lattice QCD

The first determination of doubly charmed isospin-0 coupled-channel D D * − D * D * scattering amplitudes from lattice quantum chromodynamics (QCD) is presented. The finite-volume spectrum is computed for three lattice volumes with a light-quark mass corresponding to m π ≈ 391 MeV and is used to extract the scattering amplitudes in J P = 1 + via the Lüscher quantization condition. By analytically continuing the scattering amplitudes to complex energies, a T c c pole corresponding to a virtual bound state is found below D D * threshold. We also find a second pole, T c c ′ , corresponding to a resonance pole below the kinematically closed D * D * channel, to which it has a strong coupling. A nonzero coupling is robustly found between the S -wave D D * and D * D * channels producing a clear cusp in the D D * amplitude at the D * D * threshold energy. This suggests that the experimental T c c ′ should be observable in D D * and D * D * final states at ongoing experiments. Published by the American Physical Society 2025

Whyte, Travis (ORCID:000000027661301X)↗

Scalar and Tensor Charmonium Resonances in Coupled-Channel Scattering from Lattice QCD

We determine J P C = 0 + + and 2 + + hadron-hadron scattering amplitudes in the charmonium energy region up to 4100 MeV using lattice QCD, a first-principles approach to QCD. Working at m π ≈ 391 MeV , more than 200 finite-volume energy levels are computed and these are used in extensions of the Lüscher formalism to determine infinite-volume coupled-channel scattering amplitudes. We find that this energy region contains a single χ c 0 and a single χ c 2 resonance. Both are found as pole singularities on the closest unphysical Riemann sheet, just below 4000 MeV with widths around 70 MeV. The largest couplings are to kinematically closed D * D ¯ * channels in S -wave, and couplings to several decay channels consisting of pairs of open-charm mesons are found to be large and significant in both cases. Above the ground state χ c 0 , no other scalar bound states or near- D D ¯ threshold resonances are found, in contrast to several theoretical and experimental studies. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

QCD Running Coupling in the Nonperturbative and Near-Perturbative Regimes

We use analytic continuation to extend the gauge-gravity duality nonperturbative description of the strong force coupling into the transition, near-perturbative, regime where perturbative effects become important. By excluding the unphysical region in coupling space from the flow of singularities in the complex plane, we derive a specific relation between the scales relevant at large and short distances; this relation is uniquely fixed by requiring maximal analyticity. The unified effective coupling model gives an accurate description of the data in the nonperturbative and the near-perturbative regions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Physics of Edge-Core Coupling by Inward Turbulence Propagation

The dynamics of edge-core coupling is critically important to the optimization of magnetically confined fusion plasmas. Since early proposals, there has been persistent speculation that inward propagation of turbulence from the boundary is a possible means to energize the edge-core coupling region. However, the detailed mechanism of this process has remained a mystery until recent experiments observed that regular, intense gradient relaxation events generated blob-void pairs very close to the last closed flux surface. Blobs ($\tilde{n}$ >0) propagate outward and detach from the bulk plasma, while voids ($\tilde{n}$ <0) propagate inward, and so stir the core plasma. Here, in this work, we demonstrate that this heretofore ignored process of void emission can drive a broad turbulent layer of width ∼100 𝜌 𝑠 , for typical parameters. The mechanism is the Cherenkov emission of drift waves from inward-propagating voids. The model shows promise to resolve several questions surrounding the shortfall problem and the strong turbulence in the edge-core coupling region.

drift waves↗

Floquet-engineered fast SNAP gates in weakly coupled circuit-QED systems

Superconducting cavities with high quality factors, coupled to a fixed-frequency transmon, provide a state-of-the-art platform for quantum information storage and manipulation. The commonly used selective number-dependent arbitrary phase ( SNAP ) gate faces significant challenges in ultrahigh-coherence cavities, where the weak dispersive shifts necessary for preserving high coherence typically result in prolonged gate times. Here, in this work, we propose a protocol to achieve high-fidelity SNAP gates that are orders of magnitude faster than the standard implementation, surpassing the speed limit set by the bare dispersive shift. We achieve this enhancement by dynamically amplifying the dispersive coupling via sideband interactions, followed by quantum optimal control on the Floquet-engineered system. We also present a unified perturbation theory that explains both the gate acceleration and the associated benign drive-induced decoherence, corroborated by Floquet-Markov simulations. These results pave the way for the experimental realization of high-fidelity, selective control of weakly coupled, high-coherence cavities, and expanding the scope of optimal control techniques to a broader class of Floquet quantum systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Asymptotic gauge symmetry and UV extension of the nonperturbative coupling in holographic QCD

We extend our recent analytic study of the strong coupling 𝛼 eff in the nonperturbative and near-perturbative regimes [Phys. Rev. Lett. 133, 181901 (2024)] by imposing rigorous renormalization-group constraints from asymptotically free gauge theories at 𝑄 2 → ∞. The asymptotic boundary conditions modify the scaling properties of 𝛼eff at large values of the momentum transfer 𝑄 2 and lead to a scale-dependent confinement strength 𝜅⁡(𝑄 2 ). This requires that both 𝜅⁡(𝑄 2 ) and 𝛼 eff⁡ (𝑄 2 , 𝜅⁡(𝑄 2 )) remain holomorphic in the complex 𝑄 2 plane, except at the physical cuts associated with the heavy-quark thresholds and the singularity flow trajectory studied in our previous Letter. For color SU(3), a precise connection is found between the scaling exponent of 𝜅⁡(𝑄 2 ) in the ultraviolet, the value of the infrared fixed point of the strong coupling, and the number of flavors in agreement with observations. The nonperturbative analytic model gives an accurate description of the strong coupling across all scales, up to the highest available data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Transition from weak to strong coupling in thermal gauge theories: Lessons from 𝒩 = 4 SYM theory

We investigate the transition between weak and strong coupling in thermal 𝒩 =4 supersymmetric Yang-Mills theory as a function of ’t Hooft coupling 𝜆 for several quantities of phenomenological interest for which next-to-leading order calculations are available in both regimes. We use Padé approximants to interpolate between the weak and strong coupling expansions and determine the location and width of the transition between the asymptotic regimes.

Gauge Theories↗

Evidence of nonlinear coupling in the edge harmonic oscillation sustaining quiescent high confinement in a tokamak plasma

In a tokamak plasma, we measure nonlinear coupling between harmonics comprising a saturated edge oscillation, as predicted by nonlinear magnetohydrodynamic simulations. The coherent structure formed by this coupling suppresses bursty edge-localized modes that cause energy and particle loss. We also measure nonlinear coupling of the edge harmonic oscillation to core-resonant magnetic tearing modes. When tearing modes are present, the edge oscillation harmonics decouple, and edge-localized modes return. In this article, we conclude that nonlinear interaction with tearing modes interrupts the formation of the edge harmonic oscillation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Constraints on anomalous Higgs boson couplings from its production and decay using the WW channel in proton–proton collisions at $\sqrt{s} = 13~\text {TeV}$

A study of the anomalous couplings of the Higgs boson to vector bosons, including ${\textit{CP}}$-violation effects, has been conducted using its production and decay in the WW channel. This analysis is performed on proton–proton collision data collected with the CMS detector at the CERN LHC during 2016–2018 at a center-of-mass energy of 13 TeV, and corresponds to an integrated luminosity of 138$\,\text {fb}^{-1}$. The different-flavor dilepton $({\textrm{e}} {{\upmu }})$ final state is analyzed, with dedicated categories targeting gluon fusion, electroweak vector boson fusion, and associated production with a W or Z boson. Kinematic information from associated jets is combined using matrix element techniques to increase the sensitivity to anomalous effects at the production vertex. A simultaneous measurement of four Higgs boson couplings to electroweak vector bosons is performed in the framework of a standard model effective field theory. All measurements are consistent with the expectations for the standard model Higgs boson and constraints are set on the fractional contribution of the anomalous couplings to the Higgs boson production cross section.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

xGFabric: Coupling Sensor Networks and HPC Facilities with Private 5G Wireless Networks for Real-Time Digital Agriculture

Advanced scientific applications require coupling distributed sensor networks with centralized high-performance computing facilities. Citrus Under Protective Screening (CUPS) exemplifies this need in digital agriculture, where citrus research facilities are instrumented with numerous sensors monitoring environmental conditions and detecting protective screening damage. CUPS demands access to computational fluid dynamics codes for modeling environmental conditions and guiding real-time interventions like water application or robotic repairs. These computing domains have contrasting properties: sensor networks provide low-performance, limited-capacity, unreliable data access, while high-performance facilities offer enormous computing power through high-latency batch processing. Private 5G networks present novel capabilities addressing this challenge by providing low latency, high throughput, and reliability necessary for near-real-time coupling of edge sensor networks with HPC simulations. This work presents xGFabric, an end-to-end system coupling sensor networks with HPC facilities through Private 5G networks. The prototype connects remote sensors via 5G network slicing to HPC systems, enabling real-time digital agriculture simulation.

Digital Agriculture↗

Coupling of high-resolution mass spectrometer and photosynthesis system for comprehensive leaf volatile metabolite profiling

Background Leaf-level biogenic volatile organic compounds (BVOCs) emissions represent a major source of organic gases in the atmosphere, influencing both climate and air quality. These emissions are strongly driven by environmental perturbations, which affect individual plant- to ecosystem-level processes. Uncovering all the BVOCs and understanding how their emissions respond to altered environmental conditions provide critical insights into vegetation-driven changes in atmospheric chemistry. We developed a tandem instrumentation setup that integrates a proton transfer reaction time-of-flight mass spectrometer (PTR-ToF-MS) with parts-per-trillion detection limits and a photosynthetic infrared gas exchange system for the untargeted survey of all the BVOCs. This novel system enables simultaneous, real-time monitoring of BVOC emissions and photosynthetic parameters at the leaf level, offering new opportunities to disentangle the physiological and environmental drivers of VOC release. Furthermore, we established the VOC Analysis and Processing Optimization Resource (VAPOR), an open-access software tool designed for rapid data post-processing and the analysis of the variability of hundreds of BVOCs. We assessed the performance of the tandem system under varying background conditions, using standard gas mixtures and a range of environmental factors. Results Blank emissions were substantially lower for major BVOCs (e.g., isoprene) compared to those observed in plant emissions. Despite this, the observation of background-level VOCs highlights the importance of routinely acquiring and accounting for blank measurements in analyses using the coupled instrumentation. Introduction of known VOC concentrations to the system demonstrated a linear response across different compounds with varying molecular compositions, indicating minimal gas loss regardless of chemical moieties within the coupled instrumentation. We applied the optimized system to investigate the physiological mechanisms driving BVOC emissions across different genotypes of poplar and pennycress. The high mass resolution capabilities of the PTR-ToF-MS, coupled with comprehensive VAPOR-driven data analysis, enabled the identification of several important BVOCs, including methanol and methanethiol; these BVOCs displayed substantial variation across pennycress genotypes and showed concentrations ~ 100–350% higher than the blank. Moreover, isoprene emissions varied significantly among poplar genotypes grown in different potting media. Conclusions Tandem instrumentation offers a powerful tool for profiling volatile molecular markers and elucidating their genetic and environmental underpinnings. This approach enhances our ability to predict BVOC emissions in response to genotype by environmental interactions and contributes to a deeper understanding of vegetation responses to environmental changes.

Biogenic volatile organic compounds↗

Application of physics-informed neural networks (PINNs) solution to coupled thermal and hydraulic processes in silty sands

Abstract The accurate modeling of water and heat transport in soils is crucial for both geo-environmental and geothermal engineering. Traditional modeling methods are problematic because they require well-defined boundaries and initial conditions. Recently, physics-informed neural networks (PINNs), which incorporate partial differential equations (PDEs) to solve forward and inverse problems, have attracted increasing attention in machine learning research. In this study, we applied PINNs to tackle hydraulic and thermal transport coupling forward problems in silty sands. A fully connected deep neural network was utilized for training. This neural network model leverages automatic differentiation to apply the governing equations as constraints, based on the mathematical approximations established by the neural network itself. We conducted forward problems and compared the solutions derived from PINNs with those from Finite Element Method (FEM) simulations. The forward problem results demonstrate the PINNs model’s capability in predicting hydraulic transport, heat transport, and thermal–hydraulic coupling in silty sands under various boundary conditions. The PINNs exhibited great performance in simulating the thermal–hydraulic coupling problem. The accuracy of the PINNs solutions shows its potential for simulation in geotechnical engineering.

Feng, Yuan↗

Data for "Examining Organic Acid Production Potential and Growth-Coupled Strategies in Issatchenkia orientalis Using Constraint-Based Modeling"

Growth-coupling product formation can facilitate strain stability by aligning industrial objectives with biological fitness. Organic acids make up many building block chemicals that can be produced from sugars obtainable from renewable biomass. Issatchenkia orientalis is a yeast strain tolerant to acidic conditions and is thus a promising host for industrial production of organic acids. Here, we use constraint-based methods to assess the potential of computationally designing growth-coupled production strains for I. orientalis that produce 22 different organic acids under aerobic or microaerobic conditions. We explore native and engineered pathways using glucose or xylose as the carbon substrates as proxy constituents of hydrolyzed biomass. We identified growth-coupled production strategies for 37 of the substrate-product pairs, with 15 pairs achieving production for any growth rate. We systematically assess the strain design solutions and categorize the underlying principles involved.

Bioproducts↗

Air-coupled tsunamis generated from impacts and airbursts: Our understanding before Hunga-Tonga Hunga-Ha'apai

The effort to prevent or mitigate the effects of an impact on Earth is known as planetary defense. A significant component of planetary defense research involves risk assessment. Much of our understanding of the risk from near-Earth objects comes from the geologic record in the form of impact craters, but not all asteroid impacts are crater-forming events. Small asteroids explode before reaching the surface, generating an airburst, and most impacts into the ocean do not penetrate the water to form a crater in the sea floor. The risk from these non-crater-forming ocean impacts and airbursts is difficult to quantify and represents a significant uncertainty in our assessment of the overall threat. We are currently working to better understand impact scenarios that can generate dangerous tsunamis. One of the suggested mechanisms for the production of asteroid–generated tsunamis is by direct coupling of the pressure wave to the water, analogous to the means by which a moving weather front can generate a meteotsunami. To test this hypothesis, we ran a series of airburst simulations and provided time-resolved pressure and wind profiles to use as source functions for tsunami models. We used the CTH hydrocode to model the various airburst scenarios to compare to the results of other simulations and provide time dependent boundary conditions as input to shallow-water wave propagation codes. The strongest and most destructive meteotsunamis are generated by atmospheric pressure oscillations with amplitudes of only a few hPa1 (mbar), corresponding to changes in sea level of a few cm. The resulting wave is strongest when there is a resonance between the ocean and the atmospheric forcing. A Proudman resonance takes place when the atmospheric disturbance’s translational speed (U) equals the longwave phase speed $\sqrt{gh}$ of shallow water wave. Coupling is strongest when the Froude number (Fr=U/c) is unity. A weather front propagates much slower than the speed of sound, so meteotsunamis are most common and dangerous in shallow bodies of water such as the Mediterranean Sea or Lake Michigan. By contrast, the blast wave from an airburst or crater-forming impact propagates at a speed faster than a tsunami in the deepest ocean, and a Proudman resonance cannot be achieved even though the overpressures are orders of magnitude greater. However, blast wave profiles are N-waves in which a sharp shock wave leading to overpressure is followed by a more gradual rarefaction to a much longer-duration underpressure phase. Even though the blast outruns the water wave it is forcing, the tsunami should continue to be driven by the out-of-resonance gradient associated with the suction phase, which may depend strongly on the details of the airburst or impact scenario. The open question is whether there are any conditions under which such an airburst-driven tsunami can be dangerous enough to contribute to the overall impact risk. We have also identified other potential mechanisms for airburst-generated tsunamis: 1) reaction force at the surface from the plume ejected into space, which carries significant momentum, 2) expanding toroidal vortices at the surface, which travel more slowly than the shock wave and can generate a Proudman resonance in relatively shallow ocean (such as continental shelf), and 3) steam explosion from seawater ablation by a “Type II” (Libyan Desert Glass-type) airburst in which the hot vapor jet descends to the surface. On January 15, 2022, the Hunga-Tonga Hunga-Ha’apai volcano, located approximately 60 km north of Tongatapu, the main island of Tonga, violently erupted with a powerful explosion, culminating the period of volcanic activity that started in December of 2021. This event and resulting tsunamis provided an existence proof for the air pressure wave coupling mechanism we proposed. It also suggests that it can be stronger and more significant over much greater distances than we contemplated, leading to global tsunamis associated with impact events on land as well as in the water. Large atmospheric explosions generate global Lamb waves with larger amplitudes, longer periods, and slower speeds than the local and regional blast waves we modeled prior to that event. This paper reviews our analysis and modeling of airburst-driven tsunamis prior to the 2022 Hunga-Tonga Hunga-Ha’apai tsunami, which was the subject of two presentations at the 2023 Planetary Defense Conference and is the subject of another paper currently in preparation.

54 ENVIRONMENTAL SCIENCES↗

SIERRA Code Coupling Module: Arpeggio User Manual (V. 5.22)

The SNL Sierra Mechanics code suite is designed to enable simulation of complex multiphysics scenarios. The code suite is composed of several specialized applications which can operate either in standalone mode or coupled with each other. Arpeggio is a supported utility that enables loose coupling of the various Sierra Mechanics applications by providing access to Framework services that facilitate the coupling.

97 MATHEMATICS AND COMPUTING↗

Screening aqueous organic redox couples for spontaneous hydrogen generation on catalysts

Two low-cost redox couples with near neutral or alkaline pH - 7,8-dihydroxyphenazine-2-sulfonic acid (DHPS) and chrome chelated ethylenediaminetetraacetic acid (Cr-EDTA) with ammonia – are identified to generate hydrogen evolution spontaneously on Pt/C catalysts. Cr-EDTA redox couple has two times higher hydrogen evolution rate than that of DHPS, and the charged Cr-EDTA molecules are fully utilized to generate hydrogen gas, while ~ 50% of DHPS molecules are utilized to produce hydrogen spontaneously on Pt/C catalysts. The Cr-EDTA electrolyte enables cost reduction by allowing cheap raw material of Cr and corrosion resistant alloy instead of costly superalloy for catalytic reactor systems. Furthermore, the Cr-EDTA with ammonia as a negolyte for flow batteries was validated to suppress hydrogen evolution side reaction, reach 99% of coulombic efficiency in flow cell operation paired with Fe(CN)6 redox couple near neutral pH.

08 HYDROGEN↗