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At least 1,495 records · Page 83

Thermal nature of confining strings

We investigate the quantum statistical properties of the confining string connecting a static fermion-antifermion pair in the massive Schwinger model. By analyzing the reduced density matrix of the subsystem located in between the fermion and antifermion, we demonstrate that as the interfermion separation approaches the string-breaking distance, the overlap between the microscopic density matrix and an effective thermal density matrix exhibits a pronounced, narrow peak, approaching unity at the onset of string breaking. This behavior reveals that the confining flux tube evolves toward a genuinely thermal state as the separation between the charges grows, even in the absence of an external heat bath. In other words, one cannot tell whether a reduced state of the subsystem arises from a surrounding heat bath or from entanglement with the rest of the system. The entanglement spectrum near the critical string-breaking distance exhibits a rapid transition from the dominance of a single state describing the confining electric string towards a strongly entangled state containing virtual fermion-antifermion pairs. Our findings establish a quantitative link between confinement, entanglement, and emergent thermality, and suggest that string breaking corresponds to a microscopic thermalization transition within the flux tube.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Measurement of Two-Point Energy Correlators within Jets in 𝑝 + 𝑝 Collisions at $\sqrt{𝑠}$ = 200 GeV

Hard-scattered partons ejected from high-energy proton-proton collisions undergo parton shower and hadronization, resulting in collimated collections of particles that are clustered into jets. A substructure observable that highlights the transition between the perturbative and nonperturbative regimes of jet evolution in terms of the angle between two particles is the two-point energy correlator (EEC). In this Letter, the first measurement of the EEC at RHIC is presented, using data taken from 200 GeV 𝑝 + 𝑝 collisions by the STAR experiment. The EEC is measured both for all the pairs of particles in jets and separately for pairs with like and opposite electric charges. These measurements demonstrate that the transition between perturbative and nonperturbative effects occurs within an angular region that is consistent with expectations of a universal hadronization regime that scales with jet momentum for a given initiator flavor. Additionally, a deviation from Monte Carlo predictions at small angles in the charge-selected sample could result from mechanics of hadronization not fully captured by current models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Long range energy-energy correlator at the LHC

We study the forward-backward azimuthal angular correlations of hadrons in association with multiparticle production in the central rapidity region in proton-proton collisions at the LHC. We apply the nucleon energy-energy correlator framework, where the spinning gluon distribution introduces a nontrivial cos⁡(2⁢𝜙) asymmetries. We will demonstrate that the fundamental helicity structure of quantym chromodynamics (QCD) amplitudes predicts a unique power counting rule: cos⁡(2⁢𝜙) asymmetry starts at 𝒪⁡(𝛼$^{2}_{s}$) order for dijet, 𝒪⁡(𝛼 𝑠 ) for three jet and 𝒪⁡(1) for four (and more) jet productions. Our results will help us to understand the longstanding puzzle of nearside ridge behavior observed in high multiplicity events of 𝑝⁢𝑝 collisions at the LHC.

Quantum chromodynamics↗

Lanczos algorithm for lattice QCD matrix elements

Recent work [M. L. Wagman, Lanczos, the transfer matrix, and the signal-to-noise problem, .] found that an analysis formalism based on the Lanczos algorithm allows energy levels to be extracted from Euclidean correlation functions with faster ground-state convergence than effective masses, convergent estimators for multiple states from a single correlator, and two-sided error bounds. After filtering out spurious eigenvalues and using outlier-robust estimators within a nested bootstrap framework, Lanczos estimators behave more like multistate fit results than effective masses—but without involving statistical fitting. We extend this formalism to the determination of matrix elements from three-point correlation functions and provide a physical picture of “spurious-state filtering” involving restriction to a Hermitian subspace. We demonstrate similar advantages for matrix elements as for spectroscopy through example applications to noiseless mock-data and (bare) forward matrix elements of the strange scalar current between both ground and excited states with the quantum numbers of the nucleon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Background optimization of powder electron diffraction for implementation of the e-PDF technique and study of the local structure of iron oxide nanocrystals

The local structural characterization of iron oxide nanoparticles is explored using a total scattering analysis method known as pair distribution function (PDF) (also known as reduced density function) analysis. The PDF profiles are derived from background-corrected powder electron diffraction patterns (the e-PDF technique). Due to the strong Coulombic interaction between the electron beam and the sample, electron diffraction generally leads to multiple scattering, causing redistribution of intensities towards higher scattering angles and an increased background in the diffraction profile. In addition to this, the electron–specimen interaction gives rise to an undesirable inelastic scattering signal that contributes primarily to the background. The present work demonstrates the efficacy of a pre-treatment of the underlying complex background function, which is a combination of both incoherent multiple and inelastic scatterings that cannot be identical for different electron beam energies. Therefore, two different background subtraction approaches are proposed for the electron diffraction patterns acquired at 80 kV and 300 kV beam energies. From the least-square refinement (small-box modelling), both approaches are found to be very promising, leading to a successful implementation of the e-PDF technique to study the local structure of the considered nanomaterial.

36 MATERIALS SCIENCE↗

Impact of thermodynamic fluctuations and pattern size on the nucleation behavior during area selective deposition

In this work, the authors explore the impact that thermodynamic fluctuations have on the spontaneous appearance of defects during area selective deposition on patterned surfaces that are fully covered by adsorbates under local thermodynamic equilibrium, such as self-assembled monolayers. By using a simple lattice gas model for the adsorbed monolayer, the authors were able to track the spontaneous formation of defects in the monolayer as a function of the pattern width. The results indicate that, for pattern widths of the order of tens of nanometers, roughening effects at the pattern edge can be the leading source for the spontaneous appearance of nucleation defects. This leads to an enhancement of the density of defects that can be up to three orders of magnitude higher than those expected in uniform (not patterned) surfaces. The model also predicts a density of defects that is inversely proportional to the pattern width. Finally, if the dynamic nucleation of defects during area selective deposition is driven by thermodynamic fluctuations, the model predicts that the nucleation rate should be proportional to the total precursor fluency and independent of purge times. Moreover, a tight confinement of the monolayer through a high quality smooth interface in the patterned substrate and strong cohesive interactions between adsorbates should each contribute to a reduction of the overall defect density.

36 MATERIALS SCIENCE↗

Gapped magnetic ground state in quantum spin liquid candidate {kappa}-(BEDT-TTF){sub 2}Cu{sub 2}(CN){sub 3}.

Geometrical frustration, quantum entanglement, and disorder may prevent long-range ordering of localized spins with strong exchange interactions, resulting in an exotic state of matter. kappa-(BEDT-TTF)(2)Cu-2(CN)(3) is considered the prime candidate for this elusive quantum spin liquid state, but its ground-state properties remain puzzling. We present a multifrequency electron spin resonance (ESR) study down to millikelvin temperatures, revealing a rapid drop of the spin susceptibility at 6 kelvin. This opening of a spin gap, accompanied by structural modifications, is consistent with the formation of a valence bond solid ground state. We identify an impurity contribution to the ESR response that becomes dominant when the intrinsic spins form singlets. Probing the electrons directly manifests the pivotal role of defects for the low-energy properties of quantum spin systems without magnetic order.

Miksch, Bjorn↗

Crossover from hydrogen to chemical bonding

Hydrogen bonds (H-bonds) can be interpreted as a classical electrostatic interaction or as a covalent chemical bond if the interaction is strong enough. As a result, short strong H-bonds exist at an intersection between qualitatively different bonding descriptions, with few experimental methods to understand this dichotomy. The [F-H-F] − ion represents a bare short H-bond, whose distinctive vibrational potential in water is revealed with femtosecond two-dimensional infrared spectroscopy. It shows the superharmonic behavior of the proton motion, which is strongly coupled to the donor-acceptor stretching and disappears on H-bond bending. In combination with high-level quantum-chemical calculations, we demonstrate a distinct crossover in spectroscopic properties from conventional to short strong H-bonds, which identify where hydrogen bonding ends and chemical bonding begins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A scalable metal-organic framework as a durable physisorbent for carbon dioxide capture

A hydrophobic CO 2 physisorbent Most materials for carbon dioxide (CO 2 ) capture of fossil fuel combustion, such as amines, rely on strong chemisorption interactions that are highly selective but can incur a large energy penalty to release CO 2 . Lin et al . show that a zinc-based metal organic framework material can physisorb CO 2 and incurs a lower regeneration penalty. Its binding site at the center of the pores precludes the formation of hydrogen-bonding networks between water molecules. This durable material can preferentially adsorb CO2 at 40% relative humidity and maintains its performance under flue gas conditions of 150°C. —PDS

Science & Technology - Other Topics↗

Coherent $\mathrm{J}/\psi $ and ψ photoproduction at midrapidity in ultra-peripheral Pb–Pb collisions at $\sqrt{s_{\mathrm {NN}}}~=~5.02$ TeV

The coherent photoproduction of J/ψ and ψ' mesons was measured in ultra-peripheral Pb–Pb collisions at a center-of-mass energy $\sqrt{s_{\mathrm {NN}}}~=~5.02$ TeV with the ALICE detector. Charmonia are detected in the central rapidity region for events where the hadronic interactions are strongly suppressed. The J/ψ is reconstructed using the dilepton (l + l - ) and proton–antiproton decay channels, while for the ψ' the dilepton and the l + l - π + π - decay channels are studied. The analysis is based on an event sample corresponding to an integrated luminosity of about 233 μb -1 . The results are compared with theoretical models for coherent J/ψ and ψ' photoproduction. The coherent cross section is found to be in a good agreement with models incorporating moderate nuclear gluon shadowing of about 0.64 at a Bjorken-x of around 6×10 -4 , such as the EPS09 parametrization, however none of the models is able to fully describe the rapidity dependence of the coherent J/ψ cross section including ALICE measurements at forward rapidity. The ratio of ψ' to J/ψ coherent photoproduction cross sections was also measured and found to be consistent with the one for photoproduction off protons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Octave-spanning mid-infrared femtosecond OPA in a ZnGeP 2 pumped by a 2.4 μm Cr:ZnSe chirped-pulse amplifier

We report on the highly efficient, octave-spanning mid-infrared (mid-IR) optical parametric amplification (OPA) in a ZnGeP 2 (ZGP) crystal, pumped by a 1 kHz, 2.4 μm, 250 fs Cr:ZnSe chirped-pulse amplifier. The full spectral coverage of 3−10 μm with the amplified signal and idler beams is demonstrated. The signal beam in the range of ∼3 − 5 μm is produced by either white light generation (WLG) in YAG or optical parametric generation (OPG) in ZGP using the common 2.4 μm pump laser. We demonstrate the pump to signal and idler combined conversion efficiency of 23% and the pulse energy of up to 130 μJ with ∼2 μJ OPG seeding, while we obtain the efficiency of 10% and the pulse energy of 55 μJ with ∼0.2 μJ WLG seeding. The OPA output energy is limited by the available pump pulse energy (0.55 mJ at ZGP crystal) and therefore further energy scaling is feasible with multi-stage OPA and higher pump pulse energy. The autocorrelation measurements based on random quasi-phase matching show that the signal pulse durations are ∼318 fs and ∼330 fs with WLG and OPG seeding, respectively. In addition, we show the spectrally filtered 30 μJ OPA output at 4.15 μm suitable for seeding a Fe:ZnSe amplifier. Our ultrabroadband femtosecond mid-IR source is attractive for various applications, such as strong-field interactions, dielectric laser electron acceleration, molecular spectroscopy, and medical surgery.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Transient voltage-reversal in transformers with multiple secondary coils

By using a transformer with multiple secondary coils, a single unipolar power source can drive multiple loads that have different steady-state operating-voltage requirements. We show that, during initial turn-on, a transient voltage that is opposite in sign to the operating voltage can be induced in one or more of the secondary coils. This is because the surging currents in the coils during turn-on produce a strong inductive interaction between all the coils. In a particular secondary coil, the voltage induced by a neighboring secondary can be larger, and opposite in sign to, the voltage directly induced by the primary coil. The effect is transient because, when the secondary circuits reach their steady-state operating currents, they no longer couple inductively to each other. We also show that, during the turn-on period, the voltage induced in a secondary coil can be significantly larger than its steady-state voltage. These transient effects are controlled by the values of the "coil-coupling" parameters, which are functions of the transformer geometry and of the magnetic permeability and electrical resistivity of the materials used. The results are derived from the circuit equations, and verified using PSpice simulations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Understanding Proton Movement in [Fe-Fe] Hydrogenases

Nature uses specialized metalloenzymes to carry out small molecule activation reactions, including CO 2 fixation, O 2 activation, and proton reduction, with unparalleled efficiency, rates, and selectivity. The latter reactions are performed by hydrogenases, protein metallo-complexes that interconverts H 2 to protons and electrons (H 2 oxidation) and the reverse reaction (H 2 production) with incredibly low energy input and amazingly fast kinetics. Reproducing both the activity and efficiency of metalloenzymes in sustainable anthropogenic systems remains one of the “holy grails” of inorganic chemistry. However, identifying the precise molecular components responsible for these desirable properties has been challenging in the natural metalloenzymes, hindering efforts to develop analogous processes in synthetic compounds. Considering the inherent complexity of a metalloenzyme and the many interactions, both strong and weak, that contribute to the function of an enzyme, we have elected to model natural metalloenzymes on a biochemical platform. Towards this end, we have a developed structural, functional, and mechanistic mimic of the [Ni-Fe] hydrogenases within a robust protein scaffold, rubredoxin, to understand the influence of the secondary coordination environment on the metal center. This involved preparing a series of three rubredoxin constructs containing a single point mutation at Val positions and making the NMR chemical shift assignments for the paramagnetic (nickel-substituted) and non-paramagnetic (zinc-substituted) form. These physical studies were complemented with in silico molecular dynamic studies on proteins with [Fe-S] clusters to engineer new proton channels to test in vitro . To assist our search for new natural metalloprotein scaffolds within the vast number of sequenced genomes, we created a neural network-based program to identify proteins with specific metal-binding sites. These computational and physical studies with metalloenzymes provide direct insight into the fundamental chemical principles driving the natural systems and offer design principles for developing catalysts that utilize analogous principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cesium Removal from Surrogate Pyroprocessing Salt by Electrodeposition

Active metals in used nuclear fuel dissolve into the salt during pyroprocessing and are not removed by electrorefining or drawdown operations. The buildup of 137 Cs over time increases the heat load and ionizing radiation level of the salt such that it must be replaced frequently, resulting in a significant amount of salt waste. An effective means of managing cesium in the molten salt electrolyte would increase the efficiency of pyroprocessing and decrease the volume of salt waste requiring disposal. A previous report summarized issues that must be addressed when developing a removal strategy and assessed the suitability of existing methods and remaining technological gaps to their application (Rose and Thomas 2023). Cesium is extremely stable in molten salt as a chloride—even more stable than the LiCl-KCl eutectic base salt used for pyroprocessing fuel—which makes removing cesium a challenge. However, sufficiently strong atomic interactions occur between active metal species and liquid metals that make the electrodeposition of active metal fission products into liquid metal electrodes energetically favorable. The feasibility of recovering cesium from LiCl-KCl pyroprocessing salt through electrodeposition into liquid metals is eing assessed by identifying potentially effective liquid metals and performing tests to determine the effectiveness of electrodepositing cesium from a LiCl/KCl salt into these liquid metals. Previous studies investigating the electrodeposition of Sr 2+ , and Ba 2+ into zinc, cadmium, bismuth, lead, tin and antimony have shown that alkali and alkaline earth metals can be electrodeposited at liquid metal cathodes (Kim et al., 2018). The removal of Ba 2+ and Sr 2+ was measured to be more efficient than the removal of monovalent cations due to the greater thermochemical driving force for alloying those elements with the liquid metal (Jang et al. 2022). Because the equilibrium potentials are dependent on the interactions of the active metal in the liquid metal, it is likely that the other alkali metals Li + , and K + , will deposit from LiCl/KCl salt with the Cs + . Therefore, application of this method to recover active metals from pyroprocessing salt will benefit from the use of a liquid metal and set of operating conditions that sufficiently increase the reduction potential of cesium to remove cesium from the waste salt with an acceptable amount of co-deposited lithium and potassium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Time-dependent phenomena in correlated materials

Understanding time-dependent processes and light-matter interaction in strongly correlated materials, and the interplay between electronic, orbital, vibrational, and spin degrees of freedom, is a cornerstone of condensed matter. These mechanisms can be proven by measuring the response of the systems to time-dependent perturbations. The corresponding time scales are dictated by the way light couples to the different excitations, and how these excitations exchange energy and momentum. Our research advances our understanding of these processes, and the interpretation of different equilibrium and time-resolved spectroscopies. Our project encompasses two main themes: (i) developing and refining computational techniques to study non-equilibrium spectroscopies including non-perturbative effects and (ii) applications to non-equilibrium phenomena. We have developed a new computational approach that works directly in the time domain: by including all the degrees of freedom involved in the scattering process (e.g. electrons, photons, neutrons), we solve the time dependent problem: a faithful numerical simulation of the experiment. By measuring the energy and momentum of the outgoing particles, we can extract information about the energy and momentum absorbed by the system. Prior to our work, people attempting to model and calculate non-equilibrium spectral functions relied on a description of the scattering cross section based on a formulation in the frequency domain, a treatment that is extremely cumbersome and complex. Our technique works in and out of equilibrium and can reproduce spectra by several spectroscopic techniques, such as time-resolved photoemission, neutron scattering, Raman, X-ray spectroscopies (RIXS, Auger, XAS, XMCD), and, by not relying on analytical approximations, yields results that reveal novel overlooked transient mechanisms. These tools provide sorely needed intuition for understanding the phenomenology of strongly correlated materials and will help experimentalists in identifying signatures of relevant excitations in pump-probe experiments, such as those conducted in DOE supported facilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Robust resonator-assisted ZZ cancellation in superconducting quantum processors

Strong qubit interactions are essential for faster two-qubit gates, but they often come with undesirable ZZ interactions that limit gate fidelity. Existing methods to mitigate these interactions, such as flux-tunable couplers, can introduce additional noise and complexity. In contrast, our work presents a simpler, more robust approach using a driven resonator to cancel the static ZZ interaction between qubits [1]. The experiment was performed on a revised 9-qubit quantum processing unit from Rigetti, developed in collaboration with SQMS scientists. We validate the resonator-induced-phase (RIP) interaction, where an off-resonant drive on the resonator dynamically cancels ZZ coupling. This marks an important step toward high gate fidelities. We also explore the entangling gates enabled by this coupling scheme, focusing on minimizing gate duration and qubit decoherence while maintaining effective ZZ cancellation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Theory of fluctuating and critical quantum matter (Final technical report: DE-FG02-08ER46524)

The project developed the theory of electronic phenomena in quantum materials in which large fluctuations are present, driven by frustration, strong electronic interactions, topology, or other effects. Theoretical tools and results for specific materials were developed in parallel, allowing the results to be vetted and refined, and providing a resource for experimentalists. The results were reported in 53 publications over the period of the award. The sections below detail the most impactful scientific and technical results.

36 MATERIALS SCIENCE↗

Realization of a Quantum Slide Rule for 1+1 Dimensional Quantum Field Theories Using Josephson Superconducting Circuits

We have built a special type of electronic circuit—a “superconducting quantum simulator”—that allows us to mimic the behavior of complex quantum systems that are impossible to compute with ordinary computers. Our device is a long transmission line made of thousands of tiny superconducting junctions, acting as a one-dimensional “vacuum” for microwave photons. By terminating this line with a tunable, weak Josephson junction, we can control how strongly photons interact with each other.

74 ATOMIC AND MOLECULAR PHYSICS↗