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DOE OSTI2024

Search for the Migdal effect in liquid xenon with keV-level nuclear recoils

The Migdal effect predicts that a nuclear recoil interaction can be accompanied by atomic ionization, allowing many dark matter direct detection experiments to gain sensitivity to sub-GeV masses. We report the first direct search for the Migdal effect for M- and L-shell electrons in liquid xenon using nuclear recoils produced by tagged neutron scatters. Despite an observed background rate lower than that of expected signals in the region of interest, we do not observe a signal consistent with predictions. We discuss possible explanations, including inaccurate predictions for either the Migdal rate or the signal response in liquid xenon. We comment on the implications for direct dark matter searches and future Migdal characterization efforts. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

In-beam γ-ray spectroscopy of 68 Fe from charge exchange on 68 Co projectiles

Excited states in the neutron-rich nucleus 68 Fe were populated using a 9 Be( 68 Co, 68 Fe + γ)X charge-exchange reaction at 95 MeV/u. The new γ-ray transitions reported here for the first time complement data from β-decay studies and nucleon knockout reactions. In comparison to shell-model calculations with the LNPS effective interaction, two candidate states for the $6$$^{+}_{1}$ level emerge. Here, the distinct population pattern of excited states and the magnitude of the cross section, σ inc = 0.51(6) mb, make this reaction a promising one for future in-beam γ -ray spectroscopy. Reaction calculations with nuclear structure input from a new, locally optimized Hamiltonian, f7j4a, together with general considerations for heavy-ion-induced charge-exchange reactions appear consistent with most of the observations, although challenges remain.

59 ≤ A ≤ 89↗

DOE OSTI2021

The Snell's Law Shell Ionospheric Transfer Function

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

The Bouger's Law Shell Ionospheric Transfer Function

Ionospheric transfer function (ITF) algorithms determine the effects of the ionosphere on an electromagnetic (EM) radio-frequency (RF) signal as it propagates through. In this report, the Bouger’s law shell model is outlined. This ITF is very similar to the Snell’s Law Shell ITF; however, in this formulation, plasma parameters in the ionosphere are allowed to change radially. This algorithm is expressed in the frequency domain. In this way, it is applied as linear time invariant (LTI) filter function. Signals in this report are assumed to have only a single component (i.e. x, y or z in a rectangular coordinate system). Multi-component signals can be treated simply by applying the specific ITF to each component separately.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Onset of band structure in 70 Ga

Excited states in the odd-odd nucleus 70 Ga were studied using the 62 Ni( 14 C, αpn) fusion-evaporation reaction at the John D. Fox Superconducting Accelerator Laboratory at Florida State University with a 50 MeV beam. Depopulating γ rays were measured in coincidence with a Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. Analysis of γ–γ coincidences led to the addition of 16 new transitions to the 70 Ga level scheme, including transitions associated with the onset of a new positive-parity band structure likely based on the πg 9/2 ⊗ νg 9/2 configuration. Spins and parities were assigned using directional correlation of oriented nuclei (DCO) ratios and linear polarization measurements. Shell-model calculations with the JUN45 effective interaction reproduce the excitation energies of the positive-parity states reasonably well but predict negative-parity states that are typically 400–500 keV lower than observed. Furthermore, total Routhian surface calculations for the lowest positive-parity configuration with signature α = 0 indicate significant triaxiality (γ ≈ −20°) and the development of competing non-collective excitations at J = 8, corresponding to the experimentally observed onset of the positive-parity band. Similar features are found in the calculated surfaces for the lowest negative-parity states with α = 0.

59 ≤ A ≤ 89↗

DOE OSTI2022

Density matrix renormalization group description of the island of inversion isotopes F 28 – 33

Recent experiments have confirmed that the neutron-rich isotopes 28,29 F belong to the so-called island of inversion (IOI), a region of the nuclear chart around Z = 10 and N = 20 where nuclear structure deviates from the standard shell model predictions due to deformation and continuum effects. However, while the general principles leading to the IOI are relatively well understood, the details of the low-lying structure of the exotic fluorine isotopes 28–33 F are basically unknown. In this study, we perform large-scale shell model calculations including continuum states to investigate the properties of the neutron-rich isotopes 25–33 F, from a core of 24 O and using an effective two-body interaction with a small number of adjustable parameters in the central and tensor channels. We develop two models adjusted on experimentally confirmed states in 25,26 O and 25–27 F based on different assumptions concerning the positions of the neutron 0d 3/2 and 1p 3/2 shells, and solve the many-body problem using the density matrix renormalization group (DMRG) method for open quantum systems in an sd–fp model space. We obtain the first detailed spectroscopy of 25–33F in the continuum and show how the interplay between continuum effects and deformation explains the recent data on 28,29 F. Several deformed one- and two-neutron halo states are predicted in 29,31 F, and we provide some information about the possible structure of the heaviest fluorine isotopes. We also suggest several experimental studies of interest to constraint models and test the present predictions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Force-Triggered, Biobased Sealants for Prefabricated Building Components: Toward Improved Efficiency and Performance

The prefabricated building construction industry has made extensive progress in expediting the manufacture of prefabricated components at off-site plants. However, the sealing of joints between these components, which is crucial to ensuring the weatherproofing of the assembly, still represents a labor-intensive, on-site effort that relies on the manual installation of tapes and caulks. Here, to reduce work at the jobsite and improve the airtightness and waterproofness of building envelopes, we developed a sealant that can be installed at the plant on prefab components and have the curing reaction triggered at the jobsite by using microencapsulation technology to separate the reactive agents. A series of force-triggered, high-strength, and fast-curing sealants derived from biobased feedstocks were developed, which consist of a biobased epoxy agent encapsulated in a polymer shell, embedded in a biobased amine curing agent. The shell of the microcapsules allows an effective separation of the reactive species in the one-part sealant, allowing shelf stability to an otherwise fast-curing system as well as improving the hydrophobicity of the whole system. When force activates and breaks the microcapsules, the highly reactive epoxy and amine mix and cure, exhibiting peel strength values of up to 143 ppi (pounds per inch). The hydrophobicity of the sealants allows them to retain up to 94% of the original peel strength after complete submersion in water for 24 h, showcasing the water resistivity of the sealant system. The open-air shelf stability of the sealant complex is demonstrated by the obtention of peel strength values of ∼16 ppi when triggering the curing reaction even after being exposed 8 months to open air and humidity. The successful on-demand triggering of curing reactions and the shelf stability provide efficacy of these force-triggered sealants for installation on prefabricated components, storage for months prior to delivery, and assembly at a jobsite. These force-triggered biobased sealants for prefabricated buildings can result in lower installation time and cost and better performance than tapes and caulks at the jobsite.

biobased↗

DOE OSTI2026

Photochemically Triggered Para-Hydrogen-Induced Polarization in a Diplatinum Trihydride Complex

Transition metal complexes containing platinum(II) are of substantial interest for their rich photophysics, biomedical applications, and catalytic function. Nuclear magnetic resonance (NMR) spectra of the spin-1/2 isotope, 195Pt, offer detailed insights into the molecular structures of closed-shell Pt(II) complexes, including solvent effects. However, the sensitivity of 195Pt NMR is mediocre, and its NMR spectra are typically complex. As a result, 1H NMR spectra are used as the primary characterization tool for Pt(II)-based molecules, relying on J-coupling to the 195Pt nucleus to provide structural information from the resulting satellite peaks. In efforts to significantly improve the information content from 1H NMR spectroscopy in a Pt(II)-containing molecule, we utilize [Pt2H2(μ-H)(μ-dppm)2]PF6, where dppm is bis(diphenylphosphino)methane, and leverage its established photoactivity with UV light and H2 for para-hydrogen-induced polarization (PHIP) to enhance the resultant NMR signals, revealing numerous 195Pt J-couplings. Moreover, we investigate direct solvent hyperpolarization effects, as well as the indirect effects of solvent on the various observed J-coupling constants in the Pt species, demonstrating correlations with both Lewis basicity and dielectric constant.

Brown, Emily E. [Department of Chemistry; North Ca↗

DOE OSTI2021

Neutron Structure Functions at Large Bjorken X

The E12-10-002 (F2) experiment ran in Hall C at JLab to extract the F2 structure functions of proton and neutron from inclusive H(e, e0) and D(e, e0) reactions in the high Bjorken x region. Those extractions put constraints on the Parton Distribution Functions PDFs (especially at large Bjorken x), and facilitate the study of Quark Hadron Duality. The F2 experiment measurements covers a large kinematic range in x from 0.2 to 1.0, and in Q2 from 4 to 16 GeV2 . While the proton F2 structure function has been studied extensively through inelastic electron-proton scattering, much less is known about neutron structure due to the unavailability of high density, free neutron targets. The BONuS12 experiment was proposed to measure the neutron F2 on a nearly free neutron within a weakly bound deuteron target via the spectator tagging method. Tagging the slow backward moving spectator protons minimizes both off-shell and final-state interaction effects, and the measured proton momentum is used to correct for the initial-state momentum of the struck neutron. The recoil detector is used to detect spectator protons with momenta 70 < ps < 150 MeV/c. This dissertation outlines the design, construction and testing of the recoil detector, Radial Time Projection Chamber (RTPC) and discusses the results of the H(e, e0) and D(e, e0) cross sections and the F2 structure functions obtained from the Hall C F2 data analysis.

Nadeeshani, Sooriyaarachchilage↗

DOE OSTI2025

Recent advances in coupled cluster computations of open-shell atomic nuclei

In this contribution, we report on recent progress in coupled-cluster simulations of open-shell atomic nuclei using interactions consistently derived from chiral effective field theory. In particular, we compare different coupled-cluster approaches by computing binding energies and electric dipole polarizabilities in medium-mass calcium isotopes.

Marino, Francesco [Johannes Gutenberg Univ., Mainz↗

DOE OSTI2024

Implosion simulations and optimum times of radiographic Images in OMEGA high-density-carbon cylinder experiments

The Los Alamos Ignition Threshold team is planning direct-drive cylinder implosion experiments (CylDRT24B) at the OMEGA laser, scheduled for Thursday 23 May 2024, to investigate the effect of granular microstructure in high density carbon (HDC) shells. Granular microstructure is believed to play a crucial role in seeding perturbations, reducing compression, and enhancing mix in the implosion of HDC shells at the National Ignition Facility (NIF). But the ICF community lacks a detailed understanding of how grains induce these effects, owing partly to the practical difficulty of numerically simulating the behavior of tiny nanometer-scale granular structures in laboratory-scale experiments. Our planned experiments are aimed at acquiring data to help constrain simulations and calibrate reduced models.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Experimental and Theoretical Evaluation of Feed Flow Collar Design for Shell Fed Hollow Fiber Membrane Modules

An experimental and theoretical study of module collar design is presented here. Hollow fiber membranes are prepared by dip coating a poly(vinylidene) (PVDF) support with a polydimethylsiloxane (PDMS) gutter layer and a Pebax 2533 selective layer. Fiber bundles with a well-defined fiber packing are prepared using a 3D printed module. A parallel fiber bundle consisting of 4-9 uniformly spaced fibers is created with printed tabs that align the fibers and create a tubesheet. The tabs are sealed within a printed case that possesses a series of external ports for gas introduction and removal. Uniquely, both port location and the use of a collar to assist fluid distribution in the shell can be varied for the same fiber bundle. Experimental measurements are compared to computational fluid dynamics (CFD) simulations. The experimental module design allows high-fidelity representation of the fiber bundle and module case in the simulations. Comparisons between experiment and simulation are in good agreement over a broad range of experimental conditions. The detrimental effect of having ports located too close, leading to stagnation regions, is captured as well as the beneficial effects of using a collar for shell-side fluid distribution around the fiber bundle. Such results help validate the use of CFD to develop high-performance module designs.

Tran, Thien↗

DOE OSTI2022

Angular-momentum projection in coupled-cluster theory: Structure of 34 Mg

Single- reference coupled-cluster theory is an accurate and affordable computational method for the nuclear many-body problem. For open-shell nuclei, the reference state typically breaks rotational invariance and angular momentum must be restored as a good quantum number. We perform angular-momentum projection after variation and employ the disentangled coupled-cluster formalism and a Hermitian approach. We compare our results with benchmarks for 8 Be and 20 Ne using a two-nucleon interaction from chiral effective field theory and for pf-shell nuclei within the traditional shell model. We compute the rotational band in the exotic nucleus 34 Mg and find agreement with data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Wormholes from heavy operator statistics in AdS/CFT

We construct higher dimensional Euclidean AdS wormhole solutions that reproduce the statistical description of the correlation functions of an ensemble of heavy CFT operators. We consider an operator which effectively backreacts on the geometry in the form of a thin shell of dust particles. Assuming dynamical chaos in the form of the ETH ansatz, we demonstrate that the semiclassical path integral provides an effective statistical description of the microscopic features of the thin shell operator in the CFT. The Euclidean wormhole solutions provide microcanonical saddlepoint contributions to the cumulants of the correlation functions over the ensemble of operators. We finally elaborate on the role of these wormholes in the context of non-perturbative violations of bulk global symmetries in AdS/CFT.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Leveraging intermediate resonances to probe CP violation at colliders

We explore the phenomenological impact of interference in tree-level contributions to three-body final states in $2\rightarrow 3$ scattering processes. This work introduces a novel search strategy leveraging asymmetries to enable sensitivity to CP-violating effects in less well-explored regions of phase space. Analytically, we demonstrate the effectiveness of this observable in probing interference between Standard Model charged-current decays and effective left-handed vector interactions, illustrated in a toy model featuring a scalar leptoquark, $S_1 \sim (3, 1, -\,1/3)$. Numerically, we apply this framework to studying the process $pp\rightarrow b \tau \nu $; unlike traditional high-$p_T$ searches or “bump hunts”, this approach utilizes an intermediate energy regime – where new physics is neither light enough to be produced on shell or heavy enough to justify an effective field theory treatment. A proof-of-principle analysis at parton level demonstrates a percent-level asymmetry, with sensitivity also to BSM weak-CP phase. While the specific phase sensitivity is diminished at particle level due to showering and detector effects, a machine learning classifier can recover sensitively to the presence of SM-BSM interference, significantly outperforming standard analysis methods. Notably discrimination between BSM signal and SM background could be achieved at the 2$\sigma $ level for the current LHC dataset and 8$\sigma $ at the High-Luminosity LHC. Moreover, this asymmetry observable as defined can also be more broadly applied to other searches for CP-violation in $2\rightarrow 3$ processes in present and future collider environments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Ionization of Free and Confined Atoms and Ions (Final Technical Report)

Over the almost 22-year duration of this theoretical research project, a great deal of progress has been made in the understanding of the ionization of free and confined atomic and molecular systems along with a recent particular emphasis upon studies of the ultrafast time-delay phenomenon in the photoemission process. Our methods have emphasized the role of many-body interactions and relativistic effects in the various processes we have studied. The advances that we have made over the course of this project have been in the areas nondipole effects in the photoionization process, inner-shell photoemission from negative atomic ions, excited state photoionization of neutral atoms and positive atomic ions, Cooper minima in quadrupole photoionization, relativistic interaction in the photoionization of atoms and negative atomic ions, photoionization of the fullerene molecule C 60 along with the photoionization of atomic and molecular systems confined in the C 60 molecule, confinement resonances in endohedral atom photoemission, interchannel coupling effects in photoionization, Wigner time delay in free and confined atoms and ions, angular effects in Wigner time delay in atomic photoionization, photoionization of superheavy atoms and the influence of core relaxation on the photoionization of atomic systems, among others. In the course of this project, we have had extensive collaboration with experimentalists where we have explained the physics of numerous measurements and pointed the way to new laboratory investigations with our calculations. We have also collaborated with a number of theorists as well. Thus, owing to these many collaborations with scientists not funded by DOE, we have leveraged the DOE support rather considerably. To illustrate the depth and breadth of the theoretical investigations, listed below are the 138 refereed and invited publications that cite DOE support. These publications detail the many contributions made over the period of this project.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Nuclear charge densities in spherical and deformed nuclei: Toward precise calculations of charge radii

Precise measurements of atomic transitions affected by electron-nucleus hyperfine interactions offer sensitivity to explore basic properties of the atomic nucleus and study fundamental symmetries, including the search for new physics beyond the standard model of particle physics. Specifically, such measurements, augmented by atomic and nuclear calculations, will enable extraction of the higher-order radial moments of the charge-density distribution in spherical and deformed nuclei. The new data impose higher precision requirements on a theoretical description. The nuclear charge density is composed of the proton point distribution folded with the nucleonic charge distributions. The latter induce subtle relativistic corrections due to the coupling of nucleon magnetic moments with the nuclear spin-orbit density. Additional corrections come from the effect of center-of-mass projection. We assess the precision of nuclear charge density calculations by studying the behavior of relativistic and center-of-mass motion corrections to the second and fourth charge radial moments. Special attention has been paid to the magnetic spin-orbit density associated with the local variations of the spin-orbit current. The calculations for semimagic and open-shell nuclei are performed in the framework of self-consistent mean-field theory using quantified energy density functionals and density-dependent pairing forces. We used the general expression for the spin-orbit form factor that is valid for spherical and deformed nuclei. We studied the impact of various correction terms on the charge radii, fourth radial moments, diffraction radii, and surface thickness of spherical and deformed nuclei. The spin-orbit corrections to charge radial moments and surface thickness show strong shell fluctuations which can make an appreciable effect when aiming at high-precision predictions of isotopic shifts. The inclusion of relativistic and center-of-mass corrections impacts the quality of energy density functionals optimized to charge radii data. To establish reliable constraints on the existence of new forces from isotope shift measurements, precise calculations of nuclear charge densities of deformed nuclei are needed. The proper inclusion of the spin-orbit charge density and other correction terms is essential when aiming at extraction of subtle effects which become particularly visible in isotopic trends. It is also important when developing high-quality nuclear energy density functionals optimized using heterogeneous datasets involving absolute charge radii, differential charge radii, and charge form factor properties deduced from electron-scattering data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Amorphous nickel hydroxide shell tailors local chemical environment on platinum surface for alkaline hydrogen evolution reaction

In analogy to natural enzymes, an elaborated design of catalytic systems with a specifically tailored local chemical environment could substantially improve reaction kinetics, effectively combat catalyst poisoning effect and boost catalyst lifetime under unfavourable reaction conditions. Here we report a unique design of ‘Ni(OH) 2 -clothed Pt-tetrapods’ with an amorphous Ni(OH) 2 shell as a water dissociation catalyst and a proton conductive encapsulation layer to isolate the Pt core from bulk alkaline electrolyte while ensuring efficient proton supply to the active Pt sites. This design creates a favourable local chemical environment to result in acidic-like hydrogen evolution reaction kinetics with a lowest Tafel slope of 27 mV per decade and a record-high specific activity and mass activity in alkaline electrolyte. The proton conductive Ni(OH) 2 shell can also effectively reject impurity ions and retard the Oswald ripening, endowing a high tolerance to solution impurities and exceptional long-term durability that is difficult to achieve in the naked Pt catalysts. Furthermore, the markedly improved hydrogen evolution reaction activity and durability in an alkaline medium promise an attractive catalyst material for alkaline water electrolysers and renewable chemical fuel generation.

36 MATERIALS SCIENCE↗