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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 613 records · Page 34

Tunable plasmon-enhanced second-order optical nonlinearity in transition-metal dichalcogenide nanotriangles (Final Report for SC0008712)

The control of light-matter interaction at the nanoscale is a grand challenge that cuts across modern photonics, plasmonics, and optoelectronics. The development of simulation tools for predictive modeling of nanostructured light emitters and absorbers is critical to successfully tackling this grand challenge. Existing state-of-the-art tools are not suitable for the following reasons: a) Phenomenological models of materials, commonly employed in the full-wave solutions to Maxwell’s equations, are fit to experimental data for bulk materials and fall short when attempting to analyze nanostructures. b) Nonlinearities in optical response can arise solely from nanostructuring, and require time-dependent quantum electronic transport techniques to capture. c) Emergent materials with exotic and tunable physical properties are increasingly used, but their properties are very sensitive to the substrate, impurities, and edge termination, and require an accurate description of interband and intraband processes, as well as dissipation. d) Microscopic modeling of electronic transport usually employs simplified electrodynamics, and realistic models that couple full electronic transport with full-wave electrodynamics are needed for accurate photonics simulations. The objective of this project was to computational tools that will overcome the limitations faced by current modeling tools and provide an unprecedented level of accuracy for predictive modeling of light-matter interaction at the nanoscale.

36 MATERIALS SCIENCE↗

Enabling Real-time Scattering Data Analysis with Scalable Optimization [Slides]

Diffraction experiments produce datasets with rich multidimensional physics information such as microstructure, equations of state, crystal structure, elastoplastic properties, and other key inputs to LANL mission-essential multiphysics models. This information is typically extracted through a process called Rietveld refinement, which involves selecting appropriate models of the instrument, crystal structure, and microstructure, identifying suitable starting values, and then fitting often hundreds of model parameters using a sequence of empirical parameter turnon/off sequences within a non-global gradient-based optimization. Extensive user expertise is required to properly setup a refinement, identify appropriate models, and select initial parameter values close to truth, such that the refinement will yield parameter values that are optimally predictive. This is a very tedious manual process performed far after the beamline campaign has ended. As facilities have become capable of generating larger volumes of data, the limitation in throughput due to Rietveld refinement has led to a dramatic increase in unanalyzed data as opposed to an intended increase in new science. In our FY22 TED, we demonstrated an integrated toolset providing near real-time automated Rietveld analysis. If this toolset can be optimized to provide automated Rietveld analysis in real-time, this could alleviate the bottleneck in unanalyzed diffraction data, aid in decision-making during experiments, and increase efficiency of the facility.

74 ATOMIC AND MOLECULAR PHYSICS↗

Surface analysis insight note: Illustrating the effect of adventitious contamination on Pt photoemission peak intensities

Adventitious carbon contaminations are not only omnipresent and used for charge referencing of XPS spectra but also can alter the apparent presence of the element peaks that span over the large spectral window of binding energies. This Insight note describes the effect of an adventitious contamination layer on Pt and presents, in brief, the approach whereby the component spectra are derived for ion beam cleaned Pt samples that can then utilize linear mathematics to peak fit said spectra thus quantifying the amount of each component including that assigned to the contamination itself of Pt metal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact and mitigation of spectroscopic systematics on DESI DR1 clustering measurements

The large scale structure catalogs within DESI Data Release 1 (DR1) use nearly 6 million galaxies and quasars as tracers of the large-scale structure of the universe to measure the expansion history with baryon acoustic oscillations and the growth of structure with redshift-space distortions. In order to take advantage of DESI's unprecedented statistical power, we must ensure that the galaxy clustering measurements are unaffected by non-cosmological density fluctuations. One source of spurious fluctuations comes from variation in galaxy density with spectroscopic observing conditions, lowering the redshift efficiency (and thus galaxy density) in certain areas of the sky. We measure the uniformity of the redshift success rate for DESI luminous red galaxies (LRG), bright galaxies (BGS) and quasars (QSO), complementing the detailed discussion of emission line galaxy (ELG) systematics in a companion paper [1]. We find small but significant fluctuations of up to 3% in redshift success rate with the effective spectroscopic signal-to-noise, and create and describe weights that remove these fluctuations. We also describe the process to identify and remove data from certain poorly performing fibers from DESI DR1, and measure the stability of the redshift success rate with time. Finally, we find small but significant correlations of redshift success rate with position on the focal plane, survey speed, and number of exposures required, and show the impact of weights correcting these trends on the power spectrum multipoles and on cosmological parameters from BAO and RSD fits. These corrections change the best-fit parameters by <15% of their statistical errors, and thus contribute negligibly to the overall DESI error budget.

cosmological parameters from LSS↗

On the morphology of the gamma-ray galactic centre excess

ABSTRACT The characteristics of the galactic centre excess (GCE) emission observed in gamma-ray energies – especially the morphology of the GCE – remain a hotly debated subject. The manner in which the dominant diffuse gamma-ray background is modelled has been claimed to have a determining effect on the preferred morphology. In this work, we compare two distinct approaches to the galactic diffuse gamma-ray emission background: the first approach models this emission through templates calculated from a sequence of well-defined astrophysical assumptions, while the second approach divides surrogates for the background gamma-ray emission into cylindrical galactocentric rings with free independent normalizations. At the latitudes that we focus on, we find that the former approach works better, and that the overall best fit is obtained for an astrophysically motivated fit when the GCE follows the morphology expected of dark matter annihilation. Quantitatively, the improvement compared with the best ring-based fits is roughly 6500 in the χ2 and roughly 4000 in the log of the Bayesian evidence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Refractive index of lithium fluoride at high dynamic stresses

Alkali halides are prototypical ionic solids whose refractive index is a fundamental property related to their lattice structure and ionic polarizability. In particular, lithium fluoride (LiF) has the largest band gap of any known transparent material and maintains transparency at high pressures, making it well suited for use as an optical window in dynamic compression experiments. While empirical fits to the measured density dependence of the refractive index have been provided, a model that is valid over the entire pressure range of experiments and based on a polarization-based theoretical description is lacking. We present a refractive index model for dynamically compressed LiF based on the Lorentz-Lorenz equation, where the molecular polarizability is determined using a single oscillator model with a strain polarizability parameter Λ=0.73. Here, we show that our modeling approach provides an excellent match to the LiF refractive index data for both shock and ramp compression experiments to 900 GPa (density compression greater than threefold). Additionally, updated fits are provided to determine the refractive index correction for LiF windows used in dynamic compression experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Direct comparison of using a Z -transformation instead of the traditional $Q^2$ for extraction of the proton radius from $e-p$ scattering data

A discrepancy in the determination of the proton’s charge radius, r p , between muonic hydrogen spectroscopy versus classic atomic spectroscopy and electron scattering data has become known as the proton radius puzzle. Extractions of r p from electron scattering data require determination of the slope of the proton’s charge form factor, $G$$^{p}_{E}$, in the limit of Q 2 → 0 through fitting and extrapolation. Some works have presented the Z-transformation fitting technique as the best choice for this type of extraction due to the true functional form of $G$$^{p}_{E}$ being mathematically guaranteed to exist within the parameter-space of the fit function. In this work, we test this claim by examining the mathematical bias and variances introduced by this technique as compared to the more traditional Q 2 fits using statistically sampled $G$$^{p}_{E}$ parameterizations with known input radii. Furthermore, our tests conclude that the quality of the Z-transformation technique depends on the range of data used. In the case of new experiments, the fit function and technique should be selected in advance by generating realistic pseudodata and assessing the power of different techniques.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Anomalies, a mod 2 index, and dynamics of 2d adjoint QCD

We show that 2 2 d adjoint QCD, an SU(N) S U ( N ) gauge theory with one massless adjoint Majorana fermion, has a variety of mixed ’t Hooft anomalies. The anomalies are derived using a recent mod 2 2 index theorem and its generalization that incorporates ’t Hooft flux. Anomaly matching and dynamical considerations are used to determine the ground-state structure of the theory. The anomalies, which are present for most values of N N , are matched by spontaneous chiral symmetry breaking. We find that massless 2 2 d adjoint QCD confines for N >2 N > 2 , except for test charges of N N -ality N/2 N / 2 , which are deconfined. In other words, \mathbb Z_N ℤ N center symmetry is unbroken for odd N N and spontaneously broken to \mathbb Z_{N/2} ℤ N / 2 for even N N . All of these results are confirmed by explicit calculations on small \mathbb{R}\times S^1 ℝ × S 1 . We also show that this non-supersymmetric theory exhibits exact Bose-Fermi degeneracies for all states, including the vacua, when N N is even. Furthermore, for most values of N N , 2 2 d massive adjoint QCD describes a non-trivial symmetry-protected topological (SPT) phase of matter, including certain cases where the number of interacting Majorana fermions is a multiple of 8 8 . As a result, it fits into the classification of (1+1) ( 1 + 1 ) d SPT phases of interacting Majorana fermions in an interesting way.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

R-matrix Resolved Resonance Region Evaluation of 140,142 Ce

Oak Ridge National Laboratory completed the resolved resonance region (RRR) evaluation of the two most abundant cerium isotopes, 140 Ce (88.45%) and 142 Ce (11.11%), as requested by the US Nuclear Criticality Safety Program. These evaluations are based on recent high-resolution transmission and capture measurements performed on nat Ce and highly enriched 142 Ce samples at the JRC-Geel Linear Accelerator facility, as well as measured thermal constants available from the EXFOR database. Starting from the resonance parameters of the ENDF/B-VIII.0 library followed by a preliminary R-matrix analysis, an updated set of resonance parameters and corresponding covariance information were derived by fitting these measured data using the Reich–Moore approximation of the R -matrix theory, as implemented in the SAMMY code system. The 140 Ce RRR upper energy limit was kept at 200 keV, whereas the 142 Ce resonance region was extended from 13 to 26 keV. Updated statistical properties were obtained for the new evaluations and compared to those derived from the ENDF/B-VIII.0 nuclear data library. The new evaluation work improved some of the discrepancies found in previous work, such as the capture resonance integral and stellar Maxwellian-averaged cross sections. These integral quantities were mainly derived from the fit of the latest measured data, especially the neutron capture yield data for 142 Ce isotope.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Anomalies in global SMEFT analyses. A case study of first-row CKM unitarity

Recent developments in the Standard Model analysis of semileptonic charged-current processes involving light quarks have revealed ~ 3σ tensions in Cabibbo universality tests involving meson, neutron, and nuclear beta decays. In this paper, we explore beyond the Standard Model explanations of this so-called Cabibbo Angle Anomaly in the framework of the Standard Model Effective Field Theory (SMEFT), including not only low-energy charged current processes (‘L’), but also electroweak precision observables (‘EW’) and Drell-Yan collider processes (‘C’) that probe the same underlying physics across a broad range of energy scales. The resulting ‘CLEW’ framework not only allows one to test explanations of the Cabibbo Angle Anomaly, but is set up to provide near model-independent analyses with minimal assumptions on the flavor structure of the SMEFT operators. Besides the global analysis, we consider a large number of simpler scenarios, each with a subset of SMEFT operators, and investigate how much they improve upon the Standard Model fit. We find that the most favored scenarios, as judged by the Akaike Information Criterion, are those that involve right-handed charged currents. Additional interactions, namely oblique operators, terms modifying the Fermi constant, and operators involving right-handed neutral currents, play a role if the CDF determination of the W mass is included in the analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A general kinetic framework for dislocation mobility derived from probabilistic cellular automaton simulations of the kink-pair mechanism

Dislocation mobility laws are essential components of dislocation-density-based crystal plasticity models. For dislocations governed by the kink-pair mechanism, however, existing formulations are typically limited to specific regimes due to the com plex interplay between stochastic kink-pair nucleation and lateral kink migration. In this work, we develop a general kinetic framework that expresses the average dislocation velocity as a function of mechanism-level variables: positive/negative kink pair nucleation rates, kink migration velocity, dislocation segment length, critical kink-pair width, and kink height. Probabilis tic cellular automaton simulations are used to capture the behavior of conceptual dislocation segments between the limiting conditions of migration outpacing nucleation on the one end and nucleation outpacing migration on the other. An elemen tary functional form that captures the system dynamics is suggested and fitted against the simulation results. This framework remains valid for arbitrary combinations of the six variables and is, therefore, compatible with any admissible constitutive re lations that describe their stress and temperature dependence. Comparisons with established approaches and experimental results confirm the robustness and physical consistency of the formulation, making it broadly applicable to material systems in which dislocation motion is governed by the kink-pair mechanism.

36 MATERIALS SCIENCE↗

OzDES Reverberation Mapping of Active Galactic Nuclei: Final Data Release, Black-Hole Mass Results, & Scaling Relations

Over the last decade, the Australian Dark Energy (OzDES) collaboration has used Reverberation Mapping to measure the masses of high redshift supermassive black holes. Here we present the final review and analysis of this OzDES reverberation mapping campaign. These observations use 6-7 years of photometric and spectroscopic observations of 735 Active Galactic Nuclei (AGN) in the redshift range 0.13-3.85 and bolometric luminosity range 44.3 - 47.5 erg/s. Both photometry and spectra are observed in visible wavelengths, allowing for the physical scale of the AGN broad line region to be estimated from reverberations of the H{̱e̱ṯa̱}̱, MgII and CIV emission lines. We successfully use reverberation mapping to constrain the masses of 62 super-massive black holes, and combine with existing data to fit a power law to the lag-luminosity relation for the H{̱e̱ṯa̱}̱ and MgII lines with a scatter of ~0.25 dex, the tightest yet identified, fit specifically for consistency with high redshift AGN. We fit a similarly constrained relation for CIV, resolving a tension with the low luminosity literature AGN by accounting for selection effects arising from finite survey length. We also examine the impact of emission line width and luminosity (related to accretion rate) in reducing the scatter of these scaling relationships and find no significant improvement over the lag-only approach for any of the three lines. Using these relations, we further estimate the masses and accretion rates of 246 AGN with single epoch methods. We also use these relations to estimate the relative sizes of the H{̱e̱ṯa̱}̱, MgII and CIV emitting regions. In short, we provide a comprehensive benchmark of high redshift AGN reverberation mapping at the close of this most recent generation of surveys, including light curves, time-delays, and a set of significantly improved radius-luminosity relations for use with high-redshift populations.

McDougall, Hugh [Queensland U.]↗

Poles and poltergeists in e + e − → D D ¯ data

A recent report of e + e − → D D ¯ events by the BESIII collaboration suggests the presence of a structure R at 3900 MeV. We argue that this structure, called G ( 3900 ) in the past, is not in fact due to a new c c ¯ resonance but rather naturally emerges due to a combination of interference between nearby resonances and the opening of the D * D ¯ channel. We further find that the appearance of this structure does not require suppression because of a radial node in the ψ ( 4040 ) wave function, although a node improves fit quality. The measured e + e − coupling of ψ ( 4040 ) is found to be substantially smaller than previously estimated. In addition, we report new corrections to the measured cross section σ ( e + e − → D D ¯ ) at energies near ψ ( 3770 ) . Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Measurement of C P Violation in B 0 → K S 0 π 0 Decays at Belle II

We report a measurement of the C P -violating parameters C and S in B 0 → K S 0 π 0 decays at Belle II using a sample of 387 × 10 6 B B ¯ events recorded in e + e − collisions at a center-of-mass energy corresponding to the ϒ ( 4 S ) resonance. These parameters are determined by fitting the proper decay-time distribution of a sample of 415 signal events. We obtain C = − 0.0 4 − 0.15 + 0.14 ± 0.05 and S = 0.7 5 − 0.23 + 0.20 ± 0.04 , where the first uncertainties are statistical and the second are systematic. Published by the American Physical Society 2023

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Shot-noise-induced lower temperature limit of the nonneutral plasma parallel temperature diagnostic

Abstract We develop a new algorithm to estimate the temperature of a nonneutral plasma in a Penning-Malmberg trap. The algorithm analyzes data obtained by slowly lowering a voltage that confines one end of the plasma and collecting escaping charges, and is a maximum likelihood estimator based on a physically-motivated model of the escape protocol presented in (Beck in Measurement of the magnetic and temperature dependence of the electron-electron anisotropic temperature relaxation rate. PhD thesis, 1990). Significantly, our algorithm may be used on single-count data, allowing for improved fits with low numbers of escaping electrons. This is important for low-temperature plasmas such as those used in antihydrogen trapping. We perform a Monte Carlo simulation of our algorithm, and assess its robustness to intrinsic shot noise and external noise. The assumptions in this paper allow for a lower bound for measurable plasma temperatures of approximately $3\,\mathrm{K}$ 3 K for plasmas of length $1\,\mathrm{cm}$ 1 cm , with approximately 100 particle counts needed for an accuracy of $\pm 10 \%$ ± 10 % .

Zhong, Adrianne (ORCID:0000000162618736)↗

ATom (Acoustic Tomography Processing Suite) [SWR-24-120]

Acoustic tomography seeks the best-fit fluctuating velocity and temperature fields that explain a collection of signal travel times in a region of interest. This codebase defines an end-to-end framework for executing turbulent field retrievals from acoustic signals, acoustic signal design and processing tools for the physical array, and analysis tool that leverage virtual acoustic tomography arrays based on large-eddy simulations of the atmospheric boundary layer.

Hamilton, Nicholas↗

A New Measurement of the Neutron Electric Form Factor with the Super Bigbite Spectrometer Apparatus

Protons and neutrons, collectively known as nucleons, make up the nuclei at the core of atoms which form our world. The nucleon has been under intensive study for over 100 years, and yet we still do not fully understand the internal dynamics which govern properties like its spin or its mass-which contributes to almost all of the visible mass in the universe. These dynamics are governed by quantum chromodynamics(QCD), the predictions of which are experimentally tested at high energy accelerator facilities such as Jefferson Lab. TheGEN-II experiment (E12-09-016) is one such experiment. GEN-II is part of the Super Bigbite Spectrometer (SBS) experimental form factor pro gramme taking place in Hall A at Jefferson Lab, which aims to make precision measurements of the nucleon electromagnetic form factors(EMFFs)at record high values of squared four momentum transfer ¿2. EMFFs describe the electric and magnetic moment distributions within the nucleon. They can be measured through elastic electron scattering off the nucleon, and describe the recoil response of the target nucleon at a given energy scale. GEN-II is a double polarized semi-exclusive beam target asymmetry (BTA) experiment, seeking to measure the electric form factor of the neutron,¿¿ ¿,at three new values of squared four-momentum transfer¿2 =2.92,6.74and9.82GeV². The latter two points being at record high ¿2. The form factor is determined through measuring the BTA of quasielliptical scattering of a neutron from a polarized nuclear target. The experiment utilized the CEBAF accelerator to produce longitudinally polarized electrons up to ~85% polarization, which were scattered off neutrons within a novel polarized helium-3 (³He) target. This new polarized ³He target was employed by building on the technology of its precursors which existed in similar preceding experiments. This target was designed to operate at the high luminosities typical of Hall A, and reached a record breaking combination of polarization and beam intensity known as figure of merit, three times larger than those predecessors. The SBS collaboration designed and constructed two brand new high acceptance spectrometers for these experiments, an electron arm named Bigbite (BB) and a hadron arm named Super Bigbite. Both spectrometers featured a large acceptance EM dipole magnet, and complementary detector systems. The electron arm contained gaseous electronmultipliers(GEMs) which were used for high precision tracking of the scattered electrons, a heavy gas cherenkov (GRINCH) which was used for PID between electrons and pions, a plastic i ii scintillator timing hodoscope to provide high resolution timing of the start of events, and a pair of EM calorimeters (BBCal) which provided energy measurements of detected particles, and provided the experimental trigger. The hadron arm also contained a system of GEMs which will be utilized for future SBS experiments, and a hadron calorimeter designed to provide position, timing and energy measurements of the recoiling nucleon. The calibration of all detector subsystems, beam and target data is discussed, with a focus on novel timing calibrations to the hodoscope and hadron calorimeter. An analysis of selecting quasielliptical events and suppressing background contributions from a number of sources which contaminate the final event sample is given. The largest irreducible backgrounds are found to be from misidentified protons, timing accidentals and inelastic events. The physical asymmetry is measured and used to extract a value for the form factor ratio ¿¿ ¿/¿¿ ¿. High precision ¿2 data for ¿¿ ¿ is used to then extract ¿¿ ¿. This work finds at ¿2 = 2.92 GeV2 that ¿¿ ¿ = 0.0129+0.0019 -0.0020. This result is in statistical agreement with existing fits to world data, and predictions from the constituent quark model and Dyson–Schwinger equations, in this region of ¿2.

Penman, Gary [Univ. of Glasgow, Scotland (United K↗

Constraints on the Higgs boson self-coupling from single- and double-Higgs production with the ATLAS detector using $pp$ collisions at $\sqrt{s}$ = 13 TeV

Constraints on the Higgs boson self-coupling are set by combining double-Higgs boson analyses in the $b\overline{b}$$b\overline{b}$, $b\overline{b}$$τ^+$$τ^–$ and $b\overline{b}$$γγ$ decay channels with single-Higgs boson analyses targeting the $γγ$, $\overline{Z}$$\overline{Z}$$^*$, $WW^*$, $τ^+$$τ^–$ and $b\overline{b}$ decay channels. The data used in these analyses were recorded by the ATLAS detector at the LHC in proton–proton collisions at $\sqrt{s}$ = 13 TeV and correspond to an integrated luminosity of 126–139 fb –1 . The combination of the double-Higgs analyses sets an upper limit of $μ_{HH}$ < 2.4 at 95% confidence level on the double-Higgs production cross-section normalised to its Standard Model prediction. Combining the single-Higgs and double-Higgs analyses, with the assumption that new physics affects only the Higgs boson self-coupling ($λ_{HHH}$), values outside the interval –0.4 < $κ_λ$ = ($λ_{HHH}$/${λ}_{HHH}^{SM}$) < 6.3 are excluded at 95% confidence level. The combined single-Higgs and doubleHiggs analyses provide results with fewer assumptions, by adding in the fit more coupling modifiers introduced to account for the Higgs boson interactions with the other Standard Model particles. In this relaxed scenario, the constraint becomes –1.4 < $κ_λ$ < 6.1 at 95% CL.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗