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DOE OSTI2024

Synthesis and characterization of isotopically barcoded nickel, molybdenum, and tungsten taggants for intentional nuclear forensics

Intentional nuclear forensics is a concept wherein the deliberate addition of benign and persistent material signatures to nuclear material can be used to reduce the time between the discovery of material outside of regulatory control and determination of its original provenance. One concept within intentional nuclear forensics involves the use of perturbed stable isotopes to generate unique isotope ratio “barcodes” to encode information (e.g., production batch, location, etc.) and track material throughout the nuclear fuel cycle. Synthesis of taggant species of nickel (Ni), molybdenum (Mo), and tungsten (W) was undertaken via a double-spike mechanism, wherein two highly enriched isotopes of interest per elemental taggant were mixed to form an enriched “double-spike” which was subsequently isotopically diluted with bulk material having a natural isotopic composition. Two taggant species perturbing isotopic ratios, alpha (α) and beta (β), for each of Ni, Mo, and W were synthesized. Independent measurements of double spikes and alpha and beta taggant species agreed within uncertainty and are clearly resolvable from natural compositions. High-precision analyses were independently performed by MC-ICP-MS at two U.S. National Laboratories, with consensus values and uncertainties calculated for all samples. Observed isotopic perturbations in the final taggant species measured on the order of hundreds to thousands of permille (‰) with respect to natural for isotope ratios of interest (e.g., 60 Ni/ 58 Ni, 100 Mo/ 98 Mo, 186 W/ 183 W). Discrepancies between modeled and measured isotopic compositions were observed and are largely attributed to imprecise vendor assay values for starting materials. Using measured starting material compositions as inputs for the mixing model improved the level of agreement between predicted and measured α and β taggant isotope ratios. Overall, characterization of all taggant species demonstrates that this “barcode” concept could have viability for use in nuclear forensics. Finally, it is expected that for any two-isotope mixing array dozens of isotopic barcodes could be encoded into a material system and subsequently resolved utilizing modern mass spectrometric methods.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2023

Isospin-breaking effects in the three-pion contribution to hadronic vacuum polarization

Isospin-breaking (IB) effects are required for an evaluation of hadronic vacuum polarization at subpercent precision. While the dominant contributions arise from the e + e - → π + π - channel, also IB in the subleading channels can become relevant for a detailed understanding, e.g., of the comparison to lattice QCD. Here, we provide such an analysis for e + e - → 3π by extending our dispersive description of the process, including estimates of final-state radiation (FSR) and ρ–ω mixing. In particular, we develop a formalism to capture the leading infrared-enhanced effects in terms of a correction factor η3π that generalizes the analog treatment of virtual and final-state photons in the 2π case. The global fit to the e+e- → 3π data base, subject to constraints from analyticity, unitarity, and the chiral anomaly, gives for the total 3π contribution to the anomalous magnetic moment of the muon, of which ${a}^{FSR}_\mu [3\pi]$ = 0.51(1) x 10 -10 and ${a}^{\rho - \omega}_\mu [3\pi]$ = -2.68(70) x 10 -10 can be ascribed to IB. We argue that the resulting cancellation with ρ–ω mixing in e + e - → 2π can be understood from a narrow-resonance picture, and provide updated values for the vacuum-polarization-subtracted vector-meson parameters M ω = 782.70(3) MeV, M Φ = 1019.21(2) MeV, Γ ω = 8.71(3) MeV, and Γ Φ = 4.27(1) MeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

High pressure–derived nonsymmetrical [Cu 2 O] 2+ core for room-temperature methane hydroxylation

Nonsymmetrical oxygen-bridged binuclear copper centers have been proposed and modeled as intermediates and transition states in several C–H oxidation pathways, leading to the postulation that structural dissymmetry enhances the reactivity of the bridging oxygen. However, experimentally characterizing the structure and reactivity of these transient species is remarkably challenging. Here, we report the high-pressure synthesis of a metastable nonsymmetrical dicopper-μ-oxo compound with exceptional reactivity toward the mono-oxygenation of aliphatic C–H bonds. The nonequivalent coordination environment of copper stabilizes localized mixed valency and greatly enhances the hydrogen atom abstraction activity of the bridging oxygen, enabling room-temperature hydroxylation of methane under pressure. These findings highlight the role of dissymmetry in the reactivity of binuclear copper centers and demonstrate precise control of molecular structures by mechanical means.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Analog-to-digital converter based on voltage-controlled superconducting devices

The increasing demand for cryogenic electronics in superconducting and quantum computing systems calls for ultra-energy-efficient data conversion architectures that remain functional at deep cryogenic temperatures. Here, in this work, we present the first design of a voltage-controlled superconducting flash analog-to-digital converter (ADC) based on a voltage-controlled quantum-enhanced Josephson junction field-effect transistor (JJFET). Exploiting its strong gate tunability and transistor-like behavior, the JJFET offers a scalable alternative to conventional current-controlled superconducting devices while aligning naturally with CMOS-style design methodologies. Building on our previously developed Verilog-A compact model calibrated to experimental data, we design and simulate a three-bit JJFET-based flash ADC targeted for integration within cryogenic control and readout circuitry in quantum computing. The core comparator block is realized through careful bias current selection and augmented with a three-terminal nanocryotron to precisely define reference voltages. Cascaded JJFET comparators ensure robust voltage gain, cascadability, and logic-level restoration across stages. Simulation results demonstrate accurate quantization behavior with ultra-low power dissipation, underscoring the feasibility of voltage-driven superconducting mixed-signal circuits. This work establishes a critical step toward unifying superconducting logic and data conversion, paving the way for scalable cryogenic architectures in quantum–classical co-processors, low-power artificial intelligence accelerators, and next-generation energy-constrained computing platforms.

Analog-to-digital converter↗

DOE OSTI2025

A Model Predictive Control to Improve Grid Resilience

The following article details a model predictive control (MPC) to improve grid resilience when faced with variable generation resources. This topic is of significant interest to utility power systems where distributed intermittent energy sources will increase significantly and be relied on for electric grid ancillary services. Previous work on MPCs has focused on narrowly targeted control applications such as improving electric vehicle (EV) charging infrastructure or reducing the cost of integrating Energy Storage Systems (ESSs) into the grid. In contrast, this article develops a comprehensive treatment of the construction of an MPC tailored to electric grids and then applies it integration of intermittent energy resources. To accomplish this, the following article includes a description of a reduced order model (ROM) of an electric power grid based on a circuit model, an optimization formulation that describes the MPC, a collocation method for solving linear time-dependent differential algebraic equations (DAEs) that result from the ROM, and an overall strategy for iteratively refining the behavior of the MPC. Next, the algorithm is validated using two separate numerical experiments. First, the algorithm is compared to an existing MPC code and the results are verified by a numerically precise simulation. It is shown that this algorithm produces a control comparable to existing algorithms and the behavior of the control carefully respects the bounds specified. Second, the MPC is applied to a small nine bus system that contains a mix of turbine-spinning-machine-based and intermittent generation in order to demonstrate the algorithm’s utility for resource planning and control of intermittent resources. This study demonstrates how the MPC can be tuned to change the behavior of the control, which can then assist with the integration of intermittent resources into the grid. The emphasis throughout the paper is to provide systematic treatment of the topic and produce a novel nonlinear control compatible design framework applicable to electric grids and the control of variable resources. This differs from the more targeted application-based focus in most presentations.

microgrid↗

NASA NTRS2017

Airborne Demonstration of Atmospheric Oxygen Optical Depth Measurements with an Integrated Path Differential Absorption Lidar

We report on an airborne demonstration of atmospheric oxygen (O2) optical depth measurements with an Integrated Path Differential Absorption (IPDA) lidar using a fiber-based laser transmitter and photon counting detectors. Accurate atmospheric temperature and pressure measurements are needed for NASA's Active Sensing of CO2 Emissions over Nights, Days and Seasons (ASCENDS) mission. Since O2 is uniformly mixed in the atmosphere, its spectrum can be used to estimate the dry mixing ratio of CO2. In its airborne configuration, the IPDA lidar uses an Erbium Doped Fiber amplifier, a frequency doubler and single photon counting detectors to measure O2 absorption at multiple wavelengths near 765 nm. This instrument was deployed in 2013 and 2014 aboard NASA's DC-8 airborne laboratory as part of two campaigns to measure CO2 mixing ratios over a wide range of topography and weather conditions from altitudes ranging between 3 km and 13 km. In this paper we will review a summary of the results from our flights, discuss the errors that limit the precision and accuracy of the measurement and identify possible areas of improvement.

Methane↗

DOE OSTI2026

Satellite Reentry Predictions During Sudden Stratospheric Warmings

Prediction of uncontrolled satellite reentry time and trajectory are essential to avoid damages to human being and properties over land. Reentry time and trajectory are largely controlled by aerodynamic drag and mass neutral density below 200 km. In this paper, using a numerical model of the whole atmosphere, WACCM‐X, and a Precision Orbital Determination software, we demonstrate the major sudden stratospheric warming (SSW) in January 2009, during the deep solar minimum of 2009, may cause 0.2–0.3 day of variation in reentry time. The SSW can alter the mass density and composition mixing ratio in the lower thermosphere below 200 km through changed wave forcing and general circulation in the lower thermosphere. This is comparable to the effect of a 2‐SFU (Solar Flux Unit) solar radiance variation on the neutral density. 0.1 day of reentry time uncertainty corresponds to a global shift in impact location, that is, thousands of kilometers distance. For comparison, a major SSW during solar maximum contributes little to reentry time variation, which is predominantly controlled by the solar and geomagnetic forcing. We suggest a few proxies such as O/N 2 in the lower thermosphere or mean meridional wind to account for the lower atmosphere impacts in an operational model. This needs to be investigated in rigorous future work.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Precision Measurement of Neutrino Oscillation Parameters with 10 Years of Data from the NOvA Experiment

This Letter reports measurements of muon-neutrino disappearance and electron-neutrino appearance and the corresponding antineutrino processes between the two NOvA detectors in the NuMI neutrino beam. These measurements use a dataset with double the neutrino mode beam exposure that was previously analyzed, along with improved simulation and analysis techniques. A joint fit to these samples in the three-flavor paradigm results in the most precise single-experiment constraint on the atmospheric neutrino mass-splitting, $Δm^2_{32}= 2.431^{+0.036}_{-0.034} (-2.479^{+0.036}_{-0.036}) \times 10^{-3}$~eV$^2$ if the mass ordering is Normal (Inverted). In both orderings, a region close to maximal mixing with $\sin^2θ_{23}=0.55_{+0.06}^{-0.02}$ is preferred. The NOvA data show a mild preference for the Normal mass ordering with a Bayes factor of 2.4 (corresponding to 70% of the posterior probability), indicating that the Normal ordering is 2.4 times more probable than the Inverted ordering. When incorporating a 2D $Δm^2_{32}\textrm{--}\sin^2 2θ_{13}$ constraint based on Daya Bay data, this preference strengthens to a Bayes factor of 6.6 (87\%).

FOS: Physical sciences↗

NASA NTRS1994

SPADE H2O measurements and the seasonal cycle of statospheric water vapor

We present measurements of lower statospheric water vapor obtained during the Stratospheric Phototchemistry, Aerosols and Dynamics Expedition (SPADE) mission with a new high precision, fast response, Lyman-alpha hygrometer. The H2O data show a distinct seasonal cycle. For air that recently entered the statosphere, data collected during the fall show much more water vapor than data from the spring. Fast quasi-horizontal mixing causes compact relationships between water and N2O to be established on relatively short time scales. The measurements are consistent with horizontal mixing times of a few months or less. Vertical mixing appears to cause the seasonal variations in water vapor to propagate up to levels corresponding to air that has been in the stratosphere approximately one year.

Hintsa, Eric J.↗

NASA NTRS2009

Biasable Subharmonic Membrane Mixer for 520 to 600 GHz

The figure shows a biasable subharmonic mixer designed to operate in the frequency range from 520 to 600 GHz. This mixer is a prototype of low-power mixers needed for development of wideband, high-resolution spectrometers for measuring spectra of molecules in the atmospheres of Earth, other planets, and comets in the frequency range of 400 to 700 GHz. Three considerations dictated the main features of the design: It is highly desirable to operate the spectrometers at or slightly below room temperature. This consideration is addressed by choosing Schottky diodes as the frequency-mixing circuit elements because of all mixer diodes, Schottky diodes are the best candidates for affording sufficient sensitivity at or slightly below room-temperature range. The short wavelengths in the intended operating-frequency range translate to stringent requirements for precision of fabrication and assembly of the circuits; these requirements are even more stringent for wide-bandwidth circuits. This consideration is addressed in two ways: (1) As much as possible of the mixer circuitry is fabricated in the form of a monolithic integrated circuit on a GaAs membrane, employing a modified version of a process used previously to fabricate a non-subharmonic mixer for a frequency of 2.5 THz and frequency multipliers for frequencies up to 2 THz. (2) The remainder of the circuitry is precision machined into a waveguide block that holds the GaAs integrated circuit.

Schlecht, Erich↗

DOE OSTI2024

Kaon mixing beyond the standard model with physical masses

We present nonperturbative results for beyond the standard model kaon mixing matrix elements in the isospin symmetric limit ( m u = m d ) of QCD, including a complete estimate of all dominant sources of systematic error. Our results are obtained from numerical simulations of lattice QCD with N f = 2 + 1 flavors of dynamical domain wall fermions. For the first time, these quantities are simulated directly at the physical pion mass m π ∼ 139 MeV for two different lattice spacings. We include data at three lattice spacings in the range a = 0.11 – 0.07 fm and with pion masses ranging from the physical value up to 450 MeV. Compared to our earlier work, we have added both direct calculations at physical quark masses and a third lattice spacing making the removal of discretization effects significantly more precise and eliminating the need for any significant mass extrapolation beyond the range of simulated data. We renormalize the lattice operators nonperturbatively using RI-SMOM off-shell schemes. These schemes eliminate the need to model and subtract nonperturbative pion poles that arises in the RI-MOM scheme and, since the calculations are performed with domain wall fermions, the unphysical mixing between chirality sectors is suppressed. Our results for the bag parameters in the MS ¯ scheme at 3 GeV are B K ≡ B 1 = 0.5240 ( 17 ) ( 54 ) , B 2 = 0.4794 ( 25 ) ( 35 ) , B 3 = 0.746 ( 13 ) ( 17 ) , B 4 = 0.897 ( 02 ) ( 10 ) and B 5 = 0.6882 ( 78 ) ( 94 ) , where the first error is from lattice uncertainties and the second is the uncertainty due to the perturbative matching to MS ¯ . Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Molten Salts-Driven Discovery of a Polar Mixed-Anion 3D Framework at the Nanoscale: Zn 4 Si 2 O 7 Cl 2 , Charge Transport and Photoelectrocatalytic Water Splitting

Mixed-anion compounds widen the chemical space of attainable materials compared to single anionic compounds, but the exploration of their structural diversity is limited by common synthetic paths. Especially, oxychlorides rely mainly on layered structures, which suffer from low stability during photo(electro)catalytic processes. Herein we report a strategy to design a new polar 3D tetrahedral framework with composition Zn 4 Si 2 O 7 Cl 2 . We use a molten salt medium to enable low temperature crystallization of nanowires of this new compound, by relying on tetrahedral building units present in the melt to build the connectivity of the oxychloride. These units are combined with silicon-based connectors from a non-oxidic Zintl phase to enable precise tuning of the oxygen content. This structure brings high chemical and thermal stability, as well as strongly anisotropic hole mobility along the polar axis. These features, associated with the ability to adjust the transport properties by doping, enable to tune water splitting properties for photoelectrocatalytic H 2 evolution and water oxidation. This work then paves the way to a new family of mixed-anion solids

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Prospects for Galactic and stellar astrophysics with asteroseismology of giant stars in the TESS continuous viewing zones and beyond

ABSTRACT The NASA Transiting Exoplanet Survey Satellite (NASA-TESS) mission presents a treasure trove for understanding the stars it observes and the Milky Way, in which they reside. We present a first look at the prospects for Galactic and stellar astrophysics by performing initial asteroseismic analyses of bright (G < 11) red giant stars in the TESS southern continuous viewing zone (SCVZ). Using three independent pipelines, we detect νmax and Δν in 41 per cent of the 15 405 star parent sample (6388 stars), with consistency at a level of $\sim \! 2{{\ \rm per\ cent}}$ in νmax and $\sim \! 5{{\ \rm per\ cent}}$ in Δν. Based on this, we predict that seismology will be attainable for ∼3 × 105 giants across the whole sky and at least 104 giants with ≥1 yr of observations in the TESS-CVZs, subject to improvements in analysis and data reduction techniques. The best quality TESS-CVZ data, for 5574 stars where pipelines returned consistent results, provide high-quality power spectra across a number of stellar evolutionary states. This makes possible studies of, for example, the asymptotic giant branch bump. Furthermore, we demonstrate that mixed ℓ = 1 modes and rotational splitting are cleanly observed in the 1-yr data set. By combining TESS-CVZ data with TESS-HERMES, SkyMapper, APOGEE, and Gaia, we demonstrate its strong potential for Galactic archaeology studies, providing good age precision and accuracy that reproduces well the age of high [α/Fe] stars and relationships between mass and kinematics from previous studies based on e.g. Kepler. Better quality astrometry and simpler target selection than the Kepler sample makes this data ideal for studies of the local star formation history and evolution of the Galactic disc. These results provide a strong case for detailed spectroscopic follow-up in the CVZs to complement that which has been (or will be) collected by current surveys.

Mackereth, J. Ted↗

NASA NTRS1989

Revised reference model for nitric acid

A nearly global set of data on the nitric acid distribution was obtained for seven months by the Limb Infrared Monitor of the Stratosphere (LIMS) experiment on the Nimbus 7 spacecraft. The evaluation of the accuracy, precision, and resolution of these data is described, and a description of the major features of the nitric acid distributions is presented. The zonal mean for nitric acid is distributed in a stratospheric layer that peaks near 30 mb, with the largest mixing ratios occurring in polar regions, especially in winter.

Gille, J. C.↗

NASA NTRS1993

Revised reference model for nitric acid

Gille, J. C.↗

NASA NTRS2001

The Energetic Trans-Iron Composition Experiment (ENTICE) on the Heavy Nuclei Explorer (HNX)

The ENTICE experiment is one of two instruments which make up the HNX mission. The experimental goal of ENTICE is to measure with high precision the elemental abundances of all nuclei with 10<=Z<=82. This will enable us to distinguish between possible injection mechanisms for the galactic cosmic ray accelerator such-as those dependent upon volatility or first ionization potential, and to study the mix of nucleosynthetic processes that contribute to the galactic cosmic ray source. The ENTICE experiment utilizes the dE/dx-C method of charge determination and consists of silicon dE/dx detectors, Cherenkov detectors with two different refractive indices, and a scintillating fiber hodoscope. The geometrical factor of the instrument is 8m2.sr. We will present a description of the instrument and its expected performance based on beam tests and a balloon flight of a prototype instrument.

Israel, M. H.↗

DOE OSTI2024

Comparative Analyses of Bioequivalence Assessment Methods for In Vitro Permeation Test Data

ABSTRACT For topical, dermatological drug products, an in vitro option to determine bioequivalence (BE) between test and reference products is recommended. In particular, in vitro permeation test (IVPT) data analysis uses a reference‐scaled approach for two primary endpoints, cumulative penetration amount (AMT) and maximum flux ( J max ), which takes the within donor variability into consideration. In 2022, the Food and Drug Administration (FDA) published a draft IVPT guidance that includes statistical analysis methods for both balanced and unbalanced cases of IVPT study data. This work presents a comprehensive evaluation of various methodologies used to estimate critical parameters essential in assessing BE. Specifically, we investigate the performance of the FDA draft IVPT guidance approach alongside alternative empirical and model‐based methods utilizing mixed‐effects models. Our analyses include both simulated scenarios and real‐world studies. In simulated scenarios, empirical formulas consistently demonstrate robustness in approximating the true model, particularly in effectively addressing treatment–donor interactions. Conversely, the effectiveness of model‐based approaches heavily relies on precise model selection, which significantly influences their results. The research emphasizes the importance of accurate model selection in model‐based BE assessment methodologies. It sheds light on the advantages of empirical formulas, highlighting their reliability compared to model‐based approaches and offers valuable implications for BE assessments. Our findings underscore the significance of robust methodologies and provide essential insights to advance their understanding and application in the assessment of BE, employed in IVPT data analysis.

Leon, Sami↗

DOE OSTI2024

On-line installation of the Superallowed Transition Beta-Neutrino Decay Ion Coincidence Trap

The Cabibbo-Kobayashi-Maskawa quark mixing matrix currently does not satisfy unitarity at the 2σ-level. This could be the result of an inaccurate value of one or both of its largest matrix elements V us and V ud . In the case of V ud , the most precise measurement is obtained from the f t -value measurements of superallowed beta-transitions between 0 + states. The accuracy of this determination can, in turn, be tested by extracting V ud in other transitions including superallowed transitions between mirror nuclei. The Superallowed Transition Beta-Neutrino Decay Ion Coincidence Trap (St. Benedict) is currently under construction at the Nuclear Science Laboratory of the University of Notre Dame to perform such a determination, with the goal of shedding more light on this tension with unitarity. St. Benedict will take a radioactive ion beam produced by TwinSol , thermalize it in a large volume gas catcher, then transport it in two separate differentially-pumped volumes using a radio-frequency (RF) carpet and a radio-frequency quadrupole (RFQ) ion guide before injecting it in an RFQ trap to create cool ion bunches for injection in the measurement Paul trap. In this paper, we detail the installation of the beam preparation components of St. Benedict, and present the results of the first RIBs successfully stopped and extracted from its gas catcher.

Brodeur, M.↗