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DOE OSTI2026

Deterministic Control of Sn 3+ Valence and Electronic Phase Evolution in AgSnSe 2

Understanding how unusual oxidation states influence material properties is important for both fundamental science and energy applications. AgSnSe 2 is particularly intriguing because it stabilizes the rare and long-debated Sn 3+ oxidation state, whose true existence and role have remained enigmatic for many years. Here, in this work, we employ X-ray photoelectron spectroscopy, Mössbauer spectroscopy, and X-ray absorption spectroscopy to directly probe the oxidation state of Sn and its evolution under chemical substitution. All experimental evidence consistently confirms the presence of Sn in the +3 oxidation state in AgSnSe 2 . Complementary density functional theory calculations further corroborate this assignment. By substituting Sn with Sb, we systematically control the electronic state and its impact on the material’s physical properties. At low Sb concentrations, AgSnSe 2 retains superconductivity with a transition temperature of ∼5 K, while increasing Sb content deterministically drives a metallic-to-semiconducting transition through progressive suppression of superconductivity. Spectroscopic analyses show that Sb substitution provides deterministic control of the Sn oxidation state, evolving from a uniform +3 configuration in AgSnSe 2 to a mixed +2/+4 valence-skipping regime at higher Sb levels, thereby establishing a direct chemical handle over the material’s electronic phase. This tunability demonstrates that the Sn oxidation state in AgSnSe2 can be precisely engineered through Sb substitution, enabling controlled electronic phase transitions and establishing AgSnSe 2 as a promising platform for quantum and energy-related applications

crystal structure↗

DOE OSTI2025

Graph reinforcement learning for exploring model spaces beyond the standard model

We present a methodology for performing scans of beyond the standard model (BSM) parameter spaces with reinforcement learning. We identify a novel procedure using graph neural networks that is capable of exploring spaces of models without the user specifying a fixed particle content, allowing broad classes of BSM models to be explored—in theory, the technique is applicable to nearly any model space with a prespecified gauge group. We provide a generic procedure by which a suitable graph grammar can be developed for any BSM model that features user-specified symmetry groups and a finite number of different possible particle species, the use of which is applicable to a variety of machine learning tasks over the actions of BSM theories beyond our particular reinforcement learning use case. As a proof of concept, we construct the graph grammar for theories with vectorlike leptons that may or may not be charged under a dark U ( 1 ) group, inspired by portal matter extensions of the sub-GeV vector portal/kinetic mixing simplified dark matter models. We then use this graph grammar to create a reinforcement learning environment tasked with creating models with these vectorlike leptons that are consistent with a list of a variety of precision observables. The reinforcement learning agent succeeds in developing models that can address the observed muon anomalous magnetic moment discrepancy while remaining consistent with flavor violation and electroweak precision observables, including both constructions that have previously been studied as well as new models that have not, to our knowledge, previously been identified. By inspecting the resulting ensembles of models that the agent produces and experimenting with different configurations for our reinforcement learning environment and graph grammar, we also infer various lessons about the development of these environments that can be transferable to reinforcement learning scans of more complicated model spaces and comment on future directions for the development of this technique into a more mature tool. Published by the American Physical Society 2025

Wojcik, George N.↗

NASA NTRS2012

Goldstone Solar System Radar Waveform Generator

Due to distances and relative motions among the transmitter, target object, and receiver, the time-base between any transmitted and received signal will undergo distortion. Pre-distortion of the transmitted signal to compensate for this time-base distortion allows reception of an undistorted signal. In most radar applications, an arbitrary waveform generator (AWG) would be used to store the pre-calculated waveform and then play back this waveform during transmission. The Goldstone Solar System Radar (GSSR), however, has transmission durations that exceed the available memory storage of such a device. A waveform generator capable of real-time pre-distortion of a radar waveform to a given time-base distortion function is needed. To pre-distort the transmitted signal, both the baseband radar waveform and the RF carrier must be modified. In the GSSR, this occurs at the up-conversion mixing stage to an intermediate frequency (IF). A programmable oscillator (PO) is used to generate the IF along with a time-varying phase component that matches the time-base distortion of the RF carrier. This serves as the IF input to the waveform generator where it is mixed with a baseband radar waveform whose time-base has been distorted to match the given time-base distortion function producing the modulated IF output. An error control feedback loop is used to precisely control the time-base distortion of the baseband waveform, allowing its real-time generation. The waveform generator produces IF modulated radar waveforms whose time-base has been pre-distorted to match a given arbitrary function. The following waveforms are supported: continuous wave (CW), frequency hopped (FH), binary phase code (BPC), and linear frequency modulation (LFM). The waveform generator takes as input an IF with a time varying phase component that matches the time-base distortion of the carrier. The waveform generator supports interconnection with deep-space network (DSN) timing and frequency standards, and is controlled through a 1 Gb/s Ethernet UDP/IP interface. This real-time generation of a timebase distorted radar waveform for continuous transmission in a planetary radar is a unique capability.

Quirk, Kevin J.↗

NASA NTRS2017

Mapping the Iron Oxidation State in Martian Meteorites

Several types of Martian igneous meteorites have been identified: clinopyroxenites (nakhlites), basaltic shergottites, peridotitic shergottites, dunites (chassignites) and orthopyroxenites [1,2]. In order to constrain the heterogeneity of the Martian mantle and crust, and their evolution through time, numerous studies have been performed on the iron oxidation state of these meteorites [3,4,5,6,7,8,9]. The calculated fO2 values all lie within the FMQ-5 to FMQ+0.5 range (FMQ representing the Fayalite = Magnetite + Quartz buffer); however, discrepancies appear between the various studies, which are either attributed to the choice of the minerals/melts used, or to the precision of the analytical/calculation method. The redox record in volcanic samples is primarily related to the oxidation state in the mantle source(s). However, it is also influenced by several deep processes: melting, crystallization, magma mixing [10], assimilation and degassing [11]. In addition, the oxidation state in Martian meteorites is potentially affected by several surface processes: assimilation of sediment/ crust during lava flowing at Mars' surface, low temperature micro-crystallization [10], weathering at the surface of Mars and low temperature reequilibration, impact processes (i.e. high pressure phase transitions, mechanical mixing, shock degassing and melting), space weathering, and weathering on Earth (at atmospheric conditions different from Mars). Decoding the redox record of Martian meteorites, therefore, requires large-scale quantitative analysis methods, as well as a perfect understanding of oxidation processes.

Martin, A. M.↗

NASA NTRS2022

Development of Gas Analysis Capabilities

Project Description: The project objective was to develop gas analysis methodology and processes to identify and quantify contaminants specific to KSC, primarily volatile organic compounds (VOCs), utilizing the recently purchased gas chromatograph-mass spectrometer (GCMS) coupled with a sample pre-concentrator. This work established a standing, quick-turnaround quantitative GCMS methodology for KSC-specific VOCs associated with launching and landing spacecraft at trace-levels far below previous detection limits. Closeout Summary: This project established a standing methodology for rapid turnaround identification and quantification of 119 targeted VOCs considered most likely to be encountered at KSC. Of these, 111 of the calibration files are based on manufacturer-certified gas standard mixes. The other eight were generated using standards generated in-house from neat, certified reference materials using procedures for standard generation that were developed under this project. Additionally, the spectral signatures of two hydrofluorocarbon precision cleaning solvents, that are widely used in flight hardware processing, have been added to the mass spectral library for rapid qualitative identification.

Cristina Oropeza↗

NASA NTRS2007

Laser Sounder for Global Measurement of CO2 Concentrations in the Troposphere from Space

Measurements of tropospheric CO2 abundance with global-coverage, a few hundred km spatial and monthly temporal resolution are needed to quantify processes that regulate CO2 storage by the land and oceans. The Orbiting Carbon Observatory (OCO) is the first space mission focused on atmospheric CO2 for measuring total column CO, and O2 by detecting the spectral absorption in reflected sunlight. The OCO mission is an essential step, and will yield important new information about atmospheric CO2 distributions. However there are unavoidable limitations imposed by its measurement approach. These include best accuracy only during daytime at moderate to high sun angles, interference by cloud and aerosol scattering, and limited signal from CO2 variability in the lower tropospheric CO2 column. We have been developing a new laser-based technique for the remote measurement of the tropospheric CO2 concentrations from orbit. Our initial goal is to demonstrate a lidar technique and instrument technology that will permit measurements of the CO2 column abundance in the lower troposphere from aircraft. Our final goal is to develop a space instrument and mission approach for active measurements of the CO2 mixing ratio at the 1-2 ppmv level. Our technique is much less sensitive to cloud and atmospheric scattering conditions and would allow continuous measurements of CO2 mixing ratio in the lower troposphere from orbit over land and ocean surfaces during day and night. Our approach is to use the 1570nm CO2 band and a 3-channel laser absorption spectrometer (i.e. lidar used an altimeter mode), which continuously measures at nadir from a near polar circular orbit. The approach directs the narrow co-aligned laser beams from the instrument's lasers toward nadir, and measures the energy of the laser echoes reflected from land and water surfaces. It uses several tunable fiber laser transmitters which allowing measurement of the extinction from a single selected CO2 absorption line in the 1570 nm band. This band is free from interference from other gases and has temperature insensitive absorption lines. During the measurement the lasers are tuned on- and off- a selected CO2 line near 1572 nm and a selected O2 line near 768 nm in the Oxygen A band at kHz rates. The lasers use tunable diode seed lasers followed by fiber amplifiers, and have spectral widths much narrower than the gas absorption lines. The receiver uses a 1-m diameter telescope and photon counting detectors and measures the background light and energies of the laser echoes from the surface. The extinction and column densities for the CO2 and O2 gases are estimated from the ratio of the on and offline surface echo via the differential optical absorption technique. Our technique rapidly alternates between several on-line wavelengths set to the sides of the selected gas absorption lines. It exploits the atmospheric pressure broadening of the lines to weight the measurement sensitivity to the atmospheric column below 5 km. This maximizes sensitivity to CO2 in the boundary layer, where variations caused by surface sources and sinks are largest. Simultaneous measurements of O2 column will use an identical approach with an O2 line. Thee laser frequencies are tunable and have narrow (MHz) line widths. In combination with sensitive photon counting detectors these enables much higher spectral resolution and precision than is possible with passive spectrometer. 1aser backscatter profiles are also measured, which permits identifying measurements made to cloud tops and through aerosol layers. The measurement approach using lasers in common-nadir-zenith path allows retrieving CO2 column mixing ratios in the lower troposphere irrespective of sun angle. Pulsed laser signals, time gated receiver and a narrow receiver field-of-view are used to isolate the surface laser echo signals and to exclude photons scattered from clouds and aerosols. Nonetheless, the optical absorption change due to a change of a few ppO2 is small, <1 % which makes achieving the needed measurement sensitivities and stabilities quite challenging. Measurement SNRs and stabilities of >600:1 are needed to estimate CO2 mixing ratio at the 1-2 ppm level. We have calculated characteristics of the technique and have demonstrated aspects of the laser, detector and receiver approaches in th e laboratory We have also measured O2 in an absorption cell, and made C02 measurements over a 400 m long (one way) horizontal path using a sensor breadboard. We will describe these and more details of our approach in the paper.

Abshire, James B.↗

NASA NTRS1988

High resolution chronology of late Cretaceous-early Tertiary events determined from 21,000 yr orbital-climatic cycles in marine sediments

A number of South Atlantic sites cored by the Deep Sea Drilling Project (DSDP) recovered late Cretaceous and early Tertiary sediments with alternating light-dark, high-low carbonate content. The sedimentary oscillations were turned into time series by digitizing color photographs of core segments at a resolution of about 5 points/cm. Spectral analysis of these records indicates prominent periodicity at 25 to 35 cm in the Cretaceous intervals, and about 15 cm in the early Tertiary sediments. The absolute period of the cycles that is determined from paleomagnetic calibration at two sites is 20,000 to 25,000 yr, and almost certainly corresponds to the period of the earth's precessional cycle. These sequences therefore contain an internal chronometer to measure events across the K/T extinction boundary at this scale of resolution. The orbital metronome was used to address several related questions: the position of the K/T boundary within magnetic chron 29R, the fluxes of biogenic and detrital material to the deep sea immediately before and after the K/T event, the duration of the Sr anomaly, and the level of background climatic variability in the latest Cretaceous time. The carbonate/color cycles that were analyzed contain primary records of ocean carbonate productivity and chemistry, as evidenced by bioturbational mixing of adjacent beds and the weak lithification of the rhythmic sequences. It was concluded that sedimentary sequences that contain orbital cyclicity are capable of providing resolution of dramatic events in earth history with much greater precision than obtainable through radiometric methods. The data show no evidence for a gradual climatic deterioration prior to the K/T extinction event, and argue for a geologically rapid revolution at this horizon.

Herbert, Timothy D.↗

DOE OSTI2026

Flavor as an Incomplete Structure: Conceptual Questions and the Role of DUNE

Flavor remains one of the most successful yet least understood structures of the Standard Model. The discovery of the Higgs boson completed the electroweak account of mass generation, but did not explain the origin of fermion families, mass hierarchies, or mixing patterns. In this sense, flavor can be regarded as an empirically successful but conceptually incomplete structure. Neutrinos occupy a particularly sensitive place within this problem: their masses are tiny, their mixing is large, and their mass-generation mechanism may differ from that of charged fermions. In this article, we discuss flavor as an open conceptual problem and argue that DUNE, as a phased program spanning precision oscillation measurements and sensitivity to BSM and dark-sector phenomena, provides a powerful framework for testing the self-consistency and possible limits of the present three-flavor description. In particular, the complementarity between the long-baseline program and the Phase I near-detector complex, together with the DUNE-PRISM strategy for controlling interaction-model systematics and enabling data-driven near-to-far predictions, makes DUNE especially well-suited to search for small, correlated departures from the minimal flavor framework.

Montanari, Claudio S. [Fermilab; INFN, Pavia] (ORC↗

NASA NTRS2010

Environmental Stress Testing of the Single Sample Cylinder: A Proven Consensus Standard for Internal Gas Analysis (IGA) or Residual Gas Analysis (RGA)

In August 2008, Schuessler Consulting was contracted by NASA GSFC in support of the NASA Electronic Parts and Packaging (NEPP) program to perform two separate studies on moisture laden air in a stainless steel cylinder that had been designed to become a consensus standard for Test Method 1018. This Test Method was originally released for hybrids under Mil. Std. 883 but was quickly utilized on other microelectronic devices under the auspice of Mil. Std. 750. The cylinder had subsequently been fabricated for the 750 community. It was back-filled with moist air and subsequently analyzed over a period of time under a previous NASA contract. It had been shown that moisture in the 4000 - 5000 ppm range could be analyzed rather precisely with a mass spectrometer, commonly referred to as a Residual Gas Analyzer (RGA). The scope of this study was to ascertain if the composition and precision varied as a function of thermal shock at sub-zero temperatures and whether there was consensus when the standard was submitted to other RGA units. It was demonstrated and published that the consensus standard would yield precise RGA data for moisture within +/- 1% when optimized for a given RGA unit. It has been subsequently shown in this study at Oneida Research Services, that sub-zero storage did not affect that precision when a well-defined protocol for the analysis was followed. The consensus standard was taken to a second facility for analysis where it was found that moisture adsorption on the transfer lines caused precision to drop to +/- 12%. The Single Sample Cylinder (SSC) is a one liter stainless steel cylinder with associated sampling valves and has considerable weight and volume. But this considerable size allows for approximately 300 gas samples of the same composition to be delivered to any RGA unit. Lastly, a smaller cylinder, approximately 75 cc, of a second consensus standard was fabricated and tested with a different mix of fixed gases where moisture was kept in the 100 ppm range. This second standard has the potential of providing 30 gaseous samples and can be readily shipped to any analytical facility that desires to generate comparison RGA data. A series of comparison residual gas analyses was performed at the Honeywell Federal Manufacturing & Technologies facility in the National Nuclear Facility Administration s plant in Kansas City to complete this project. It was shown that improvements in the precision of a given RGA unit can be done by controlling the cycle time for each analysis and increasing analysis temperatures to minimize moisture adsorption. It was also found that a "one time event" in the subzero storage of the large SSC did not effect the units ability to continuously supply precise samples of the same chemistry, however the "event" caused a permanent +8% shift in the reported value of the moisture content. Lastly, a set of SSC RGA results was plotted on a common graph with DSCC "correlation study" RGA data. The result demonstrates the ability of the SSC to remove many of the individual variances that single, individual samples introduce. The consensus standards are now in storage at Oneida Research Services, one of the DSCC certified houses that does RGA to Military Standards, where they await future studies. The analytical data and the operational parameters of the instruments used are provided in the following discussion. Limitations and suggested means for improvement of both precision and accuracy are provided.

Schuessler, Philipp WH↗

NASA NTRS1983

The Uranian satellites and Hyperion - New spectrophotometry and compositional implications

New reflectance spectra at 3.5 percent resolution have been obtained for Ariel, Titania, Oberon, and Hyperion in the 0.8 to 1.6-micron spectrum region. The new spectra show no absorptions other than the 1.5 micron water-ice feature (within the precision of the data), and demonstrate extension into the 0.8- to 1.6 micron region of the 1.5- to 2.5 micron spectral similarity ofo Ariel to Hyperion (Brown and Cruikshank, 1983). The new data confirm the presence of a dark, spectrally bland component on/in the water-ice surfaces of the Uranian satellites, which, with some reservations, has spectral similarities to the dark substance on the leading side of lapetus and the dark material on/in the surface of Hyperion, as well as other dark, spectrally neutral substances such as charcoal. Attempts were made to match the spectra of Ariel, Titania, and Oberon with additive reflectance mixes (aeral coverage) of fine-grained water frost and various dark components such as charcoal, lampblack, and charcoal-water-ice mixtures. The results were broad limits on the amounts of possible areal coverage of a charcoal-like spectral component on the surfaces of the Uranian satellites, but the data are not of sufficient precision to conclusively determine whether the dominant mode of contaminant dispersal is areal or voluminal. The effect of highly variegated albedos on the diameters derived by Brown, Cruikshank, and Morrison (1982) is found to be small.

Brown, R. H.↗

NASA NTRS1992

FNAS: The magnetic configuration leading to solar flares

We present a method for solving plasma magnetohydrodynamic (MHD) problems arising from the interaction of plasmas with magnetic fields in stellar atmospheres. Our approach, in contrast to previous methods, is not based on solving equations for the magnetic field and plasma velocity but rather studies the evolution of the electric current and density (and the related gas pressure). We have applied the method to several studies involving linearized departures from static, current-free equilibria. The applications show explicit solutions for cases found in astrophysics and to problems encountered with earlier studies where the gas pressure was neglected. The method is particularly well suited for studying situations which involve a transition between high and low plasma-beta regions. It shows precisely how electric currents, and magnetic free-energy, build up in the plasma as a result of the slow stressing of a potential magnetic field configuration. The method also demonstrates how transverse-current waves, a mix of Alfven and magneto-acoustic modes, propagate in a low-beta plasma for any density stratification and background field geometry.

Fontenla, Juan M.↗

DOE OSTI2025

Mixed Element Microparticle Characterization by Electron Probe Microanalysis

Abstract Microparticle compositional characterization for nuclear forensics has traditionally been achieved by “gold-standard” destructive analytical techniques such as large geometry-secondary ion mass spectrometry and fission track-thermal ionization mass spectrometry, but long processing times and total sample consumption eliminate the option of subsequent analysis by other methods. Electron probe microanalysis has long been widely employed for rapid, nondestructive, micrometer-scale compositional measurements and imaging in fields such as material science and geology and may therefore need to be reevaluated as an alternative tool for microparticle analysis for the nuclear forensics community. This study presents the use of electron probe microanalysis for imaging and quantitative characterization of homogeneous microparticles utilizing a calibration curve based on high-precision quadrupole-inductively coupled plasma-mass spectrometry analyses. Samples of opportunity synthesized at Savannah River National Laboratory, nickel-doped cerium oxide microparticles, were selected as analogs for plutonium-doped uranium oxide microparticles. Positive detection and accurate quantification of variable amounts of nickel dopant down to trace levels (10s of parts per million) suggest applicability of this technique to other mixed element systems (e.g., actinides). Quantitative single-particle characterization via electron probe microanalyzer may thus provide a high fidelity, nondestructive complement to techniques currently in use.

Riche, Alexis T. (ORCID:0009000121978126)↗

DOE OSTI2025

Vertical column dual-comb spectroscopy to a TBS

Open-path dual-frequency-comb spectroscopy (DCS) is a broadband, high spectral resolution, and high precision method for measuring gas concentrations over kilometer-scale paths. It has been used for detection and quantification of emissions of pollutants, hazardous gasses, and greenhouse gasses (GHGs). DCS has been shown to measure trace-gas mixing ratios with 0.14%-0.4% agreement between instruments. To achieve high signal-to-noise ratios (SNRs) with DCS, comb light is targeted onto a retroreflector at the end of the measurement path, which returns the signal to a detector co-located with the launch signal. Installing the retroreflector on a mobile platform such as a balloon or unmanned aerial vehicle (UAV) extends the capabilities of DCS by enabling variable path lengths, greater mobility, and access to higher altitudes. Mobile-target DCS has many uses in plume and leak detection, emissions modeling, and planetary boundary layer (PBL) studies. It is a promising method for observing vertical distributions of GHGs and mixing processes in the PBL, which are difficult to measure but important for pollution and climate monitoring as well as for understanding transport of gasses through the atmosphere. Tethered balloons are an intriguing platform because they enable longer flight durations and higher altitudes than easily obtainable with a UAV and thus allow for column measurements up to and above the PBL. New measurements completed in October/November 2024 reach the highest altitudes above ground level yet achieved by mobile-target DCS. For these measurements, the retroreflector was mounted on a 7 m diameter tethered helium balloon. An actively tracking gimbal on the ground holds the DCS launch telescope and keeps the 5 cm beam pointed onto the retroreflector while the balloon is lifted, lowered, and moved by wind and turbulence.

atmosphere↗

NASA NTRS1979

Measurements to determine the location of the phase center of geoceiver antennas - Unofficial summary of results

In Doppler positioning systems, the basic method of point positioning involves a stable transmitted satellite signal received by a ground based antenna and receiver. This received frequency is mixed with a locally generated reference frequency, resulting in a beat frequency. A Doppler equation has been developed which includes all known contributions to this Doppler count. Upon measuring this count at the receiver and by using the precise orbital position of the transmitting satellite, the position of a receiver antenna can be calculated. However, for geodetic accuracy, it is assumed that the receiver antenna is stationary and has a predictable constant phase reference point. Thus, if a phase variation does exist, it may be misinterpreted as an added Doppler shift due to range change.

Larsen, R. K.↗

NASA NTRS2001

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

The ENTICE experiment is one of two instruments that make up the HNX mission. The experimental goal of ENTICE is to measure with high precision the elemental abundances of all nuclei with Z between 10 and 82. This will enable us to determine if the injection mechanism for the cosmic ray accelerator is controlled by FIP or Volatility 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 fiber hodoscope. We will describe the instrument and its performance based on beam tests of a prototype instrument.

Israel, M. H.↗

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 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↗