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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High-significance detection of correlation between the unresolved gamma-ray background and the large-scale cosmic structure

Our understanding of the γ-ray sky has improved dramatically in the past decade, however, the unresolved γ-ray background (UGRB) still has a potential wealth of information about the faintest γ-ray sources pervading the Universe. Statistical cross-correlations with tracers of cosmic structure can indirectly identify the populations that most characterize the γ-ray background. In this study, we analyze the angular correlation between the γ-ray background and the matter distribution in the Universe as traced by gravitational lensing, leveraging more than a decade of observations from the Fermi-Large Area Telescope (LAT) and 3 years of data from the Dark Energy Survey (DES). We detect a correlation at signal-to-noise ratio of 8.9. Most of the statistical significance comes from large scales, demonstrating, for the first time, that a substantial portion of the UGRB aligns with the mass clustering of the Universe as traced by weak lensing. Blazars provide a plausible explanation for this signal, especially if those contributing to the correlation reside in halos of large mass (∼ 10 14 M ⊙ ) and account for approximately 30–40% of the UGRB above 10 GeV. Additionally, we observe a preference for a curved γ-ray energy spectrum, with a log-parabolic shape being favored over a power-law. We also discuss the possibility of modifications to the blazar model and the inclusion of additional γ-ray sources, such as star-forming galaxies, misalinged active galactic nuclei, or particle dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

AGR 5/6/7 Data Qualification Report for ATR Cycles 162B through 168A

This report provides the qualification status of experimental data for the Advanced Gas Reactor (AGR) 5/6/7 fuel irradiation. AGR-5/6/7 was conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL) in support of development and qualification of tri-structural isotropic (TRISO) low-enriched fuel for use in high temperature gas-cooled reactors. The objectives of the AGR-5/6/7 experiments are to: (i) irradiate reference-design fuel particles to support fuel qualification, (ii) establish operating margins for the fuel beyond normal operating conditions, and (iii) provide irradiated-fuel performance data and irradiated-fuel samples for post-irradiation examination (PIE) and safety testing. The test train contains five separate capsules that were independently controlled and monitored. Each capsule contains multiple 12.51-mm-long compacts filled with low enriched uranium carbide/oxide (UCO) TRISO fuel particles. The primary objective of the AGR-5/6 test (Capsules 1, 2, 4, and 5) is to verify successful performance of the reference-design fuel under normal operating conditions. The AGR-7 test (Capsule 3) was designed to explore fuel performance at higher temperatures to demonstrate the capability of the fuel to withstand conditions beyond normal operating conditions in support of plant design and licensing. AGR 5/6/7 will also provide irradiated-fuel performance data on fission-gas release from failed particles during irradiation. The AGR-5/6/7 capsules were irradiated in the ATR northeast flux trap location. The experiment began on February 16, 2018 and ended on July 22, 2020, spanning nine ATR cycles over two and a half years. Thus, the AGR-5/6/7 fuel compacts were irradiated for a total of 360.9 effective full power days. The AGR 5/6/7 experiment was able to remain in the reactor core during all three Powered Axial Locator Mechanism (PALM) cycles (163A, 165A, and 167A) without overheating its fuel compacts. This report includes irradiation monitoring data from nine ATR Cycles: 162B, 163A, 164A, 164B, 165A, 166A, 166B, 167A, and 168A, as stored in the Nuclear Data Management and Analysis System (NDMAS). During irradiation, data records consisted of instantaneous measurements recorded every minute and provided by text files automatically every 2 hours. The AGR 5/6/7 data streams addressed in this report include thermocouple (TC) temperatures, sweep gas data (flow rates [capsule inlet, outlet, and downstream at detector], pressure, and moisture content), and Fission Product Monitoring System (FPMS) data (release rates and release to birth rate ratios [R/Bs]) for each of the five capsules. A total of 94,989,908 TC temperature and sweep gas data records were received and processed by NDMAS for AGR 5/6/7 irradiation. Of these records, 41,593,387 (or 43.7% of the total) met data collection and accuracy requirements and are labeled as Qualified. A total of 57,746,693 TC temperature readings were captured from 54 installed TCs. Among them, 10,034,676 TC temperature records (only 17.4%) were Qualified and 47,701,371 TC temperatures (or 82.6%) are Failed due to 48 TC failures (63.5%) and due to missing values (19.1%). To assess performance of the operational TCs, analysis of daily correlations between TCs found no evidence of virtual junction failure for any TCs. Analyses on control charts of TC temperature differences revealed trending in TC readings for TC2, 4, 5, and 13 in Capsule 3, but there is no conclusive indication of TC drift failure that caused those trends. Therefore, TC control charts are not used to disqualify TC data, but only for users’ consideration. For sweep gas flow rates, a total of 31,519,747 gas flow records (84.4%) are Qualified for use for AGR-5/6/7 experiment; 5,723,468 gas flow records (15.4%) are Failed due mostly to missing values; and 74,641 high sweep gas flow rates (0.2 %) are Trend. A large number of Failed missing TC temperature and gas flow values were caused by an error in the data output script that outputted a ‘NULL’ value when values were unchanged. This problem was fixed during the outage of Cycle 166B, which led to a substantially decreased number of missing values during the last three cycles. Nonetheless, a large amount of non-missing data remained because of the high data acquisition frequency (1-minute) and still provided sufficient data to effectively monitor the experiment as designed. For FPMS data, NDMAS received and processed fission product release and R/B data for nine ATR cycles, when ATR core reached full power during AGR 5/6/7 irradiation. These data consist of 110,388 release rate records and 110,388 R/B records for the twelve radionuclides (Kr 85m, Kr 87, Kr 88, Kr 89, Kr 90, Xe 131m, Xe 133, Xe 135, Xe 135m, Xe 137, Xe 138, and Xe 139) for each of the five capsules. Equivalent numbers of uncertainty records associated the release rates and R/B values were provided. To date, qualification status of the FPMS data stored in the NDMAS dat

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Interface capturing simulations of bubble population effects in PWR subchannels

As the computational power of high-performance computing (HPC) facilities grows, so too does the feasibility of using first principle based simulation to study turbulent two-phase flows within complex pressurized water reactor (PWR) geometries. Direct numerical simulation (DNS), integrated with an interface capturing method, allows for the collection of high-fidelity numerical data using advanced analysis techniques. The research presented here employs the massively parallel, finite-element based, unstructured mesh code, PHASTA, to simulate a set of two-phase bubbly flows through PWR subchannel geometries including auxiliary structures (spacer grids and mixing vanes). The main objective of the presented work is to analyze bubble dynamics and turbulence interactions at varying bubble concentrations to support the development of advanced two-phase flow closure models. Turbulent two-phase flows in PWR subchannels were simulated at hydraulic Reynolds numbers of 81,000 with bubble concentrations of 3%–15% by gas volume fraction (768–3928 resolved bubbles, respectively) and compared against a 1% void fraction case (262 bubbles) that had been previously simulated. The finite element mesh utilized for the study at higher bubble concentrations was composed of 1.55 billion elements, compared to the previous study which employed 1.11 billion elements, ensuring all turbulence scales and individual bubbles within the flow are fully resolved. For each case, the resolved initial bubble size was 0.65 mm in diameter (resolved with 25 grid points across the diameter). The simulations were analyzed to find flow features such as the mean velocity profile, bubble relative velocity and the effect of the bubbles on the turbulent conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

AGR-5/6/7 Ceramography Report

The Advanced Gas Reactor (AGR) Fuel Development and Qualification Program was established in 2002 to conduct research and development on tri-structural isotropic (TRISO)-coated particle fuel for High Temperature Gas-cooled Reactors (HTGRs). All AGR irradiations have been completed: AGR-1 (Collin 2015), AGR-2 (Collin 2014), AGR-3/4 (Collin 2016) and AGR-5/6/7 (Pham 2021). The objectives of each program are presented in Figure 1.1. The purpose of the AGR-5/6/7 program was to provide a baseline fuel qualification data set to support licensing, deployment, and operation of HTGRs in the United States. To achieve these goals, the program includes fuel fabrication, irradiations of TRISO fuels and high-temperature materials, safety testing and post-irradiation examination (PIE), fuel performance modeling, and fission product (FP) transport (Sharp 2020). The AGR-5/6/7 work continues as a final irradiation program of the Advanced Reactor Technologies (ART) program, that began in February 2018 and ended in July 2020. The AGR-5/6/7 fuel compacts were irradiated for a total of approximately 360.9 effective full power days (EFPDs) (Stempien 2023), resulting in final burn-up values, on a per-compact basis, ranging from 5.66% to 15.26% fissions per initial heavy metal atom (FIMA), and fast fluence values ranging from 1.62×1025 n/m2 to 5.55×1025 n/m2 (E >0.18 MeV) (Stempien 2022)

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Clinical Natural Language Processing for Radiation Oncology: A Review and Practical Primer

Natural language processing (NLP), which aims to convert human language into expressions that can be analyzed by computers, is one of the most rapidly developing and widely used technologies in the field of artificial intelligence. Natural language processing algorithms convert unstructured free text data into structured data that can be extracted and analyzed at scale. In medicine, this unlocking of the rich, expressive data within clinical free text in electronic medical records will help untap the full potential of big data for research and clinical purposes. Recent major NLP algorithmic advances have significantly improved the performance of these algorithms, leading to a surge in academic and industry interest in developing tools to automate information extraction and phenotyping from clinical texts. Thus, these technologies are poised to transform medical research and alter clinical practices in the future. Radiation oncology stands to benefit from NLP algorithms if they are appropriately developed and deployed, as they may enable advances such as automated inclusion of radiation therapy details into cancer registries, discovery of novel insights about cancer care, and improved patient data curation and presentation at the point of care. However, challenges remain before the full value of NLP is realized, such as the plethora of jargon specific to radiation oncology, nonstandard nomenclature, a lack of publicly available labeled data for model development, and interoperability limitations between radiation oncology data silos. Successful development and implementation of high quality and high value NLP models for radiation oncology will require close collaboration between computer scientists and the radiation oncology community. Here, we present a primer on artificial intelligence algorithms in general and NLP algorithms in particular; provide guidance on how to assess the performance of such algorithms; review prior research on NLP algorithms for oncology; and describe future avenues for NLP in radiation oncology research and clinics.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2026

A Comparison of Three Neodymium Atomic Data Sets for Kilonova Modeling

We examine the impact of input neodymium (Nd) atomic data on the light curves and spectra of kilonovae (KNe), probing the sensitivity of kilonova observables to the atomic physics of this important lanthanide element. We use the SuperNu Monte Carlo radiative transfer code, simulating a simple semianalytic 1D kilonova (KN) with a pure Nd atmosphere, fixing the radiative transfer method while using input atomic data generated by three different codes: the LANL suite of atomic physics codes, HULLAC, and Autostructure. We see that the choice of atomic data significantly shapes the resulting light curves and spectra. Peak bolometric luminosities differ by a ratio of nearly 1.5 between HULLAC/Autostructure and LANL data sets. Moreover, we observe significant near- to mid-IR differences in the structure of the spectra. We specifically attribute these differences to the choice of atomic data for neutral Nd I. Many of the results here have been adapted from a presentation at “Radiative Transfer and Atomic Physics of Kilonovae” in Stockholm, 2023. We additionally present a LANL data set with energies calibrated to available values in the NIST Atomic Spectra Database, and demonstrate that this calibration also significantly affects IR spectral structure at late time. The substantial differences in KN observables that arise from tuning the atomic data of just one lanthanide element highlight the special attention that must be paid to atomic physics uncertainties when modeling KNe, from AT2017gfo to beyond.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

High Performance Heat Pipe Power Transient Testing at SPHERE Facility

Microreactors are being researched, designed, and built at Idaho National Laboratory (INL). Microreactors are small reactors defined at less than 20MW of power. These reactor concepts are also being looked at throughout industry for various applications. An important aspect of these reactor designs is economic feasibility i.e. lower overnight capital cost. The driving factors for implementing microreactors are quick setup and takedown, minimal operators, and the ability to manufacture them readily and to fit in mid-sized containers for transport. A specific area of research to aid in successful integration of these factors within the designs is passive heat removal of the core’s thermal power. Interest in heat pipes to achieve this passive heat removal has been shown across multiple industry partners. Because of this interest, INL has developed a test facility to facilitate experimental tests for sodium filled heat pipes. INL has developed the Single Primary Heat Extraction and Removal Emulator (SPHERE) facility to run experiments on high performance, sodium filled heat pipes. As mentioned above, heat pipes are passive heat transfer devices. Radially, heat pipes are broken up into an outer wall, a small annular gap, a wick structure, and a centerline gap. They function by utilizing latent heat transfer. Heat pipes are traditionally separated into three regions, an evaporator (heat input), an adiabatic region, and finally a condenser region (heat removal). As heat is being applied to the evaporator, the working fluid undergoes a phase change to a vapor. This phase change causes a differential pressure across the axial length of the pipe driving flow down the center gap of the heat pipe. The vapor flows down past the adiabatic region to the condenser where the heat is removed. This heat removal forces the working fluid to phase change back to a liquid. The wick structure is then utilized to drive the flow back towards the evaporator by capillary forces. This backflow is aided by the annular gap. Because this heat transfer mechanism functions with latent heat transfer, the heat pipe is close to isothermal down the axial length. Heat pipes can operate under a wide range of working fluids. Considerations for these working fluids are primarily driven by operating temperatures amongst other important factors based around overall performance. Sodium filled heat pipes operate from 450°C up to 900°C. This temperature range works well for the current microreactor designs. In conjunction with this experimental capability, INL has developed a modeling software to simulate heat pipe physics within reactor cores. This modeling software is called Sockeye and functions under the established INL Multiphysics Object Oriented Simulation Environment (MOOSE). SPHERE also supports Sockeye development by providing the modeling team with experimental data on an array of setups and operating parameters to support validation efforts. A power transient experiment was performed utilizing the SPHERE facility to continue to aid with Sockeye development. The testing followed a proposed test plan to ramp up and down the temperature of the heat pipe. Sockeye models steady state heat pipe operation with high accuracy, the data provided by the power transient testing aims to assist with the validation efforts and further enhance transient modeling capability of the tool [2].

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Combining Astrometry and Elemental Abundances: The Case of the Candidate Pre-Gaia Halo Moving Groups G03-37, G18-39, and G21-22

While most moving groups are young and nearby, a small number have been identified in the Galactic halo. Understanding the origin and evolution of these groups is an important piece of reconstructing the formation history of the halo. Here we report on our analysis of three putative halo moving groups: G03-37, G18-39, and G21-22. Based on Gaia EDR3 data, the stars associated with each group show some scatter in velocity (e.g., Toomre diagram) and integrals of motion (energy, angular momentum) spaces, counter to expectations of moving-group stars. We choose the best candidate of the three groups, G21-22, for follow-up chemical analysis based on high-resolution spectroscopy of six presumptive members. Using a new Python code that uses a Bayesian method to self-consistently propagate uncertainties from stellar atmosphere solutions in calculating individual abundances and spectral synthesis, we derive the abundances of α- (Mg, Si, Ca, Ti), Fe-peak (Cr, Sc, Mn, Fe, Ni), odd-Z (Na, Al, V), and neutron-capture (Ba, Eu) elements for each star. We find that the G21-22 stars are not chemically homogeneous. Based on the kinematic analysis for all three groups and the chemical analysis for G21-22, we conclude the three are not genuine moving groups. The case for G21-22 demonstrates the benefit of combining kinematic and chemical information in identifying conatal populations when either alone may be insufficient. Comparing the integrals of motion and velocities of the six G21-22 stars with those of known structures in the halo, we tentatively associate them with the Gaia-Enceladus accretion event.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Natural Systems Data Package for the Active Trenches of the Low-Level Burial Grounds, Hanford Site, Washington

This document summarizes the available information regarding the natural system (vadose zone and saturated zone) at the active trenches of the 200 West Area and 200 East Area Low-Level Burial Grounds (LLBGs). This information is relevant for developing the natural system fate and transport model for the update of the active trenches performance assessment. This document presents a description of the major features, events, and processes of the natural system at the active trenches of the 200 West Area and 200 East Area LLBGs that involves the geologic features or framework, and the vadose zone and groundwater flow and transport system. The description of the geologic features includes the following items: geologic setting, major structural features, major hydrostratigraphic units, and geologic framework. The discussion concerning vadose zone flow and transport at the active trenches of the 200 West Area and 200 East Area LLBGs includes the following topics: vadose zone features, events, and processes relevant to the development of the vadose zone conceptual model; hydrogeologic units and conditions; factors affecting moisture movement; and flow and transport properties of major units. The discussion concerning the groundwater flow and transport system in the vicinity of the active trenches of the 200 West Area and 200 East Area LLBGs includes the following topics: saturated zone features, events, and processes relevant to the saturated zone conceptual model; hydrogeologic units; groundwater flow conditions; and flow and transport properties.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

X-ray absorption spectroscopic study of the alumina supported Fe and FeMo catalysts for methane dehydrogenation

Nanoscale Fe (5%Fe/Al 2 O 3 ) and FeMo (4.5%Fe-0.5%Mo/Al 2 O 3 ) catalysts are prepared by precipitating metal components onto alumina and then reducing in hydrogen at 700 °C for 2 hrs. Here, the catalysts are characterized before and after their exposures to methane at 700 °C, employing ex-situ X-ray absorption spectroscopy (XAS) and X-ray diffraction techniques. XAS data of the as-prepared catalysts shows that, iron precipitates onto alumina as 6L-ferrihydrite, and Mo is present as molybdate (Mo(VI)O 4 2- ). The molybdate, which binds the alumina in the as-prepared FeMo catalyst, is partially reduced to MoO 2 . The reduction of iron to metallic state is incomplete because the ferrous iron binds the alumina, forming hercynite. After several hrs of methane exposure to both the catalysts at 700 °C, a major Fe 3 C and a graphite phase are observed only in the FeMo catalyst. The observation confirms that the Mo promotes more iron to an active Fe metal, a part of that metal converts to Fe 3 C and austenite (Fe x C). Concurrently, the MoO 2 converts to Mo-oxycarbide (MoO x C y ), the latter then carburize to Mo 2 C in the FeMo catalyst. The Fe metal, Mo-oxycarbide and metal carbides are mainly responsible for the conversion of methane to H 2 and carbon. At reaction temperature > 900 °C, the Mo carbide particles agglomerate, and the excess carbon deposits on this agglomerate leading to catalyst deactivation. The deactivated catalyst is regenerated with CO 2 treatment at 1000 °C to restore its initial oxide structure.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

A NICER View of PSR J0030+0451: Millisecond Pulsar Parameter Estimation

Here, we report on Bayesian parameter estimation of the mass and equatorial radius of the millisecond pulsar PSR J0030+0451, conditional on pulse-profile modeling of Neutron Star Interior Composition Explorer X-ray spectral-timing event data. We perform relativistic ray-tracing of thermal emission from hot regions of the pulsar's surface. We assume two distinct hot regions based on two clear pulsed components in the phase-folded pulse-profile data; we explore a number of forms (morphologies and topologies) for each hot region, inferring their parameters in addition to the stellar mass and radius. For the family of models considered, the evidence (prior predictive probability of the data) strongly favors a model that permits both hot regions to be located in the same rotational hemisphere. Models wherein both hot regions are assumed to be simply connected circular single-temperature spots, in particular those where the spots are assumed to be reflection-symmetric with respect to the stellar origin, are strongly disfavored. For the inferred configuration, one hot region subtends an angular extent of only a few degrees (in spherical coordinates with origin at the stellar center) and we are insensitive to other structural details; the second hot region is far more azimuthally extended in the form of a narrow arc, thus requiring a larger number of parameters to describe. The inferred mass M and equatorial radius R eq are, respectively, ${1.34}_{-0.16}^{+0.15}\,{M}_{\odot }$ and ${12.71}_{-1.19}^{+1.14}\,\mathrm{km}$, while the compactness ${GM}/{R}_{\mathrm{eq}}{c}^{2}={0.156}_{-0.010}^{+0.008}$ is more tightly constrained; the credible interval bounds reported here are approximately the 16% and 84% quantiles in marginal posterior mass.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Robotic Assisted Non-Destructive Testing (NDT)

Mission Statement: Concrete wall characterization for structural integrity evaluation of H-Canyon exhaust tunnel using a remote controlled robotic arm with a NDT Concrete Instrument. Challenges: Rough and Curved Surfaces, Remote location. The UR5 is a collaborative robotic arm capable of: Payload: 11 lbs (5 kg), Reach: 33.5 in (850 mm), Footprint: 5.87 in (149 mm) diameter, Weight: 45.4 Ibs (20.6 kg). The force torque sensor reacts to a set value inputted by the user that can be utilized for sensitive products. This allows the UR5 to react to surfaces using the built-in function to search for a wall and orient itself normal to that plane. The Proceq Pundit 250 array is a nondestructive device that the user applies against a concrete wall and scans using ultrasonic transducers. The back wall and other defects can be show through the touchscreen. A fixture to hold the Proceq Pundit 250 array onto the UR5 robotic arm was designed and 3D printed. It includes openings for easy access to the buttons from the Pundit array as well as a reinforced structural design. The scan from the Pundit array can show the back-wall, rebars, and other defects to assist in determining the structural integrity. In order to scan, a program was made to search for the wall first. 1. The UR5 robotic arm will go to the desired location away from the wall. 2. It will then search for the wall by moving towards it slowly. 3. After contact, the force applied will slowly but steadily increase to a preset value inputted by the user. 4. The force torque sensor will use those values and communicate with the UR5 by adjusting the arm to become normal to the wall. 5. The arm will then apply force to push back the transducers on the Pundit array to avoid gaps. 6. It will then prompt the user to collect data and wait until finished. The UR5 teach pendant allows the user to program the robot to perform automated and repeatable tasks. It includes a free drive mode which allows the user to move the arm to a desired position by hand. The user can also apply restricted planes which include either stopped or slower motion to ensure safety. The concrete sample being tested includes rebars and different grades of surface roughness to understand the readings from the Proceq Pundit 250 array. Desired concrete samples are currently being fabricated that will simulate the terrain being tested.

3D PRINTING↗
DOE OSTI2023

Adjoint Waveform Tomography for Crustal and Upper Mantle Structure the Middle East and Southwest Asia for Improved Waveform Simulations Using Openly Available Broadband Data

We present a new model of radially anisotropic seismic wavespeeds for the crust and upper mantle of a broad region of the Middle East and Southwest Asia (MESWA) derived from adjoint waveform tomography. We inverted waveforms from 192 Global Centroid Moment Tensor earthquakes (MW 5.5-7.0) recorded by over 1000 openly available broadband seismic stations from permanent and temporary networks in the region. Spatial coverage of the available data is highly uneven due to earthquakes clustered along plate boundaries and sparse coverage of open seismic networks in the region. We considered three possible starting models: the SPiRaL global model (Simmons et al., 2021); MEC-1 (Kaviani et al., 2020); and CSEM2.0 (Noe et al., 2023). Because the SPiRaL model provides good fits to the observed waveforms measured by the time-bandwidth product of selected windows in several period bands, provides all the necessary parameters and covers the entire domain we used it for the starting model with the period band 50-100 seconds. Inversion iterations proceeded using time-frequency phase misfits in six stages and 54 total iterations reducing the minimum period to 30 seconds. Our final model, MESWA, provides improved waveform fits compared to the starting model for both the data used in the inversion and an independent validation data set of 66 events. Two metrics of waveform fit (the time-frequency phase misfit used in the optimization and normalized L2 misfit) were both reduced by nearly 60% for both data sets and MESWA provides significantly larger misfit reductions relative to the SPiRaL model than the MEC-1 or CSEM models. We also find that MESWA provides a larger time-bandwidth product of selected windows indicating that more information content of the observed waveforms is explained by MESWA than the other models. Our new model reveals tectonic features imaged by other studies and methods but in a new holistic model of shear and compressional wavespeeds (v S and v P , respectively) with anisotropy covering the crust and uppermost mantle of a larger domain. MESWA has smaller scale-length features and tends to sharpen some features relative to the SPiRaL starting model. Examples include: low crustal v S in the TurkishIranian Plateau, Zagros Mountains, Afghan Central Blocks and Sulaiman Fold Belt; low mantle vSfollowing divergent (Gulf of Aden, Red Sea) and transform (Dead Sea Fault) margins of the Arabian Plate; low and high v S in the mantle beneath the Arabian Shield and Platform, respectively. Low vS is imaged below Cenozoic volcanic centers of the Arabian Peninsula, the so-called Mecca-Madina-Nafud (MMN) Line. Positive anisotropy (v SH > v SV ) is inferred for asthenospheric depths across the region except where up/downwelling may influence fabric alignment (e.g. Afar, Red Sea, Arabian Shield). Elevated vS tracks Makran subduction under southeast Iran. MESWA resembles the SPiRaL model in its long-wavelength structure, but enhances shorter wavelengths features on the order of 200 km and smaller. The resulting model could be used for as a starting model for further improvements, say using waveforms from in-country seismic networks that are not openly available or smaller-scale studies targeting shorter period waveforms. The model also could be used for source characterization and moment tensor inversion to improve earthquake hazard studies and nuclear explosion monitoring.

58 GEOSCIENCES↗
DOE OSTI2024

Two-dimensional heteronuclear single quantum coherence (HSQC) NMR spectra of lignin isolated from Populus trichocarpa residues after CELF pretreatment and CBP fermentation

Here we present a curated dataset of a series of two-dimensional heteronuclear single quantum coherence (HSQC) nuclear magnetic resonance (NMR) spectra of lignin isolated from a woody energy crop (Populus trichocarpa) residues after co-solvent enhanced lignocellulosic fractionation (CELF) pretreatment and consolidated bioprocessing (CBP) process. The natural poplar variant GW-9947 from the Center for Bioenergy Innovation (CBI) was used. The poplar was knife milled and passed through a 1 mm sieve. The CELF pretreatment was performed in a Parr autoclave reactor with 7.5 wt % solids loading, 0.5 wt% H2SO4 as catalyst at 150°C with 15, 25 and 30 minutes, respectively. Tetrahydrofuran was added in a 1:1 mass ratio with water as the pretreatment solvent. The residues from CELF pretreatment were then subjected to CBP using the bacterium C. thermocellum DSM 1313. CBP fermentations were performed at 60 °C in a shaker at 50 grams/L solids loadings. Lignin was isolated from the pretreated samples after ball-milling in a porcelain jar with ceramic balls via Retsch PM 200 at 580 rpm for 2.5 h followed by enzymatic hydrolysis in acetate buffer (pH 4.8, 50 °C) for 48 h. The lignin samples were characterized using 13C–1H HSQC experiments which were performed in a Bruker Avance III HD 500 MHz NMR spectrometer operating at a frequency of 125.12 MHz for the 13C nucleus. A standard Bruker pulse sequence was used on a Prodigy platform cryoprobe. The dry lignin samples were dissolved in deuterated dimethylsulfoxide for HSQC experiments. The spectra were acquired under the following acquisition conditions: 210 ppm spectral width in F1 (13C) dimension with 256 data points and 11 ppm spectral width in F2 (1H) dimension with 1024 data points, a 90° pulse, a one bond C–H coupling constant of 145 Hz, a 1.0 s pulse delay, and 64 scans. All the data was processed using the TopSpin 3.6 software (Bruker BioSpin). The NMR spectra provides structural characteristics information about lignin remaining in solids after CELF (150 °C with 15, 25 and 30 minutes) process and C. thermocellum CBP.

Lignin structure, HSQC, poplar, CELF, CBP, CBI↗
DOE OSTI2021

Hydroxyl radical mediated damage of proteins in low oxygen solution investigated using X-ray footprinting mass spectrometry

In the method of X-ray footprinting mass spectrometry (XFMS), proteins at micromolar concentration in solution are irradiated with a broadband X-ray source, and the resulting hydroxyl radical modifications are characterized using liquid chromatography mass spectrometry to determine sites of solvent accessibility. These data are used to infer structural changes in proteins upon interaction with other proteins, folding, or ligand binding. XFMS is typically performed under aerobic conditions; dissolved molecular oxygen in solution is necessary in many, if not all, the hydroxyl radical modifications that are generally reported. In this study we investigated the result of X-ray induced modifications to three different proteins under aerobic versus low oxygen conditions, and correlated the extent of damage with dose calculations. We observed a concentration-dependent protecting effect at higher protein concentration for a given X-ray dose. For the typical doses used in XFMS experiments there was minimal X-ray induced aggregation and fragmentation, but for higher doses we observed formation of covalent higher molecular weight oligomers, as well as fragmentation, which was affected by the amount of dissolved oxygen in solution. The higher molecular weight products in the form of dimers, trimers, and tetramers were present in all sample preparations, and, upon X-ray irradiation, these oligomers became non-reducible as seen in SDS-PAGE. The results provide an important contribution to the large body of X-ray radiation damage literature in structural biology research, and will specifically help inform the future planning of XFMS, and well as X-ray crystallography and small-angle X-ray scattering experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Structure of even-even Sr isotopes with 50 ≤ N ≤ 58 neutrons

Excited levels in Sr 90 , Sr 92 , Sr 94 , and Sr 96 nuclei were reinvestigated using high-statistics multiple- γ coincidence data from neutron-induced fission of U 235 and spontaneous fission of Cf 252 , measured using Exogam at Institut Laue Langevin and Gammasphere arrays, respectively. The experimental goal was the search for new excited levels and firm spin-parity assignments to known levels. A total of 23 new levels with 30 new or corrected decays and 39 new or improved spin-parity assignments were obtained in the four nuclei. Negative-parity structures on top of 3 - excitation were firmly identified and extended to higher spins. New positive-parity structures in Sr 94 and Sr 96 were observed with 3 + excitations characteristic of γ collectivity. The 277.7-keV, E 2 decay from the 1507.0-keV level to the second 0 + level in Sr 96 , found in this paper, completes the coexisting deformed band in this nucleus. To learn about the microscopic structure of levels in the Sr 88 - 96 nuclei, we performed large-scale shell-model calculations. The calculations compared to the experiment, helped the discussion of the evolution of collectivity in strontium isotopes, highlighting the important role of various single-particle excitations in phase transitions and shape coexistence in the region. The special role of the neutron 9 / 2 + [ 404 ] extruder as a catalyst of the deformation change in the region is highlighted.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

RU-net for automatic characterization of TRISO fuel cross sections

During irradiation, phenomena such as kernel swelling and buffer densification may impact the performance of tristructural isotropic (TRISO) particle fuel. Post-irradiation microscopy is often used to identify these irradiation-induced morphologic changes. However, each fuel compact generally contains thousands of TRISO particles. Manually performing the work to get statistical information on these phenomena is cumbersome and subjective. Here, to reduce the subjectivity inherent in that process and to accelerate data analysis, we used convolutional neural networks (CNNs) to automatically segment cross-sectional images of microscopic TRISO layers. CNNs are a class of machine-learning algorithms specifically designed for processing structured grid data. They have gained popularity in recent years due to their remarkable performance in various computer vision tasks, including image classification, object detection, and image segmentation. In this research, we generated a large irradiated TRISO layer dataset with more than 2,000 microscopic images of cross-sectional TRISO particles and the corresponding annotated images. Based on these annotated images, we used different CNNs to automatically segment different TRISO layers. These CNNs include RU-Net (developed in this study), as well as three existing architectures: U-Net, Residual Network (ResNet), and Attention U-Net. The preliminary results show that the model based on RU-Net performs best in terms of Intersection over Union (IoU). Using CNN models, we can expedite the analysis of TRISO particle cross sections, significantly reducing the manual labor involved and improving the objectivity of the segmentation results.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Speciation mapping of the oxidation layer on aged uranium dioxide using scanning transmission x-ray spectromicroscopy

In this study, UO 2 was aged in humid air and prepared as a thin section using a focused ion beam (FIB) instrument. The specimen was measured using synchrotron radiation spectromicroscopy techniques at the Beamline 11.0.2 STXM end station of the Advanced Light Source (ALS). Non-negative matrix factorization (NMF) methods were used to identify and map three component x-ray absorption near-edge structure (XANES) spectra in the oxygen K-edge data, revealing a surface layer of U 4 O 9 with a thickness of 206 ± 21 nm, and the bulk of the sample remaining as UO 2 . Uranium N 4,5 -edge XANES spectromicroscopy supports these results. The diffusion-controlled parabolic rate constant for UO 2 oxidation to U 4 O 9 was calculated from the observed layer thickness and compared to literature values. Complementary transmission electron microscopy (TEM) was used to image the sample and identify the phases present in various regions, confirming the STXM results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗