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Knowledge-guided graph machine learning for spatially distributed prediction of daily discharge and nitrogen export dynamics

Spatially distributed prediction of streamflow and nitrogen export dynamics is essential for precision management of agricultural watersheds. While temporal deep learning models such as Long Short-Term Memory (LSTM) have shown strong performance at basin scales, their ability to generalize spatially is limited by insufficient representation of spatial dependencies and flow paths, particularly under data-scarce conditions. To address this gap, we propose HydroGraphNet, a knowledge-guided graph machine learning framework that integrates process-based knowledge and explicit spatial learning into temporal modeling. This framework incorporates directed graph topology to encode watershed connectivity and upstream inflows, with mass balance constraints to improve physical consistency. To enhance generalization in sparsely monitored regions, HydroGraphNet is pretrained on synthetic data generated by the SWAT+ (Soil and Water Assessment Tool Plus) model. We evaluated HydroGraphNet in the Upper Sangamon River Basin (44 HUC-12 subwatersheds, 2001–2020) against two LSTM baselines: a lumped basin-level model and a distributed variant. When benchmarked on SWAT+ simulations in pretraining, HydroGraphNet improved test NSEs by 8.9% (discharge) and 13.7% (NO₃–N load) in temporal extrapolation, and by 27.1% and 34.7% in spatial extrapolation, relative to the Lumped LSTM baseline. After fine-tuning with USGS monitoring data, the model achieved mean test NSE (KGE) scores of 0.768 (0.861) for discharge and 0.626 (0.664) for NO₃–N load, substantially outperforming baselines. Attribution analysis further highlighted the importance of upstream inflow representation and graph-based spatial learning in capturing cross-subwatershed dependencies. The model also reproduced seasonal hydrological and biogeochemical patterns consistent with known processes, demonstrating its robustness and process fidelity for spatially distributed prediction. Altogether, HydroGraphNet advances the integration of physical knowledge and spatially explicit learning in hydrological modeling, offering a generalizable framework for distributed modeling to support spatially targeted water quality management in data-scarce watersheds.

54 ENVIRONMENTAL SCIENCES↗

Effect of Anoxic Iron Corrosion on WIPP Brine Geochemistry FY23 Final Report (U)

A 280-day study was completed to evaluate the effect of zero-valent iron (Fe 0 ) on the Waste Isolation Pilot Plant (WIPP) brine geochemistry under anticipated reducing conditions. Hydrogen (H 2 ) gas is expected to be present in the repository after closure due to the anoxic corrosion of a vast quantity of iron contained in the waste forms disposed at WIPP; therefore, a background argon atmosphere containing H 2 was chosen for this study. WIPP groundwater brine pH and E h will impact the mobility and fate of plutonium within the repository. Modeling and laboratory results for Castile WIPP brine indicate that equilibrium E h values relative to the standard hydrogen electrode (SHE) are 40 mV more reducing (i.e., more negative) than those for Salado WIPP brine (-480 mV vs. -440 mV, respectively) because of the higher pH of the Castile brine (pH 9.3 for Castile vs. pH 8.8 for Salado). The E h and pH data were corrected for the effects of high ionic strength. The experimental results for both brines are consistent with thermodynamic predictions using OLI Systems' Mixed Solvent Electrolyte chemical equilibrium model. The measured and corrected pH and E h data from this study are provided in Table ES-1 and Table ES-2, respectively.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Standardizing Platinum Dainotti-correlated gamma-ray bursts, and using them with standardized Amati-correlated gamma-ray bursts to constrain cosmological model parameters

ABSTRACT We show that the Platinum gamma-ray burst (GRB) data compilation, probing the redshift range 0.553 ≤ z ≤ 5.0, obeys a cosmological-model-independent three-parameter Fundamental Plane (Dainotti) correlation and so is standardizable. While they probe the largely unexplored z ∼ 2.3–5 part of cosmological redshift space, the GRB cosmological parameter constraints are consistent with, but less precise than, those from a combination of baryon acoustic oscillation (BAO) and Hubble parameter [H(z)] data. In order to increase the precision of GRB-only cosmological constraints, we exclude common GRBs from the larger Amati-correlated A118 data set composed of 118 GRBs and jointly analyse the remaining 101 Amati-correlated GRBs with the 50 Platinum GRBs. This joint 151 GRB data set probes the largely unexplored z ∼ 2.3–8.2 region; the resulting GRB-only cosmological constraints are more restrictive, and consistent with, but less precise than, those from H(z) + BAO data.

79 ASTRONOMY AND ASTROPHYSICS↗

Analysis of Σ* via isospin selective reaction 𝐾 𝐿 ⁢𝑝 →𝜋 + ⁢Σ 0

The isospin-selective reaction 𝐾 𝐿 ⁢𝑝 →𝜋 + ⁢Σ 0 provides a clean probe for investigating 𝐼 =1 Σ* resonances. In this work, we perform an analysis of this reaction using an effective Lagrangian approach for the first time, incorporating the well-established Σ⁡(1189)⁢1/2 + , Σ⁡(1385)⁢3/2 + , Σ⁡(1670)⁢3/2 − , and Σ⁡(1775)⁢5/2 − states, while also exploring contributions from other unestablished states. By fitting the available differential cross-section and recoil polarization data, adhering to partial-wave phase conventions same as the Particle Data Group, we find that besides the established resonances, contributions from Σ⁡(1660)⁢1/2 + , Σ⁡(1580)⁢3/2 − , and a Σ*⁢(1/2 − ) improve the description. Notably, a Σ*⁢(1/2 − ) resonance with mass around 1.54 GeV, consistent with Σ⁡(1620)⁢1/2 − , is found to be essential for describing the data in this channel, a stronger indication than found in previous analyses focusing on 𝜋⁢Λ final states. While providing complementary support for Σ⁡(1660)⁢1/2 + and Σ⁡(1580)⁢3/2 − , our results highlight the importance of the Σ⁡(1620)⁢1/2 − region in 𝐾 𝐿 ⁢𝑝 →𝜋 + ⁢Σ 0 . Future high-precision measurements are needed to solidify these findings and further constrain the Σ* spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A General Framework for Error-controlled Unstructured Scientific Data Compression

Data compression plays a key role in reducing storage and I/O costs. Traditional lossy methods primarily target data on rectilinear grids and cannot leverage the spatial coherence in unstructured mesh data, leading to suboptimal compression ratios. We present a multi-component, error-bounded compression framework designed to enhance the compression of floating-point unstructured mesh data, which is common in scientific applications. Our approach involves interpolating mesh data onto a rectilinear grid and then separately compressing the grid interpolation and the interpolation residuals. This method is general, independent of mesh types and typologies, and can be seamlessly integrated with existing lossy compressors for improved performance. We evaluated our framework across twelve variables from two synthetic datasets and two real-world simulation datasets. The results indicate that the multi-component framework consistently outperforms state-of-the-art lossy compressors on unstructured data, achieving, on average, a 2.3 − 3.5× improvement in compression ratios, with error bounds ranging from 1 × 10 the −6 to 1×10−2. We further investigate impact of hyperparameters, such as grid spacing and error allocation, to deliver optimal compression ratios in diverse datasets.

Gong, Qian↗

The history of metal enrichment traced by X-ray observations of high-redshift galaxy clusters

ABSTRACT We present the analysis of deep X-ray observations of 10 massive galaxy clusters at redshifts 1.05 < z < 1.71, with the primary goal of measuring the metallicity of the intracluster medium (ICM) at intermediate radii, to better constrain models of the metal enrichment of the intergalactic medium. The targets were selected from X-ray and Sunyaev–Zel’dovich effect surveys, and observed with both the XMM–Newton and Chandra satellites. For each cluster, a precise gas mass profile was extracted, from which the value of r500 could be estimated. This allows us to define consistent radial ranges over which the metallicity measurements can be compared. In general, the data are of sufficient quality to extract meaningful metallicity measurements in two radial bins, r < 0.3r500 and 0.3 < r/r500 < 1.0. For the outer bin, the combined measurement for all 10 clusters, Z/Z⊙ = 0.21 ± 0.09, represents a substantial improvement in precision over previous results. This measurement is consistent with, but slightly lower than, the average metallicity of 0.315 solar measured at intermediate-to-large radii in low-redshift clusters. Combining our new high-redshift data with the previous low-redshift results allows us to place the tightest constraints to date on models of the evolution of cluster metallicity at intermediate radii. Adopting a power-law model of the form Z ∝ (1 + z)γ, we measure a slope $\gamma = -0.5^{+0.4}_{-0.3}$, consistent with the majority of the enrichment of the ICM having occurred at very early times and before massive clusters formed, but leaving open the possibility that some additional enrichment in these regions may have occurred since a redshift of 2.

79 ASTRONOMY AND ASTROPHYSICS↗

OPEN leaf : an open‐source cloud‐based phenotyping system for tracking dynamic changes at leaf‐specific resolution in Arabidopsis

SUMMARY The first draft of the Arabidopsis genome was released more than 20 years ago and despite intensive molecular research, more than 30% of Arabidopsis genes remained uncharacterized or without an assigned function. This is in part due to gene redundancy within gene families or the essential nature of genes, where their deletion results in lethality (i.e., thedark genome). High‐throughput plant phenotyping (HTPP) offers an automated and unbiased approach to characterize subtle or transient phenotypes resulting from gene redundancy or inducible gene silencing; however, access to commercial HTPP platforms remains limited. Here we describe the design and implementation ofOPEN leaf, an open‐source phenotyping system with cloud connectivity and remote bilateral communication to facilitate data collection, sharing and processing.OPEN leaf, coupled with our SMART imaging processing pipeline was able to consistently document and quantify dynamic changes at the whole rosette level and leaf‐specific resolution when plants experienced changes in nutrient availability. Our data also demonstrate that VIS sensors remain underutilized and can be used in high‐throughput screens to identify and characterize previously unidentified phenotypes in a leaf‐specific time‐dependent manner. Moreover, the modular and open‐source design ofOPEN leafallows seamless integration of additional sensors based on users and experimental needs.

Plant Sciences↗

Dose Rate Analysis of the WCS Consolidated Interim Storage Facility

This report describes a confirmatory calculation for a proposed consolidated interim storage facility (CISF) to support the US Nuclear Regulatory Commission’s review of the license application submitted by the Interim Storage Partners. The scope of this report is limited to an assessment of the annual dose from direct radiation associated with Phase 1 of the Waste Control Specialists (WCS) CISF and the determination of the minimum controlled area boundary based on the 10 CFR 72.104 limit of 25 mrem annual dose to the whole body. The confirmatory dose rate calculations used the source term and shielding calculation capabilities of the SCALE 6.2.3 computer code system. The calculation method employed in the confirmatory calculations uses a detailed Monte Carlo radiation transport simulation from source to dose rate. This method differs from the two-step method used in the safety analysis report (SAR), which requires determination of the photon and neutron energy and angular distributions on the cask external surface and then the use of this surface source in a new radiation transport calculation to determine dose rate as a function of distance from the storage facility. A simulation was made using the complete site geometry (all casks present) but with only one cask containing source, and a total of 467 independent calculations were performed to obtain the dose rate maps produced by each storage cask. Basic input data and assumptions used in the SAR (e.g., cask design parameters and design basis assembly characteristics) were used in this confirmatory calculation for consistency with the SAR. Local atmospheric conditions for skyshine calculations were simulated using US standard atmosphere data, which describe average air temperature, pressure, and density as a function of altitude. The determined minimum required distances from the WCS Phase 1 CISF to a contour defined by the 25 mrem annual dose limit were approximately 623 m (0.387 miles) in the N-NE direction, 594 m (0.369 miles) in the SSW direction, and 533 m (0.331 miles) in the E-SE direction and the W-NW direction. The annual dose results of the confirmatory calculation are in relatively good agreement with the annual dose values presented in the WCS SAR. The annual dose produced by the Phase 1 CISF at the nearest site boundary, 0.75 miles away from the CISF, was estimated by this study to be approximately 6.02E-02 ± 2.0E-04 mrem, which is significantly smaller than the 25 mrem annual dose limit provided in 10 CFR 72.104. The SAR annual dose rate value for the nearest site boundary was 7.52E-2 mrem, which included 7.73E-03 mrem due to postulated leakage of the FO-, FC-, and FF-canisters. A comparison with the dose rate values reported in the SAR for 16 detector locations, D1 through D16, on the protected area boundary is also included in this report. This comparison shows that the SAR determined higher annual dose values for detectors D1 through D14 by 12% to 45% and lower annual dose values for detectors D15 and D16 by 18% and 8%, respectively, as compared with this ORNL confirmatory calculation. Sensitivity studies have been performed to support a comprehensive review of the application. In these studies, the effects on dose rate of the modeled air volume, density, and humidity were analyzed. The sensitivity calculations showed that the air volume used in the Monte Carlo simulations was adequate and that a larger air volume would not further increase the dose rate due to skyshine contributions. The sensitivity analysis showed that simulation of local atmospheric conditions is important for the accuracy of dose rate estimates at large distances from the facility. Air humidity was demonstrated to have negligible effects on dose rate values for the simulated local atmospheric conditions.

61 RADIATION PROTECTION AND DOSIMETRY↗

DISTRIBUTION OF ION-EXCHANGEABLE RARE EARTH ELEMENTS AND CRITICAL MINERALS IN COAL-HOSTED CLAYS OF THE POWDER RIVER BASIN, WY

Increasing demand for a more robust domestic supply of rare earth elements (REE) and critical minerals (CM) has led to significant investigation into unconventional sources. Coal and coal byproducts from the Powder River Basin (PRB) of Wyoming are potential sources of REE but lack complete characterization of mineral hosts including ion-adsorption clays (IACs). IACs, which provide a substantial portion of the global REE supply, form when hydrated REE complexes are physiosorbed to negatively charged sites on clay surfaces. Typical IAC minerals include kaolinite, illite, and smectite. REE complexes are easily leached from IACs via ion exchange, making them economically attractive. However, research regarding the partitioning behaviors of strategic metals into PRB coal-hosted clays is limited. This project aims to quantify the modes of occurrence and distribution of REE and CM in clay minerals derived from PRB coals. Strategic metals investigated in this project have historic production or promising deposits within the PRB and/or high anticipated supply risk, and include: REE (lanthanides and Y), V, Ti, platinum group elements (PGE; Pt, Pd, Rh, Ru, Ir, Os), Al, Co, Ga, Zr, and W. Semi-quantitative compositional data from portable x-ray fluorescence spectroscopy (pXRF) on coal core from the PRB is consistent with the known correlation between REE and Al content, suggesting increased REE abundance will be found in clay-rich units. pXRF data also identifies elevated V, Ti, Co, and Zr correlated with Al. Preliminary x-ray diffraction (XRD) data indicates kaolinite, illite, and dickite are abundant minerals in overburden and clay-rich partings. Quantitative analysis via inductively coupled plasma mass spectrometry (ICP-MS) provides insights into REE and CM fractionation in coals as we compare trace metal occurrence to variations in mineralogy. Additionally, we apply scanning electron microscopy (SEM) and energy dispersive x-ray spectroscopy (EDS) data to correlate clay size and morphology to trace metal occurrence. Our findings supplement a broader effort to couple REE and CM extraction with existing domestic coal production and contribute to the fundamental understanding of adsorption processes that occur in low-temperature basin environments.

Stuart, Sophia↗

Characterizing Families of Spectral Similarity Scores and Their Use Cases for Gas Chromatography–Mass Spectrometry Small Molecule Identification

Metabolomics provides a unique snapshot into the world of small molecules and the complex biological processes that govern the human, animal, plant, and environmental ecosystems encapsulated by the One Health modeling framework. However, this “molecular snapshot” is only as informative as the number of metabolites confidently identified within it. The spectral similarity (SS) score is traditionally used to identify compound(s) in mass spectrometry approaches to metabolomics, where spectra are matched to reference libraries of candidate spectra. Unfortunately, there is little consensus on which of the dozens of available SS metrics should be used. This lack of standard SS score creates analytic uncertainty and potentially leads to issues in reproducibility, especially as these data are integrated across other domains. In this work, we use metabolomic spectral similarity as a case study to showcase the challenges in consistency within just one piece of the One Health framework that must be addressed to enable data science approaches for One Health problems. Here, using a large cohort of datasets comprising both standard and complex datasets with expert-verified truth annotations, we evaluated the effectiveness of 66 similarity metrics to delineate between correct matches (true positives) and incorrect matches (true negatives). We additionally characterize the families of these metrics to make informed recommendations for their use. Our results indicate that specific families of metrics (the Inner Product, Correlative, and Intersection families of scores) tend to perform better than others, with no single similarity metric performing optimally for all queried spectra. This work and its findings provide an empirically-based resource for researchers to use in their selection of similarity metrics for GC-MS identification, increasing scientific reproducibility through taking steps towards standardizing identification workflows.

59 BASIC BIOLOGICAL SCIENCES↗

Aspen Open Jets: unlocking LHC data for foundation models in particle physics

Foundation models are deep learning models pre-trained on large amounts of data which are capable of generalizing to multiple datasets and/or downstream tasks. This work demonstrates how data collected by the CMS experiment at the Large Hadron Collider can be useful in pre-training foundation models for HEP. Specifically, we introduce the AspenOpenJets (AOJs) dataset, consisting of approximately 178 M high p T jets derived from CMS 2016 Open Data. We show how pre-training the OmniJet-α foundation model on AOJs improves performance on generative tasks with significant domain shift: generating boosted top and QCD jets from the simulated JetClass dataset. In addition to demonstrating the power of pre-training of a jet-based foundation model on actual proton–proton collision data, we provide the ML-ready derived AOJs dataset for further public use.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Performance and Reliability Assessment of the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Data Advisor (ADA)

The Atmospheric Radiation Measurement (ARM) User Facility provides one of the world's largest openly accessible repositories of atmospheric observations through the ARM Data Discovery platform. Although the repository contains more than three decades of measurements collected from permanent observatories, mobile facilities, aircraft campaigns, and field experiments, identifying appropriate datasets can be challenging, particularly for new users unfamiliar with ARM instrumentation and datastream organization. To improve data accessibility, the ARM Data Center developed the ARM Data Advisor (ADA), an artificial intelligence-powered assistant designed to facilitate scientific data discovery, dataset interpretation, and user guidance. This report evaluates ADA's performance as a domain-specific scientific assistant using realistic atmospheric science workflows. The evaluation examines five key capabilities: data retrieval and curation efficiency, hallucination resistance, scientific reasoning, response to ambiguous queries, and content retention and session continuity. Representative prompts were developed to simulate typical interactions between researchers and the ARM Data Discovery platform, and ADA's responses were assessed for retrieval completeness, scientific accuracy, consistency, and practical usefulness. In these representative tests, ADA reduced the complexity of discovering and accessing ARM datasets by recommending appropriate datastreams, explaining instrumentation, interpreting metadata, and assisting with data processing workflows. ADA also exhibits strong domain knowledge of atmospheric science terminology and generally resists hallucination by acknowledging unavailable datasets and requesting clarification when appropriate. Overall, the results indicate that ADA represents a promising advancement in scientific data discovery within the ARM User Facility and has considerable potential to improve researcher productivity, particularly for new users and interdisciplinary scientists seeking efficient access to ARM observations.

Salvador, Christian [ORNL] (ORCID:0000000283287777↗

Grassmannian Shape Representations for Aerodynamic Applications: Preprint

Airfoil shape design is a classical problem in engineering, science, and manufacturing. Our motivation is to combine principled physics-based considerations for the shape design problem with modern computational techniques informed by a data-driven approach. Traditional analyses of airfoil shapes emphasize a flow-based sensitivity to deformations which can be represented generally by affine transformations (rotation, scaling, shearing, shifting). We present a novel representation of shapes which decouples affine-style deformations from a rich set of data-driven deformations over a submanifold of the Grassmannian. The Grassmannian representation, informed by a database of physically relevant airfoils, offers (i) a rich set of novel 2D airfoil deformations not previously captured in the data, (ii) improved low-dimensional parameter domain for inferential statistics, and (iii) consistent 3D blade representation and perturbation over a sequence of nominal shapes.

blade representation↗

Planck 2018 results. VI. Cosmological parameters

In this paper, we present cosmological parameter results from the final full-mission Planck measurements of the cosmic microwave background (CMB) anisotropies, combining information from the temperature and polarization maps and the lensing reconstruction. Compared to the 2015 results, improved measurements of large-scale polarization allow the reionization optical depth to be measured with higher precision, leading to significant gains in the precision of other correlated parameters. Improved modelling of the small-scale polarization leads to more robust constraints on many parameters, with residual modelling uncertainties estimated to affect them only at the 0.5 σ level. We find good consistency with the standard spatially-flat 6-parameter ΛCDM cosmology having a power-law spectrum of adiabatic scalar perturbations (denoted “base ΛCDM” in this paper), from polarization, temperature, and lensing, separately and in combination. A combined analysis gives dark matter density Ω c h 2 = 0.120 ± 0.001, baryon density Ω b h 2 = 0.0224 ± 0.0001, scalar spectral index n s = 0.965 ± 0.004, and optical depth τ = 0.054 ± 0.007 (in this abstract we quote 68% confidence regions on measured parameters and 95% on upper limits). The angular acoustic scale is measured to 0.03% precision, with 100 θ * = 1.0411 ± 0.0003. These results are only weakly dependent on the cosmological model and remain stable, with somewhat increased errors, in many commonly considered extensions. Assuming the base-ΛCDM cosmology, the inferred (model-dependent) late-Universe parameters are: Hubble constant H 0 = (67.4 ± 0.5) km s –1 Mpc –1 ; matter density parameter Ω m = 0.315 ± 0.007; and matter fluctuation amplitude σ 8 = 0.811 ± 0.006. We find no compelling evidence for extensions to the base-ΛCDM model. Combining with baryon acoustic oscillation (BAO) measurements (and considering single-parameter extensions) we constrain the effective extra relativistic degrees of freedom to be N eff = 2.99 ± 0.17, in agreement with the Standard Model prediction N eff = 3.046, and find that the neutrino mass is tightly constrained to Σ m ν < 0.12 eV. The CMB spectra continue to prefer higher lensing amplitudes than predicted in base ΛCDM at over 2 σ , which pulls some parameters that affect the lensing amplitude away from the ΛCDM model; however, this is not supported by the lensing reconstruction or (in models that also change the background geometry) BAO data. The joint constraint with BAO measurements on spatial curvature is consistent with a flat universe, Ω K = 0.001 ± 0.002. Also combining with Type Ia supernovae (SNe), the dark-energy equation of state parameter is measured to be w 0 = –1.03 ± 0.03, consistent with a cosmological constant. We find no evidence for deviations from a purely power-law primordial spectrum, and combining with data from BAO, BICEP2, and Keck Array data, we place a limit on the tensor-to-scalar ratio r 0.002 < 0.06. Standard big-bang nucleosynthesis predictions for the helium and deuterium abundances for the base-ΛCDM cosmology are in excellent agreement with observations. The Planck base-ΛCDM results are in good agreement with BAO, SNe, and some galaxy lensing observations, but in slight tension with the Dark Energy Survey’s combined-probe results including galaxy clustering (which prefers lower fluctuation amplitudes or matter density parameters), and in significant, 3.6 σ , tension with local measurements of the Hubble constant (which prefer a higher value). Simple model extensions that can partially resolve these tensions are not favoured by the Planck data.

79 ASTRONOMY AND ASTROPHYSICS↗

Integrated Framework of Multisource Data Fusion for Outage Location in Looped Distribution Systems

Accurate outage location is essential for expediting post-outage power restoration, minimizing outage duration, and enhancing the resilience of distribution networks. With the advent of advanced metering infrastructure, data-driven outage location methods have significantly advanced beyond traditional approaches that rely on manual inspections. However, existing methods still face critical challenges, like reliance on single-source data, limited ability to handle partially observable systems or difficulties with loop networks. To the best of our knowledge, no single approach has comprehensively addressed all of these challenges at once. To this end, this paper proposes a comprehensive multisource data fusion framework for outage locations via probabilistic graph networks. The framework consists of three key phases. First, a novel method for reconstituting distribution networks with loops is developed, transforming looped networks into multiple radial subnetworks that retain all outage causalities of the original network. Second, Bayesian network (BN) models are established for each subnetwork, integrating multiple data sources and network structures. Finally, a joint Gibbs sampling mechanism, featuring forward and backward information flow, is designed to merge data from separate BN models and maximize the utilization of limited evidence, ensuring accurate outage location identification. In conclusion, the framework was validated on two modified public test systems, and comparative studies confirmed its effectiveness.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Preparation of the Multi-Site Data Processing at the Vera C. Rubin Observatory

The Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST) Camera is scheduled to start taking data in the summer of 2025. The Data Release Production will run the LSST Science Pipe software at data facilities in the US, France and the UK. The LSST Science Pipeline consists of complex directed acyclic graphs (DAGs) of tasks. Rubin will use the Production and Distributed Analysis (PanDA) workflow and workload management system to orchestrate this complex workflow and the distribution of workloads to the data facilities. When run end-to-end by a team of data production staff, this processing (the Science Pipelines, distributed by the workflow and workload management system) is referred to as a 'campaign'. This paper describes the central services and data facility specific services that support this multi-site data process model, including the service deployment infrastructure, the workload and workflow system, the Campaign Management tools, and connection to Rubin Data Management. This paper will also mention the experience of processing the Rubin Commissioning Camera data. All these are part of the effort to scale up the processing capabilities for the expected very large data volume from the LSST Camera.

Yang, Wei [SLAC]↗

Sedimentary Geothermal Resources in Nevada, Utah, Colorado, and Texas

The objectives of this project were to (1) perform a literature review of sedimentary geothermal resources, (2) identify data sources and develop data-collection methodologies that characterize selected resources, (3) screen sedimentary basins and formations for sedimentary geothermal potential, and (4) evaluate the technical feasibility of one or more selected locations. Numerous publications have characterized geothermal resources within sedimentary basins. A literature search reviewed publications describing resources located in Colorado, Louisiana, Nevada, Texas, Utah, and Wyoming. The most attractive resources have high temperature gradients, low drilling costs, and reservoir permeabilities greater than 10 millidarcies (mD). Prospects in Colorado, Nevada, Texas, and Utah exhibit attractive characteristics and were chosen for further analysis. Sedimentary resources in Nevada and Utah are most attractive, followed by tested resources in Texas and untested resources in Colorado. The identified resources in Wyoming and Louisiana had lower geothermal gradients and were not evaluated. Reservoir modeling and techno-economic analysis were performed at Marys River Basin–North in Nevada. Geothermal energy production at this location is expected to have a levelized cost of energy (LCOE) ranging between 10 and 20 cents/kWh. Additional work may result in lower LCOE estimates at this location and at other attractive prospects in these three regions. The Great Basin carbonate and alluvial aquifer system of eastern Nevada and western Utah includes a lower carbonate aquifer unit, which has the potential for hosting both conduction- and convection-dominated geothermal systems. Mapping has identified lateral thickness variability expressed as a roughly 120–150-km-wide central corridor, which hosts the thickest and most continuous formations and extends from near Las Vegas north to the Idaho border. Purchase and analysis of privately held legacy seismic data could potentially compensate for the lack of sufficient data documenting measured depth to the lower carbonate aquifer unit. Multiple orogenies, extension episodes, and intrusive events have deformed and displaced the target formations of the lower carbonate aquifer unit. This structural complexity and potential for dipping reservoirs emphasizes the need for detailed geological, geophysical, and reservoir modeling. Heat flow within three Colorado sedimentary basins reviewed as part of this study was calculated in targeted studies by the Colorado Geologic Survey and Colorado School of Mines. These calculations are based on bottom-hole temperature data sets with significant limitations and some variability but produce values consistently higher than the global continental average of 65 mW/m2 for all three basins. Heat flow in the Raton Basin is the highest; however, permeability measurements from specific sedimentary formations with high heat flow have not been obtained. Promising formations for sedimentary geothermal systems were found in all three regions studied—Nevada-Utah, Colorado, and Texas. The next steps for developing sedimentary geothermal resources vary due to differences in available data and resource uncertainties. Additional scopes of work are recommended for identified basins in these three regions.

15 GEOTHERMAL ENERGY↗

Reducing systematic bias in machine learning applications to J/ψ signal extraction in high-energy nuclear physics

Machine learning techniques are increasingly used in high-energy nuclear physics because they can exploit multivariate correlations more efficiently than conventional cut-based analyses. A central challenge is the construction of training samples that faithfully reproduce the detector response observed in data. Signal samples are usually derived from detector simulations; therefore, mismatches between simulation and data can degrade classifier performance and introduce systematic biases. This work presents two practical correction procedures, namely cumulative distribution function (CDF) mapping and a shift-and-scale transformation, to align simulated signal features with those measured in data. Their performance is demonstrated with $J$/$\psi$ yield measurements in $\sqrt{s_{nn}}$ = 200 GeV Ru+Ru and Zr+Zr collisions recorded by STAR. A set of self-consistency tests shows that these procedures substantially suppress the systematic bias associated with data-simulation discrepancies in machine-learning-based signal extraction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

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