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Technical Basis Update for the Design Life Extension of the SAVY-4000® Series of Containers

This technical basis update focuses on the design life of the SAVY-4000® (hereafter “SAVY”) series of nuclear material storage container (e.g., used to store, transport, and handle special nuclear material outside of a glovebox), previously approved under DOE Manual 441.1-1, Nuclear Material Packaging Manual. The SAVY is approved for storing all authorized contents for a period of 15 years. The lifetime extension technical basis is established on the compiled technical data from the on-going SAVY and Hagan surveillance programs, destructive analysis results, accelerated aging studies, and performance testing, in line with the regulatory rigor of DOE M441.1-1.

42 ENGINEERING

Global compilation of soil methane uptake measurements from 1984 to 2018

This data package contains a global compilation of soil methane uptake measurements collected from published field studies between 1989 and 2022. The dataset was developed to support machine learning (ML) estimation of the global terrestrial methane soil sink and includes monthly methane uptake rates, measurement dates, site coordinates, and associated ecosystem information from different ecosystems. Data were compiled from 164 peer-reviewed publications across approximately 260 study sites, resulting in ~12,000 monthly observations after quality control screening and removal of manipulated experimental treatments. The database was further processed to generate site-averaged methane uptake estimates for comparison between process-based (PB) and ML models.

earth science

Advanced defrosting techniques in air source heat pumps: A review of vapor injection, thermal energy storage, and experimental frost accumulation data

Electrification is a critical step for reducing greenhouse gas emissions from heating. Air source heat pumps (ASHPs) are a promising alternative to fossil fuel-based systems due to their high coefficients of performance (COP), dual heating and cooling capability, and lower carbon footprint. However, for ASHPs to achieve widespread adoption, they must operate reliably across all climates, including cold regions. Additionally, defrosting techniques should be energy efficient and minimally disruptive to indoor comfort. Vapor injection (VI) technology can address the high-pressure and high-temperature lift challenges encountered in low ambient conditions. More recently, in addition to enhancing heating performance, VI has also been shown to improve the speed and efficiency of reverse cycle defrosting. Likewise, thermal energy storage (TES) has steadily gained attention for its ability to serve as an auxiliary heat source during both normal operation and defrosting. This review analyzes the benefits and limitations of VI- and TES-assisted defrosting approaches. While both technologies show strong potential individually, no studies to date have explored their combined use in ASHP systems. Additionally, to support continued development of defrosting strategies, both in modeling and experimental work, it is critical to establish frost accumulation data under a range of operating conditions. By compiling the available data from the literature, this paper also highlights the limited availability of such experimental data and the wide variation in frosting and defrosting durations and termination criteria, which are often influenced by system design and test setups.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

The joys and jitters of high‐temperature calorimetry

Abstract High‐temperature calorimetry (HTC) originated in the 20th century as a niche method to enable measurements not easily accomplished with acid solution calorimetry, combustion calorimetry, vapor pressure, or EMF methods. Over time, HTC has evolved into a versatile approach to accurately quantify formation, phase transition, surface and interfacial enthalpies of a wide range of materials including minerals and refractory inorganic compounds. This evolution has been the result of numerous adjustments to experimental setups and procedures, followed by rigorous testing. The commercial availability and the scientific success of this technique have led to an increase in the number of laboratories applying HTC. However, the knowledge acquired by researchers over the past 70 years is scattered throughout the literature or only available as laboratory internal documentation and personal experience. This publication is a collaborative effort among several leading HTC laboratories to summarize and unify current state‐of‐the‐art HTC techniques and procedures. The text starts by summarizing various HT techniques that are commonly used for readers with an interest in HTC in general. It is then directed toward HTC users and includes a brief section on data evaluation procedures as well as a comprehensive compilation of reference data utilizing molten sodium molybdate and lead borate solvents. Finally, for experienced HTC users, an in‐depth discussion of some common difficulties and a discussion of uncertainties are presented.

Scharrer, Manuel [Navrotsky Eyring Center for Mate

Soil and groundwater environmental sensor data, Wax Lake Delta, Louisiana, March 2023 - March 2024

This study evaluates how environmental parameters that integrate biogeochemical processes vary with water table fluctuations in the freshwater Wax Lake Delta (WLD) in Louisiana, U.S.A. This data package contains seven *.csv files and one Excel file that compiles all the data from the individual .csv files. This dataset reports high frequency (15-min) observations of water level, soil redox potential, specific conductance, and pH made for one year along elevation transects located on the older, proximal (OT) and younger, distal (YT) ends of a deltaic island. Water depth relative to the ground surface (cm; HOBO U20L-04; error ± 0.4 cm), water pH and temperature (HOBO MX2501), and specific conductance and temperature (HOBO U24-001) sensors were installed in March 2023. Water depth was corrected for barometric pressure recorded by a separate logger secured to a platform above the highest water level. Soil redox probes (SWAP ORP-40-4-B) were also installed in March 2023. Each probe had four Pt sensors (2 mm width) placed at 10 cm, 20 cm, 30 cm, and 40 cm below the ground surface. Redox data were referenced to an external Ag0/AgCl (3M KCl) reference probe placed in saturated ground and recorded on CR1000X dataloggers (Campbell Scientific) powered by solar panels. A second reference probe was positioned near the primary reference probe for backup and data correction. The tops of the soil redox probes and soil moisture probes were flush with the soil surface so that sensors are reported at their indicated depths below ground surface. Here, we report data collected between 15 March 2023 to 15 March 2024 for all sensors, with some differences due to exact dates of sensor placement or data gaps associated with sensor malfunction. For example, water depth at OT4 was not recorded between March to November 2023. Data flags indicate whether a value is valid (1) or was excluded from data analysis in the associated manuscript (-1).

EARTH SCIENCE > LAND SURFACE > SOILS

The User Guide for the ComPro Database

An extensive database of glass composition and durability data has been compiled at Savannah River National Laboratory to support the development of nuclear waste glasses. This database is referred to as the Glass Composition-Properties Database (ComPro). The ComPro Database, Revision 3, contains 14,134 total rows of data and 125 columns of composition, durability, as defined by the Product Consistency Test, and other fabrication and characterization information, if available, for each glass. Of the 14,134 total rows, 8,484 rows have been classified as “Model” data and 5,650 rows have been classified as “Non-Model” data. An integral supplement to the ComPro database is the User Guide. The User Guide was developed as a tool to aid the End User in a more effective use of the ComPro database. The User Guide provides a road-map of the specific datasets that comprise the ComPro database (both “Model” and “Non-Model” data) as well as a technical basis for the terminology and definitions the End User will encounter. In this report, a general description of the format and information contained in the User Guide is provided. In addition, specific terminology used in the User Guide is also discussed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W

Union through UNITY: Cosmology with 2000 SNe Using a Unified Bayesian Framework

Type Ia supernovae (SNe Ia) were instrumental in establishing the acceleration of the Universe’s expansion. By virtue of their combination of distance reach, precision, and prevalence, they continue to provide key cosmological constraints, complementing other cosmological probes. Individual SN surveys cover only over about a factor of 2 in redshift, so compilations of multiple SN data sets are strongly beneficial. We assemble an up-to-date “Union” compilation of 2087 cosmologically useful SNe Ia from 24 data sets (“Union3”). We take care to put all SNe on the same distance scale and update the light-curve fitting with SALT3 to use the full rest-frame optical. Over the next few years, the number of cosmologically useful SNe Ia will increase by more than a factor of 10, and keeping systematic uncertainties subdominant will be more challenging than ever. We discuss the importance of treating outliers, selection effects, light-curve shape/color populations/standardization relations, unexplained dispersion, and heterogeneous observations simultaneously. We present an updated Bayesian framework, called UNITY1.5 (Unified Nonlinear Inference for Type-Ia cosmologY), that incorporates significant improvements in our ability to model selection effects, standardization, and systematic uncertainties compared to earlier analyses. As an analysis byproduct, we also recover the posterior of the SN-only peculiar-velocity field, although we do not interpret it in this work. We compute updated cosmological constraints with Union3 and UNITY1.5, finding weak 1.7σ–2.6σ tension with flat cold dark matter and possible evidence for thawing dark energy (w0 > − 1, wa < 0). We release our SN distances, light-curve fits, and UNITY1.5 framework to the community.

Rubin, David

Ambiguities in the partial-wave analysis of the photoproduction of pairs of pseudoscalar mesons

Applying the technique of partial-wave analysis, there are cases where more than one set of underlying complex-valued amplitudes can describe the measured observables. These ambiguities can sometimes be resolved using additional information, but assumptions are often required. It is known that the partial-wave analysis of two-pseudoscalar meson systems produced in photoproduction with a linearly polarized photon beam is free from discrete ambiguities stemming from the Barrelet zeros when the nucleon spin is ignored. In this article, we show that continuous ambiguities are possible for certain wave sets, even though the discrete ambiguities do not appear. We also explore ways to resolve these ambiguities and determine the maximal amount of information that can be obtained from analyses that suffer from these continuous ambiguities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Topsoil bulk geochemical compositions - An updated harmonized global dataset

Mineral weathering is a key biogeochemical process because of the capacity of minerals to stabilize organic matter. However, predicting soil weathering status across large spatial areas still isn’t possible due to a lack of global data and theoretical frameworks. To address this knowledge gap, multiple global datasets of bulk topsoil geochemical compositions have been harmonized using R. These datasets document topsoil bulk geochemical compositions across five continents (n = ~16,000 observations). Source data for these observations include the EuroGEOSurveys Geochemical Baseline Database (FOREGS), the US Geological Survey National Geochemical Database (NASGLP), the Geochemical Atlas of Australia (GAA), the US Geological Survey Alaska Geochemical Database (AGD84), the National Cooperative Soil Survey (NCSS), the European Geochemical Mapping of Agricultural Soil (GEMAS), Ecorespira-Amazon (ERA), the New Zealand Geochemical Baseline Survey (NZ_GBS), and the African Soil Information Service (AFSIS). Major elements observed include Aluminum (Al), Calcium (Ca), Iron (Fe), Potassium (K), Magnesium (Mg), Sodium (Na), Titanium (Ti), Manganese (Mn), Phosphorus (P), Carbon (C), and Sulfur (S). This data package includes the harmonized dataset itself, and the R scripts necessary to harmonize these datasets, in addition to metadata that describes all columns, files, and databases used in this project. Methods & Sampling Step 1 – Databases of geochemical data identified This study aimed to leverage existing measurements of topsoil geochemical data. Databases were first identified and deemed appropriate for inclusion if they were measuring soils and performed these measurements on the <2mm soil fraction. Databases such as NCSS and AGD84 needed more post processing to include in the database and this was done using the NCSS_datamerge_031626 R file and Alaska_USGSmerge_031626 R file, respectively. Step 2 – Database harmonization Once appropriate databases were identified, they were harmonized for ease of analysis using the R script Database_Harmonization_031826. This included removing columns from original datasets that would not be used in analysis (removed columns are noted in the code). Then, data cleaning procedures specific to each dataset were undertaken. This includes standardizing columns to include units and adding metadata columns regarding procedures for analyzing specific elements. Functions for standardizing measurements and units are outline in R files: calculate element_mg_kg_031626, calculate_oxide_wt_perc_031626, change_oxide_caps_031626, and conv_2_numeric_031626. This also included adding a unique identifier for each sample to identify it with its respective database (see CD_ID in data dictionary). Geographic information: Data reflect a compilation of datasets collected globally. Geographic areas covered by each of the datasets include: - EuroGEOSurveys Geochemical Baseline Database (FOREGS) - European continent - North American Soil Geochemical Landscapes (NASGLP) - continental United States and limited parts of Canada (see database key for more details) - National Geochemical Survey of Australia (GAA) - Australia - Alaska geochemical database (AGDB4) - Alaska - National Cooperative Soil Survey (NCSS) - Global measurements, but concentrated in the continental United States - Geochemical data for arable land and land under permanent grass cover in continental Europe (GEMAS) - continental Europe - Ecorespira-Amazon (ERA) - Geochemical data from the Amazon basin - Geochemical baseline data for New Zealand (NZGBS) - New Zealand - Geochemical data collected across continental Africa (AfSIS) - Measurements across Africa

EARTH SCIENCE > LAND SURFACE > SOILS

Extraction of ground-state nuclear deformations from ultrarelativistic heavy-ion collisions: Nuclear structure physics context

The collective-flow-assisted nuclear shape-imaging method in ultrarelativistic heavy-ion collisions (UHICs) has recently been used to characterize nuclear collective states. In this paper, we assess the foundations of the shape-imaging technique employed in these studies. We argue that some current UHIC nuclear imaging techniques neglect fundamental aspects of spontaneous symmetry breaking and symmetry restoration in colliding ions and incorrectly infer one-body multipole moments from studies of nucleonic correlations. Therefore, the impact of this approach on nuclear structure research has been overstated. Conversely, efforts to incorporate existing knowledge on nuclear shapes into analysis pipelines can be beneficial for benchmarking tools and calibrating models used to extract information from ultrarelativistic heavy-ion experiments.

Nuclear data analysis & compilation

Evidence of isospin-symmetry violation in high-energy collisions of atomic nuclei

Strong interactions preserve an approximate isospin symmetry between up (u) and down (d) quarks, part of the more general flavor symmetry. In the case of K meson production, if this isospin symmetry were exact, it would result in equal numbers of charged (K + and K − ) and neutral (K 0 and ${\overline{K}}^{0}$) mesons produced in collisions of isospin-symmetric atomic nuclei. Here, we report results on the relative abundance of charged over neutral K meson production in argon and scandium nuclei collisions at a center-of-mass energy of 11.9 GeV per nucleon pair. We find that the production of K + and K − mesons at mid-rapidity is (18.4 ± 6.1)% higher than that of the neutral K mesons. Although with large uncertainties, earlier data on nucleus-nucleus collisions in the collision center-of-mass energy range $2.6 \, < \, \sqrt{{s}_{NN}} \, < \, 200$ GeV are consistent with the present result. Using well-established models for hadron production, we demonstrate that known isospin-symmetry breaking effects and the initial nuclei containing more neutrons than protons lead only to a small (few percent) deviation of the charged-to-neutral kaon ratio from unity at high energies. Thus, they cannot explain the measurements. The significance of the flavor-symmetry violation beyond the known effects is 4.7σ when the compilation of world data with uncertainties quoted by the experiments is used. New systematic, high-precision measurements and theoretical efforts are needed to establish the origin of the observed large isospin-symmetry breaking.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Benchmarking DFT Accuracy in Predicting O 1s Binding Energies on Metals

X-ray photoelectron spectroscopy (XPS) is a powerful tool for probing the electronic structure and composition of materials, particularly metals and metal oxides of relevance to solar cells and catalysis. Density functional theory (DFT) is often used to support XPS peak assignments, but its reliability for predicting oxygen species is not well established. Here, we compile a large data set of experimental oxygen binding energies and evaluate corresponding DFT predictions. We find that as the binding energies of metal-bound atomic oxygen species increase, especially above ≈530 eV, there is a general decrease in the accuracy of DFTpredicted values. Thus, high-binding-energy atomic oxygen species, such as those proposed as active for selective Ag-catalyzed epoxidation, are less well represented. The chemical nature of the oxygen species also influences accuracy, with molecularly bound species more reliably captured across the entire range of energies. These findings illustrate the limitations of DFT for interpreting XPS spectra and provide a benchmark for improving computational methods.

Adsorption

MRCI Subtask 2.1: Defining Sub-Regional Carbon Storage Systems Final Technical Summary Report

In order to assess the regional and subregional geologic framework of the MRCI area and expand carbon dioxide (CO2) storage characterization efforts in this larger region, the current state of geologic knowledge relative to carbon storage (CS) has been summarized by compiling available geologic data and interpretive results into a centralized resource under Subtask 2.1. The MRCI region is a large area, which includes (1) part of the Forest City Basin and Western Arches, (2) Illinois Basin, (3) Upper Mississippi Embayment, (4) Michigan Basin, (5) Central Arches, (6) Appalachian Basin, and (7) Atlantic Coastal Plain and West Atlantic basins. Basins and arches are subdivided into areas of similar geology based on geologic structures and state-specific stratigraphic nomenclature. A concerted effort was made to present the current understanding of rock-unit stratigraphy in the subsurface of each basin and arch region (and subdivisions therein). Rock units are characterized based on their relative CS potential (saline reservoirs, confining intervals, etc.) within CS systems. CS systems are defined by regional confining units (usually thick, widespread shales), and contain all reservoirs and strata between the regional confining units. Report Authors – Steve Greb and Tom Sparks (Kentucky Geological Survey), Mark Kelley, Sanjay Mawalkar, John Hershberger, Priya Ravi Ganesh, Derrick James, and Stuart Skopec (Battelle), Charles Bopp, Yaghoob Lasemi and Hannes Leetaru (deceased) (Illinois State Geological Survey), Kristin Carter (Pennsylvania Geological Survey), William Harrison (Michigan Geological Repository for Research and Education – Michigan Geological Survey), Susan Pool (West Virginia Geological and Economic Survey), James McDonald (Ohio Geological Survey), John Schmelz (Rutgers University), Ryan Clark (Iowa Geological Survey). Other Technical Contributors – Seth Carpenter and John Hickman (Kentucky Geological Survey), Jessica Moore, Eric Lewis, Philip Dinterman, Timothy Vance, and Gary Daft (West Virginia Geological and Economic Survey), Michele Cooney, Robin Anthony, Cheyenne Woodward, and Katherine Schmid (Pennsylvania Geological Survey), Autumn Haagsma and Amber Conner (Michigan Geological Repository for Research and Education – Michigan Geological Survey), Kenneth Miller (Rutgers University), Ashley Douds and Valerie Beckham-Feller (Indiana Geological & Water Survey), Michael Solis (Ohio Geological Survey).

Appalachian,Arches,Forest City,Illinois,MRCI,Michi

From Text to Maps: LLM-Driven Extraction and Geotagging of Epidemiological Data

Epidemiological datasets are essential for public health analysis and decision-making, yet they remain scarce and often difficult to compile due to inconsistent data formats, language barriers, and evolving political boundaries. Traditional methods of creating such datasets involve extensive manual effort and are prone to errors in accurate location extraction. To address these challenges, we propose utilizing large language models (LLMs) to automate the extraction and geotagging of epidemiological data from textual documents. Our approach significantly reduces the manual effort required, limiting human intervention to validating a subset of records against text snippets and verifying the geotagging reasoning, as opposed to reviewing multiple entire documents manually to extract, clean, and geotag. Additionally, the LLMs identify information often overlooked by human annotators, further enhancing the dataset’s completeness. Our findings demonstrate that LLMs can be effectively used to semi-automate the extraction and geotagging of epidemiological data, offering several key advantages: (1) comprehensive information extraction with minimal risk of missing critical details; (2) minimal human intervention; (3) higher-resolution data with more precise geotagging; and (4) significantly reduced resource demands compared to traditional methods.

Harrod, Karly

Temporal covariation of island arc Sr isotopes and seawater chemistry over the past 2 billion years

The chemical compositions of island arc basalts (IAB) reflect contributions from the mantle as well as fluids and melts from the subducting slab. Addition of radiogenic seawater Sr to oceanic crust through hydrothermal alteration and subsequent subduction is often invoked to explain elevated 87 Sr/ 86 Sr signatures in modern IAB. However, changes in the 87 Sr/ 86 Sr of island arc magmatic rocks through time has not been investigated, limiting our understanding of the factors influencing the Sr budgets of arcs throughout Earth’s history. To address this, we compiled 87 Sr/ 86 Sr values from island arc magmatic rocks ranging in age from modern to Paleoproterozoic, only including data from island arc localities that best preserve initial magmatic 87 Sr/ 86 Sr. Median initial 87 Sr/ 86 Sr values are consistently elevated compared to depleted mantle 87 Sr/ 86 Sr over this period, indicating persistent enrichment in radiogenic Sr in island arcs. Moreover, the elevation in island arc 87 Sr/ 86 Sr relative to the depleted mantle is variable. A notable rise in island arc 87 Sr/ 86 Sr during the late Neoproterozoic coincides with a steep increase in seawater 87 Sr/ 86 Sr and Sr concentration. To investigate this potential connectivity, we modeled the 87 Sr/ 86 Sr of island arc magmas between 0 and 830 Ma with inputs of depleted mantle 87 Sr/ 86 Sr, seawater 87 Sr/ 86 Sr, and seawater Sr concentration. The model reproduces the overall trajectory of the compiled data. We interpret the observed temporal variation in island arc 87 Sr/ 86 Sr values and its close association with fluctuations in seawater chemistry as evidence that changes in marine geochemistry have strongly influenced the Sr isotopic record of island arc magmas over time.

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