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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Legacy Survey of Space and Time Data Preview 2: DiaSource searchable catalog

We present Rubin Data Preview 2 (DP2), the second data preview from the NDF-DOE Vera C. Rubin Observatory. Data Preview 2 (DP2) comprises coadds, detection catalogs, and ancillary data products; and when fully released will also include single-epoch images and difference images. DP2 is derived from observations acquired by the LSST Science Camera (LSSTCam) on the Simonyi Survey Telescope at the Summit Facility on Cerro Pachón, Chile, primarily during the on-sky commissioning campaign between 2025-04-16 and 2025-09-21, supplemented by observations taken between 2025-10-25 and 2026-01-06 that overlap the commissioning footprint. The DP2 footprint comprises the Science Validation wide-area survey, five Deep Drilling Fields, and a number of targeted small-field regions, including Trifid and Lagoon, Prawn, M49, and New Horizons, all observed as part of the Rubin First Look campaign. Each field was imaged in up to six broad photometric bands, ugrizy, and coadded to produce deep imaging covering an estimated 3,000 deg2. The addition of single-visit-only areas expands the total DP2 footprint to an estimated 15,000 deg2, with coverage in at least one filter. The median per-visit PSF FWHM across the wide-area survey ranges from 1.17 arcsec in the z band to 1.26 arcsec in g and r bands. The deepest field, reaches estimated coadded 5σ depths of u=26 mag, g=26.8 mag, r=26.3 mag, i=26.1 mag, z=25.3 mag, y=23.9 mag. Based on a roughly five-month primary observing baseline and covering only part of the eventual LSST footprint, DP2's area, depth, and multiband coverage nonetheless support a broad range of early science investigations ahead of LSST Data Release This dataset is a subset of the full data release consisting of a searchable catalog named DiaSource. This catalog contains measurements for detected sources in difference images. This catalog contains 1,000,825,975 rows with 90 columns.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Benchmark Exercise Report for Experimental Study of Bubble Scrubbing in Water Coolant Pool

Mechanistic assessments of radionuclide release during postulated accidents are expected to be included in advanced reactor license applications. The mechanistic source term (MST) provides an opportunity for vendors to realistically evaluate the radiological consequences of an incident, and may aid in justifying reduced emergency planning zones and plant sites. However, the development of MSTs for advanced nuclear reactors is challenging because there are numerous phenomena that can affect the transport and retention of radionuclides. As part of a trial MST assessment for a metal-fueled, pool-type sodium cooled fast reactor (SFR), led by Argonne National Laboratory, a simplified radionuclide transport code (SRT code) was developed, which includes models to estimate the quantity of fission product aerosols scrubbed in the sodium pool during postulated accident scenarios. In a pool-type SFR, when fission products are released into the coolant pool due to failure of fuel pins, most of the radionuclides are scrubbed by the coolant pool, but some have the potential to migrate to the cover gas region through entrainment within gas bubbles. The SRT code contains a model that evaluates this scrubbing behavior and calculates the fraction of fission product aerosols that reach the cover gas. Due to a lack of available validation data for sodium pool scrubbing, the U.S. Department of Energy funded an experiment at the University of Wisconsin-Madison to measure aerosol scrubbing by injecting air bubbles containing aerosol into a coolant pool. Prior to performing an experiment with liquid sodium, a water loop experiment was performed. Their experiment evaluated the effect of changing the aerosol size, aerosol density, aerosol concentration, bubble size, and pool depth on the aerosol scrubbing efficiency of the pool. In this benchmark experiment, the base tests were conducted by repeated tests of isolated bubbles. Afterwards, more prototypic tests with bubble swarms were performed to evaluate the interactions between the bubbles. The bubble swarm test was able to confirm that a larger amount of aerosol scrubbing occurred than the single bubble test. It was also confirmed that as the bubble size, aerosol density, and pool height increase, the extent of pool scrubbing also increases and does not change with the aerosol concentration. In addition, since the degree of scrubbing is the lowest at aerosol sizes between 0.01 and 1 μm, that is, the largest amount of aerosol is emitted, it was confirmed that the analysis of this size in MST is the most important. This benchmark experiment informs the direction of future sodium experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Constellation's best estimate alternate source term methodology overview

Safety analyses for a nuclear power plants need to consider postulated accidents that results in at risk of accidental release of radiation. The regulations require plant specific safety analysis reports to include an evaluation of the requirements of 10CFR50.67. Such a safety analysis report mandates limits such that calculated radiological consequences relative to certain dose locations do not exceed a total effective dose equivalent (TEDE) limits following a postulated release of radioactivity. Calculations are performed to estimate the radiological consequences, in terms of dose, to people and equipment to ensure the estimated doses are within the prescribed limits. Analysis should demonstrate, with reasonable assurance, that these prescribed limits are complied with. Conventional methodologies utilize conservative approaches to address lack of uncertainty quantification in the utilized approaches, methods, and/or inputs. These built-in excess conservatisms often result in compounding effects and hence overly conservative results in the estimated radiological consequences, which leads to inaccurate margin evaluation for operation and accident mitigation. Therefore, evaluating accurate dose consequences is needed for both operational and safety reasons. The research documented in this paper provides an overview of Constellation's Best Estimate Alternate Source Term (BEAST) Methodology. BEAST methodology relies upon the use of realistic yet bounding input distributions for key analysis parameters, which replaces use of conservative deterministic singular inputs that bound overall analysis domain. This approach enables evaluating a more accurate accident analysis response, while enabling a bounding licensing basis envelope via more accurate quantification of uncertainty in the application. Therefore, built-in margin for a given scenario is more accurately evaluated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

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↗
DOE OSTI2021

A catalogue of white dwarfs in Gaia EDR3

ABSTRACT We present a catalogue of white dwarf candidates selected from Gaia Early Data Release 3 (EDR3). We applied several selection criteria in absolute magnitude, colour, and Gaia quality flags to remove objects with unreliable measurements while preserving most stars compatible with the white dwarf locus in the Hertzsprung–Russell diagram. We then used a sample of over 30 000 spectroscopically confirmed white dwarfs and contaminants from the Sloan Digital Sky Survey (SDSS) to map the distribution of these objects in the Gaia absolute magnitude–colour space. Finally, we adopt the same method presented in our previous work on Gaia Data Release 2 (DR2) to calculate a probability of being a white dwarf (PWD) for ≃1.3 million sources that passed our quality selection. The PWD values can be used to select a sample of ${\simeq} 359\,000$ high-confidence white dwarf candidates. We calculated stellar parameters (effective temperature, surface gravity, and mass) for all these stars by fitting Gaia astrometry and photometry with synthetic pure-H, pure-He, and mixed H–He atmospheric models. We estimate an upper limit of 93 per cent for the overall completeness of our catalogue for white dwarfs with G ≤ 20 mag and effective temperature (Teff) > 7000 K, at high Galactic latitudes (|b| > 20°). Alongside the main catalogue we include a reduced proper motion extension containing ${\simeq} 10\,200$ white dwarf candidates with unreliable parallax measurements that could, however, be identified on the basis of their proper motion. We also performed a cross-match of our catalogues with SDSS Data Release 16 (DR16) spectroscopy and provide spectral classification based on visual inspection for all resulting matches.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Cobalt-60, Barium-133, Cesium-137, and Europium-152 migration from cementitious sources through sediment under field conditions

Safe and effective storage of radioactive waste is essential to protect human and environmental health. Due to the potential for accidental releases and the severity of the associated risks, it is imperative to further understand radionuclide transport should an accident occur. This study was the second set of measurements conducted in 2022 of an ongoing experiment that has analyzed the vadose zone migration of radionuclides from cementitious wasteforms at the Savannah River Site over the last ten years. The radionuclides introduced within the sources are prominent constituents of radioactive waste or analogs for other groups or series of radionuclides. Lysimeters were first analyzed in 2016 using a collimated high-purity germanium gamma-ray spectrometer to non-destructively measure the concentration of each radionuclide in the sediment column as a function of depth. Following these measurements, the lysimeters were redeployed for another 4 years. All radionuclides in all lysimeters were observed to transport further during the redeployment period; however, the extent of migration varied with the material used for introduction. Except for 137Cs, migration through the sediment control system increased with decreasing ionic potential (ionic charge/radius); migration order: 152Eu<137Cs<60Co<133Ba. Overall, the cementitious wasteforms were observed to decrease radionuclide migration extent relative to natural vadose zone conditions. In both cementitious wasteforms, the migration extent increased in the order 152Eu<133Ba<60Co<137Cs. However, less migration was measured when the radionuclides were incorporated into a reducing grout wasteform. The novelty of this paper is the demonstration of a technique capable of creating non-destructive measurements over decade time scales. Ultimately, this work provides insight into the long-term migration of alkali, alkali earth, divalent transition metal, and trivalent (e.g., lanthanide and actinide element) isotopes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Ventilator Testbed

A number of open-source ventilator designs have been published online since the outbreak of the COVID-19 pandemic. These ventilator designs have been created and released to help address the limitations in manufacturing and distribution timelines, and to help drive availability of more cost efficient ventilators. Many of these ventilators have been designed to be relatively simple to build and to use components that can be easily-sourced and acquired in large numbers from local suppliers. A test bed for evaluating the performance of these open-source ventilators was developed at Los Alamos National Laboratory as part of the Technology Evaluation and Demonstration program.

42 ENGINEERING↗
DOE OSTI2023

OpenStudio®-ERI (Energy Rating Index (ERI) Workflow) [SWR-18-72] 1.7.0 Released 12/14/2023

The OpenStudio®-ERI project allows calculating an Energy Rating Index (ERI) using the Department of Energy's open-source OpenStudio®/EnergyPlus® simulation platform. The building description is provided in an HPXML file format. The project supports: - ANSI/RESNET/ICC 301© Standard for the Calculation and Labeling of the Energy Performance of Dwelling and Sleeping Units using an Energy Rating Index - ENERGY STAR Certification System for Homes and Apartments Using an ERI Compliance Path - IECC ERI Compliance Alternative (Section R406) - DOE ZERH Certification Using an ERI Compliance Path For more information on running simulations, generating HPXML files, etc., please visit the documentation at https://openstudio-eri.readthedocs.io/en/latest/

Horowitz, Scott↗
DOE OSTI2025

Expanded Diversity of Microbial Groups Capable of Anaerobic Pyrite Reduction and Assimilation of Dissolution Products

Pyrite, the most abundant iron sulfide mineral in the Earth's crust, has traditionally been considered as a sink for iron and sulfur in the absence of oxygen. Recent research, however, has shown that anaerobic methanogenic archaea can reductively dissolve pyrite and assimilate its products as sources of iron and sulfur. This study explores whether other anaerobic bacteria, including fermentative, nitrate-, iron oxide-, fumarate-, and sulfate-respiring bacteria, can also reduce pyrite and use its dissolution products as sources of iron and sulfur. Results indicate that heterotrophic bacteria respiring fumarate or sulfate, or fermenting organic carbon, can reduce pyrite and assimilate released iron and sulfur. In contrast, nitrate- or iron oxide-respiring cells did not reduce pyrite, suggesting that microbial pyrite reduction is metabolism-specific. All strains capable of reducing pyrite could also use mackinawite as an iron and sulfur source. With the exception of fermentative Bacteroides, strains did not require direct contact with pyrite to reduce the mineral, indicating extracellular electron transfer via electron shuttles. These findings expand the known diversity of microbial groups capable of pyrite reduction and highlight the mineral's lability in various anaerobic environments, with potential implications for the biogeochemical cycles of iron, sulfur, carbon, and oxygen.

58 GEOSCIENCES↗
DOE OSTI2023

Solar Thermochemical Ammonia Production (STAP) (Final Report)

Ammonia (NH 3 ) is an energy-dense chemical and a vital component of fertilizer. In addition, it is a carbon-neutral liquid fuel and a potential candidate for thermochemical energy storage for high-temperature concentrating solar power (CSP). Currently, NH 3 synthesis occurs via the Haber-Bosch process, which requires high pressures (15-25 MPa) and medium to high temperatures (400-500 °C). N 2 and H 2 are essential feedstocks for this NH 3 production process. H 2 is generally derived from methane via steam reforming; N 2 is sourced from air, after oxygen removal via combustion of hydrocarbons. Both processes consume hydrocarbons, resulting in the release of CO 2 . In addition, hydrocarbon fuels are burned to produce the heat and mechanical energy required to perform the NH 3 reaction, further increasing CO 2 emissions. Overall, the production of ammonia via the Haber-Bosch (H-B) process is responsible for up to 1.4% of the world’s carbon emissions. The development of a renewable pathway to NH 3 synthesis, which utilizes concentrated solar irradiation as a process heat instead of fossil fuels and operates under low or ambient pressure, will result in a decrease (or elimination) of greenhouse gas emissions as well as avoid the cost, complexity, and safety issues inherent in high-pressure processes. Most current efforts to “green” ammonia production involve either electrolysis or simply replacing the energy source for H-B with renewable electricity, but otherwise leaving the process intact. The effort proposed here would create a new paradigm for the synthesis of NH 3 utilizing solar-thermal heat, water, and air as feedstocks, providing a truly green method of production. The overall objective of the STAP (Solar Thermal Ammonia Production) project was to develop a solar thermochemical looping technology to produce and store nitrogen (N 2 ) from air for the subsequent production of ammonia (NH 3 ) via an advanced two-stage process. The goal is a cost-effective and energy efficient technology for the renewable N 2 production and synthesis of NH 3 from H 2 (produced from H 2 O) and air using solar-thermal energy from concentrating sunlight, under pressures an order of magnitude lower than H-B NH 3 production. Our process involves two looping cycles, which do not require catalysts and can be recycled. Over the course of the STAP project, we (1) developed and deeply characterized oxide materials for N 2 separation; (2) developed a method for the synthesis of metal nitrides, producing a series of quaternary compounds that have been heretofore unreported; (3) modeled, designed, and fabricated bench-scale tube and on-sun reactors for the N 2 production step and demonstrated the ability to separate N 2 over multiple cycles in the tube reactor; (4) designed and fabricated a bench-scale Ammonia Synthesis Reactor (ASR) and demonstrated the proof of concept of NH 3 synthesis via a novel looping process using metal nitrides over multiple cycles; and (5) completed a systems- and technoeconomic analysis showing the feasibility of ammonia production on a larger scale via the STAP process. The development of renewable, low-cost NH 3 will be of great interest to the chemicals industry, particularly agricultural sectors. The CSP industry should be both an important customer and potential end-user of this technology, as it affords the capability of synthesizing a promising thermochemical storage material on-site. Since the NH 3 synthesis step also requires H 2 , there will exist a symbiotic relationship between this technology and solar-thermochemical water-splitting applications. Green ammonia synthesis will result in the decarbonization of a hydrocarbon-intensive industry, helping to meet the Administration goal of industrial decarbonization by 2050. The resulting decrease in CO 2 and related pollutants will improve health and well-being of society, particularly for those living in the vicinity of commercial production plants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Te(IV) immobilization by siderite: Reaction kinetics, mechanism, and Te isotopic fractionation

Mining and industrial use over recent decades have released tellurium (Te) into the environment where it potentially contaminates soils, water supplies and food sources. Therefore, it is important to find ways of removing mobile and bioavailable Te from aqueous environments. Here, we report aqueous Te(IV) removal by siderite at varying Te concentrations (2, 6 and 10 mg mL –1 Te(IV)) and pH values (7, 7.9 and 9), together with associated isotope fractionation (ε 130 Te/ 125 Te). Our results show effective immobilization of Te(IV) that follows pseudo-first order rate kinetics. Formation of magnetite indicates reduction of Te(IV) on siderite surfaces and the formation of Te(0). The overall isotope fractionation (ε) is small (–0.23 ± 0.06‰) providing evidence that it is primarily controlled by adsorption of Te(IV) occurring simultaneously with reduction of Te(IV). Therefore, Te(IV) removal by siderite under mildly reducing ferruginous conditions may be identifiable by the characteristically small isotopic fractionation during both natural attenuation and active remediation. To our knowledge, this is the first study reporting reaction mechanisms of Te(IV) immobilization by an environmentally relevant Fe(II) mineral.

58 GEOSCIENCES↗
DOE OSTI2026

Model‐Based Interpretation of Solute Exports and Carbon Partitioning During Shale Weathering in a Mountainous Hillslope

The weathering of sedimentary rocks in high-elevation catchments influences freshwater quality and the global carbon cycle. While individual biogeochemical mechanisms involved in this process are relatively well understood, quantifying their contributions to solute export and carbon fluxes under natural, transient conditions remains challenging. Here, we implement a numerical multidimensional and multiphase model to simulate coupled hydrological and biogeochemical processes in a shale-underlain, snow-dominated hillslope in the Rocky Mountains, Colorado. The model captures the dynamic interplay between soil respiration, mineral weathering, and climate-driven hydrological forcing, reproducing observed soil CO 2 dynamics, groundwater chemistry, and subsurface flow. Our results reveal that seasonal snowmelt enhances carbonate weathering by promoting the infiltration of CO 2 -rich water to depth, while pyrite oxidation is primarily sensitive to low water saturation that facilitates O 2 diffusion through the regolith. Topography modulates the spatial distribution of shale weathering, as steeper slopes enhance lateral drainage, favoring the delivery of reactants to greater depths. While shale weathering at our site acts as a transient carbon sink, with silicates and carbonates buffering acidity and promoting atmospheric CO 2 consumption (1% of soil-derived CO 2 ), the exported dissolved inorganic carbon is predominantly geogenic (∼73%). Consequently, when accounting for long-term marine carbonate precipitation. The current weathering regime represents a net source of carbon to the atmosphere. The oxidation of pyrite and petrogenic organic carbon together release approximately 0.9 mol·m −2 ·yr −1 of CO 2 . Our findings highlight the role of topography, hydroclimate, and the coupling between acid-base reactions in shaping the carbon balance and the solute exports in mountainous critical zones.

carbon cycling↗
DOE OSTI2020

Collective mode Brownian dynamics: A method for fast relaxation of statistical ensembles

Sampling equilibrium configurations of correlated systems of particles with long relaxation times (e.g., polymeric solutions) using conventional molecular dynamics and Monte Carlo methods can be challenging. This is especially true for systems with complicated, extended bond network topologies and other interactions that make the use and design of specialized relaxation protocols infeasible. We introduce a method based on Brownian dynamics simulations that can reduce the computational time it takes to reach equilibrium and draw decorrelated samples. Importantly, the method is completely agnostic to the particle configuration and the specifics of interparticle forces. In particular, we develop a mobility matrix that excites non-local, collective motion of N particles and can be computed efficiently in $\mathcal{O}(N)$ time. Particle motion in this scheme is computed by integrating the overdamped Langevin equation with an Euler–Maruyama scheme, in which Brownian displacements are drawn efficiently using a low-rank representation of the mobility matrix in position and wave space. We demonstrate the efficacy of the method with various examples from the realm of soft condensed matter and release a massively parallel implementation of the code as a plugin for the open-source package HOOMD-blue [J. A. Anderson et al., J. Comput. Phys. 227, 5342 (2008) and J. Glaser et al., Comput. Phys. Commun. 192, 97 (2015)] which runs on graphics processing units

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Characterizing Ocean Acidification and Atmospheric Emission caused by Methane Released from Gas Hydrate Systems along the US Atlantic Margin (Final Report)

To assess the environmental impact of decomposing gas hydrates, this project characterized the atmospheric emission and ocean acidification associated with seafloor-released methane along the U.S. Atlantic Margin. This project leveraged the newly discovered seafloor seeps in this region, many of which are located near the landward limit of gas hydrate stability, to investigate the fate and environmental impact of methane once released from the seafloor. Several research directions were pursued during these investigations. First, high-spatial resolution surface surveys were conducted to characterize the degree to which sea-to-air emission of methane is correlated with acoustically detected seafloor bubble emissions. Second, the natural isotopic signatures of both radiocarbon and δ 13 C were measured throughout the water column to observe if seafloor-released methane was detected in surface waters or if it was replaced by a different source. Third, the extent of methane oxidation in the water column was constrained to assess the ability of this process to mitigate atmospheric methane emissions. Fourth, since aerobic methane oxidation ultimately converts methane to carbon dioxide, the extent of ocean acidification relating to this process was assessed. Ultimately, this project was conducted in four stages. Stage one involved preparations for the research expedition along the U.S. Atlantic Margin. This involved calibrating, modifying, and validating equipment needed for sample and data collection in this unique environment. Stage two involved executing the at-sea science. This research was conducted from 25 August to 5 September 2017 on the R/V Hugh R. Sharp. This expedition left from Lewes, Delaware and investigated the continental slope from approximately this latitude down to Cape Hatteras, North Carolina. Third, any samples unanalyzed on the research vessel were returned to the laboratory and measured. Fourth, the data were interpreted, and publications and presentations were prepared.

03 NATURAL GAS↗
DOE OSTI2021

Science Validation for Dark Energy Research with Optical Imaging Surveys

The Universe has been expanding at an accelerating rate over the past several billion years, as though an unknown form of dark energy permeates all of space. The ultimate scientific goal of the proposed research is to distinguish between different physical mechanisms that could account for this observed accelerated expansion, for example, the zero-point energy of the vacuum, a dynamical form of energy that varies in time and/or space, or a modification to our theory of gravity. Wide- field optical imaging surveys of the night sky can test these competing models by measuring both the cosmic expansion history and the growth of large-scale structure. To this end, the Dark Energy Survey (DES) has cataloged several hundred million galaxies and thousands of supernovae. The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST), will enlarge the census to billions of galaxies and hundreds of thousands of supernovae. A critical question for these dark energy experiments is whether systematic uncertainties can continue to be controlled at a level to keep pace with the statistical precision offered by such enormous datasets. The immediate research objectives of this project were (1) to prepare and validate input datasets that are the foundation of cosmological analyses with DES, and (2) to prepare for value-added characterization of Rubin Observatory commissioning data to inform early operations and accelerate the realization of dark energy science from LSST data products. For DES, we assembled and curated cosmology-ready data releases that include value-added components such as enhanced photometric and astrometric calibrations, alternative source extraction algorithms, maps of the survey coverage and survey conditions, object classifications, object quality selections, galaxy shapes, and photometric redshifts. We used the galaxy clustering technique to validate the photometric redshift distributions of various galaxy samples to be used as lenses in combined studies of galaxy clustering and weak gravitational lensing. The galaxy clustering redshift analysis was enhanced by use of a larger sample of reference galaxies from the eBOSS spectroscopic survey that extends to higher redshifts. For LSST, we prepared for science validation studies of commissioning data aimed at dark energy science capability that extend beyond the normative system-level tests to be done by the Rubin Observatory Construction Project. We identified a set of proposed survey strategies and candidate target fields that could be observed during the commissioning period to enhance science validation activities related to studies of dark energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

DECOVALEX-2023: Task F1 Final Report

DECOVALEX-2023 Task F is a comparison of models and methods for post-closure performance assessment (PA) of a deep geologic repository for radioactive waste. The general aims of Task F are to build confidence in the models, methods, and software used for PA and to stimulate additional research and development in PA methodologies. The task objectives are to motivate development of PA modelling skills and capabilities, to examine the influence of model choices on calculated repository performance, and to compare the uncertainties introduced by model choices to other sources of uncertainty. Task F involves no actual experiment or site. It is a PA modelling exercise that requires the conceptual development of hypothetical repository designs and geologic settings. Because three of the teams were interested in salt and the rest of the teams were interested in crystalline rock, Task F was split into two branches: Task F1 for crystalline rock and Task F2 for salt. This report is for Task F1, crystalline rock. Teams from seven countries (Canada, Czech Republic, Germany, Korea, Sweden, Taiwan, and United States) participated in Task F1. The teams worked together to define the features, events, and processes of the reference case repository and established a set of performance measures. In addition, they defined a set of benchmark problems designed to test and compare modelling capabilities for fracture flow and transport at different scales. The repository design and benchmark problems are documented in a Task Specification that evolved over time as the group honed the specifications. The benchmark problems verified that each team can aptly model flow and transport in fractured media in 1-, 2-, and 3-dimensions. Two general approaches were used for the 3-dimensional benchmarks: discrete fracture network (DFN) and equivalent continuous porous medium (ECPM). DFN modelling involves explicit meshing of each fracture while ECPM modelling aims to capture the effective porosity and directional permeability of each cell in a space-filling mesh as affected by intersecting fractures. In some models, a combination of the two is used, i.e., DFN for large known fractures and ECPM for the rest of the domain. Transport is solved by using either the advection-dispersion equation or particle tracking. Although some variation is observed among model breakthrough curves in the benchmark problems, there is strong agreement in breakthrough behaviour up to at least the 75 th percentile for all benchmarks. At the 90 th percentile, breakthrough results show larger differences, suggesting several models retain substantially higher fractions of tracer in regions of slower moving water. In addition to the flow and transport benchmarks, several teams completed the source term benchmark, verifying capabilities for modelling radionuclide decay and ingrowth, waste package breach, instant release fractions, fuel matrix degradation rates, and radionuclide solubility limitations. The reference case is conceptualized as a generic spent fuel repository at a depth of 450 m in fractured crystalline rock. The repository has 50 parallel backfilled drifts, each with 50 deposition holes 6 m apart. Each deposition hole contains a 4-PWR waste package and bentonite buffer. The rock domain is 5 km in length, 2 km in width, and 1 km in depth. It has 6 deterministic fractured deformation zones and a multitude of stochastic fractures. Teams generally used the ECPM approach for the entire rock or a hybrid approach in which the deterministic fracture zones are modelled with a DFN and the rest of the rock is modelled by ECPM. Of the reference case problems specified, only the results of the initial reference case problem are compared in this report. The initial problem focuses on transport from the deposition holes to the surface, i.e., it neglects waste package performance. Tracers are released at all waste package locations at time zero and tracked for their releases to the near field and ground surface. The water fluxes calculated at the ground surface entry and exit regions of the domain are similar for all models except for two that have considerably lower fluxes. For tracer transport, large differences are observed among models in the magnitude of tracer transported. Much of the difference appears to be due to how the repository is implemented and hence the different degrees of repository simplification. Models that exclude the drifts, buffer, and backfill from the domain tend to show greater release of tracers and radionuclides from the repository. The initial study presented here indicates that major differences in modelling important processes within the repository (e.g., diffusion through buffer and backfill) can produce broadly different release and transport results, especially when those processes are excluded. Even for the models that included all specified features, events, and processes, the results show significant differences and demonstrate the importance of examining multiple modelling approaches in performance assessment. The differences in results observed in this study are expected to motivate teams to either increase complexity in future versions of the reference case models or to improve methods to account for the effects of simplified features and processes. Either way, future improvements in these models are expected to produce results that more closely agree.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Hydrogen Life-Cycle Analysis in Support of Clean Hydrogen Production

Hydrogen is a basic molecule which is commonly used in the production of chemicals or as an energy carrier or a fuel. Its zero-carbon content means that it does not produce carbon dioxide upon its use. However, depending on the energy source and technology for hydrogen production and delivery, there can be greenhouse gas (GHG) emissions associated with the hydrogen for various end use applications. To provide the largest reduction in GHG emissions, hydrogen produced from clean energy sources should be used. As concerns regarding climate change grows, there is an increasing focus on economic production of clean hydrogen to displace less climate neutral sources of hydrogen. However, there are many different methods of hydrogen production with unique processes that result in different levels of life cycle GHG emissions of hydrogen production and its end use applications. Therefore, a comprehensive life cycle accounting methodology that takes all these factors into account is required. he GREET ® (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model was first developed in 1995 by Argonne National Laboratory with the support from the various offices of the U.S. Department of Energy (DOE). GREET provides in-depth Life Cycle Analysis (LCA) simulations for a variety of products and is available as an Excel spreadsheet (GREET Excel), or as an application (GREET .Net). Both versions are available for public download at no cost. This report accompanies GREET 2022 release to describe the major updates and expansions to the hydrogen technology pathways, and to provide data sources and sample carbon intensity results for each of the pathways.

08 HYDROGEN↗
DOE OSTI2023

Flammability and dispersion of tritium in confined release scenarios

Ignition of a flammable tritium-air mixture is the most probable means to produce the water form (T 2 O or HTO), which is more easily absorbed by living tissue and is hence ~10,000 times more hazardous to human health when uptake occurs compared to the gaseous form (T 2 or HT; per Mishima and Steele, 2002). Tritium-air mixtures with T 2 concentrations below 4 mol% are considered sub-flammable and will not readily convert to the more hazardous water form. It is therefore desirable from a safety perspective to understand the dispersion behavior of tritium under different release conditions, especially since tritium is often stored in quantities and pressures much lower than is typical for normal hydrogen. The formation of a flammable layer at the ceiling is a scenario of particular concern because the rate of dispersion to nonflammable conditions is slowest in this configuration, which maximizes the time window over which the flammable tritium may encounter an ignition source. This report describes the processes of buoyant rise and dispersion of tritium. Accumulation of flammable concentrations of tritium next to the ceiling is a common safety concern for hydrogen, but this situation can only occur if dispersion rates are slow with respect to rates of release and rise. Theory and simulations demonstrate that buoyancy does not cause regions with flammable concentrations to form within buildings from sources that have previously been mixed to sub-flammable concentrations. A simulated series of tritium release events with their associated dispersion behavior are reported herein; these simulations apply computational fluid dynamics to rooms with three different ceiling heights and a variety of tritium release rates. Safety related quantities from these simulations are reported, including the mass and volume of tritium occurring in a flammable mixture, the presence or absence of a flammable layer at the ceiling, and the time required for dispersion to nonflammable conditions after the end of the tritium release event. These safety metrics are influenced by the magnitude and rate of the tritium release with respect to the air volume in the room and also the momentum of the plume or jet with respect to the ceiling height. Several screening criteria are recommended to assess whether a specific tritium release scenario is likely to form a flammable layer at the ceiling. The methods and results in this modeling study have applicability to explosion safety analysis for other buoyant flammable gases, including the lighter isotopes of hydrogen.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗