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DOE OSTI2025

Software For Advanced Large-scale Analysis Of Magnetic Confinement For Numerical Design, Engineering & Research (salamander)

As magnetic confinement fusion energy gains traction internationally to enable abundant energy production, designing components for fusion systems is a pressing challenge. During the planned lifetime of a fusion device, components evolve in extreme environments and must withstand large, repeated thermal loads and bombardment by 14 MeV neutrons, plasma ions, and neutral particles (deuterium, tritium, and helium), corrosive conditions, etc. All these physical processes take place simultaneously, interact in intricate ways, and impose important constraints that can affect performance. Experimental data is rare and costly to obtain, making design particularly challenging. Predictive computational frameworks must be an integral part of an accelerated and cost-effective design process by modeling fusion system performance in simulated environments. To better understand component degradation and operational impacts on their performance, the Software for Advanced Large-scale Analysis of MAgnetic confinement for Numerical Design, Engineering & Research (SALAMANDER) is designed as an open-source, fully integrated, multiphysics, multiscale, NQA-1 compliant framework facilitating 3D, high-fidelity fusion system modeling. To that end, SALAMANDER is a MOOSE-based framework, and therefore leverages MOOSE upstream libraries such as PETSc and libMesh to deliver sophisticated finite element, finite volume, and nonlinear solver technology for fusion energy simulations. SALAMANDER couples MOOSE physics module capabilities—such as thermal hydraulics, heat conduction, Navier-Stokes, and thermomechanics—with tritium transport via TMAP8, neutronics via Cardinal, and nascent particle-in-cell capabilities. Direct simulation Monte Carlo methods will be used to address neutral transport near the walls. By coupling all these physics in an integrated application, SALAMANDER will enable high-fidelity modeling of irradiation levels and plasma exposure conditions of plasma facing components and their impact on heat and tritium distributions, as well as the resulting mechanical constraints experienced by the plasma facing components and performance of blanket systems. Furthermore, SALAMANDER will be particularly suited for engineering studies thanks to the stochastic tool module readily available in MOOSE, allowing for extended uncertainty quantification and risk analysis studies. It is also able to use computer-aided design (CAD) meshes to model complex geometries, which is indispensable for fusion systems. SALAMANDER therefore supports design, safety, engineering, and research projects for magnetic confinement fusion systems

Simon, Pierre-Clement [Idaho National Laboratory (↗

DOE OSTI2022

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2021

The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2021. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2021 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Bioaccumulation of Mercury and Radiocesium in Waterfowl Introduced to a Site with Legacy Contamination

Despite the propensity of waterfowl species to readily accumulate anthropogenic contaminants within polluted environments, few studies have examined bioaccumulation rates over time when entering such a contaminated site. We examined mercury (Hg) and radiocesium ( 137 Cs) bioaccumulation over time in two waterfowl species released into a wetland system containing legacy contamination on the US Department of Energy's Savannah River Site in South Carolina. Released birds were collected at select time intervals over an exposure period of 94 days. We quantified total Hg concentrations in blood, muscle, and liver tissues, and 137 Cs activity in whole-body and muscle tissues. The relationship between the contaminant burdens of different body tissue types was examined over time. Likely a result of microhabitat selection, mallards in our study readily accumulated both Hg and 137 Cs at consistent rates over time within our study system, while ring-neck ducks did not. The findings demonstrated that whole blood can be used as a robust, nondestructive sampling alternative to estimate Hg burdens within muscle and liver, and whole-body 137 Cs activity is a good predictor of muscle burdens. Understanding such bioaccumulation information in waterfowl is useful for the assessment of the potential health risk in wildlife, as well as being important for human risk assessment toward the consumption of popular game species. Environ Toxicol Chem 2022;41:2479–2487. © 2022 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Thermoelectric coatings for waste heat recovery and photo-thermal power

An energy harvesting system for collecting energy from sources of thermal energy that exist in the environment and convert the energy to electricity. The system has N-P junctions mounted on the outer surface of a conduit, pipe or flue. A hot medium flows through the conduit, pipe or flue. The p-n junctions operate as thermoelectric power generators. Heat absorbed at the p-n junctions increases the kinetic energy of charge carriers causing migration of the charge carriers. This thermally-driven migration of charge carriers is used to drive an electrical current in an external circuit.

Farmer, Joseph C.↗

DOE OSTI2020

West Valley Demonstration Project Annual Site Environmental Report (CY2019)

The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2019. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2019 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

RCT Module 2.09: Environmental Monitoring [Slides]

Environmental monitoring plays a large role in the field of radiological control. It is used to estimate human population doses, determine the impact a site has on the environment, monitor for unplanned releases as well as quantifying planned releases, and gives us useful data in determining pathway data. This course will prepare the student with the skills necessary for RCT qualification.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

2020 State of the Science Report, Chapter 14: Summary and Path Forward

The 2020 State of the Science report collates and presents the current understanding of interactions between marine renewable energy (MRE) systems and the marine environment, with an emphasis on their effects on marine animals, habitats, and oceanographic systems, using publicly available information. The report places this information in context through lessons learned from research studies in the laboratory and in the field, modeling simulations, and deployments; monitoring around demonstration, pilot, and small commercial MRE projects; and identifies gaps in knowledge and makes recommendations for filling those gaps. In addition, strategies for moving toward a consistent and effective consenting or permitting (hereafter consenting) process and management of the potential effects of MRE development are highlighted. The status and recommendations from each of the priority interactions between MRE devices and the environment are summarized here, and the management strategies for facilitating development are discussed. Finally, a path forward toward commercial MRE development is explored. https://tethys.pnnl.gov/publications/state-of-the-science-2020-chapter-14-summary-path-forward

16 TIDAL AND WAVE POWER↗

DOE OSTI2023

West Valley Demonstration Project (WVDP) (Annual Site Environmental Report (ASER), Calendar Year 2022)

The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2022. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2022 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Large eddy simulation of a pressurized reactive fluid–particle system: single-particle dynamics analysis

Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Designing an effective burner plays a vital role in developing new combustion technologies. Because of the high pressure, the volume fraction of particles in a pressurized oxy-combustor could be higher than that in the conventional combustor, therefore, the particle dynamics in the pressurized vessel need to be evaluated accordingly. The present computational work is to predict the influence of the particle size and particle injection location on the particle trajectory. The Stokes number based on turbulence fluctuation, St, is adopted to evaluate the impact of the gas phase on the particulate phase. A large eddy simulation (LES) with the environment pressure of 15 bar and the thermal input of the fuel particle of 100 kWth has been performed by means of the commercial CFD package. It is shown that that in this pressurized environment St << 1 for the 25 µm particles, St ~ 1 for the 100 µm particles, while for the particles exceeding 200 µm St >> 1. The trajectories of the sampling particles from the LES results support this conclusion: the particles less than 100 µm tend to be uniformly distributed in the space while the particles exceeding 200 µm tend to concentrate in the combustor.

Li, Lei↗

DOE OSTI2021

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2020

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2020. The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2020. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2020 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

Resource Conservation and Recovery Act↗

DOE OSTI2023

Microbial Influence on the Mobility of +3 Actinides from a Salt-Based Nuclear Waste Repository

Biologically enhanced transport of radionuclides is one of several processes that can affect the performance of a nuclear waste repository. In this work, several microbial isolates from the Waste Isolation Pilot Plant (WIPP) were tested for their influence on the concentration of neodymium, as an analog for +3 actinides, in simple sodium chloride solutions and in anoxic WIPP brines. Batch sorption experiments were carried out over a period of 4–5 weeks. In many cases, the effect on neodymium in solution was immediate and extensive and assumed to be due to surface complexation. However, over time, the continued loss of Nd from the solution was more likely due to biologically induced precipitation and/or mineralization and possible entrapment in extracellular polymeric substances. The results showed no correlation between organism type and the extent of its influence on neodymium in solution. However, a correlation was observed between different test matrices (simple NaCl versus high-magnesium brine versus high-NaCl brine). Further experiments were conducted to test these matrix effects, and the results showed a significant effect of magnesium concentration on the ability of microorganisms to remove Nd from solution. Possible mechanisms include cation competition and the alteration of cell surface structures. This suggests that the aqueous chemistry of the WIPP environs could play a larger role in the final disposition of +3 actinides than the microbiology.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

West Valley Demonstration Project (WVDP) Annual Site Environmental Report (ASER) for Calendar Year 2023

The report, prepared for the U.S. Department of Energy West Valley Demonstration Project office (DOE-WVDP), summarizes the environmental protection program at the WVDP for calendar year (CY) 2023. Monitoring and surveillance of the facilities used by the DOE are conducted to verify protection of public health and safety and the environment. The report is a key component of DOE’s effort to keep the public informed of environmental conditions at the WVDP. The quality assurance protocols applied to the environmental monitoring program ensure the validity and accuracy of the monitoring data. In addition to demonstrating compliance with environmental laws, regulations, and directives, evaluation of data collected in 2023 continued to indicate that WVDP activities pose no threat to public health or safety, or to the environment.

Record of Decision↗

DOE OSTI2026

Developing safe, effective, and orally available treatments for heavy metal poisoning (CRADA Final Report)

As part of the Cyclotron Road program, HOPO Therapeutics investigated the technical capabilities of heavy metal chelating agents for the sequestration, (re)distribution, delivery, and removal of metal ions, and their applications in the health, environment, and energy sectors. The project team researched chelating agents for use in the removal of heavy metals, and evaluated their potential benefits for a range of therapeutic, environmental, and energy applications.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2022

Metatranscriptomics reveals a shift in microbial community composition and function during summer months in a coastal marine environment

Abstract Temperate coastal marine waters are often thermally stratified from spring through fall but can be dynamic and disrupted by tidal currents and wind‐driven upwelling. These mixing events introduce deeper, cooler water with a higher partial pressure of CO 2 (pCO2) and its associated microbial communities to the surface. Anecdotally, these events impact shellfish hatcheries and farms, warranting improved understanding of changes in composition and activity of marine microbial communities in relation to environmental processes. To characterize both compositional and functional changes associated with abiotic factors, here, we generate a reference metatranscriptome from the Strait of Georgia over representative seasons and analyze metatranscriptomic profiles of the microorganisms present within intake water containing different pCO 2 levels at a shellfish hatchery in British Columbia from June through October. Abiotic factors studied include pH, temperature, alkalinity, aragonite, calcite, and pCO 2 . Community composition changes were observed to occur at broad taxonomic levels and most notably to vary with temperature and pCO 2 . Functional gene expression profiles indicated a strong difference between early (June–July) and late summer (August–October) associated with viral activity. The taxonomic data suggest this could be due to the termination of cyanobacteria and phytoplankton blooms by viral lysis in the late season. Functional analysis indicated fewer differentially expressed transcripts associated with abiotic variables (e.g., pCO 2 ) than with the temporal effect. Microbial composition and activity in these waters vary with both short‐term effects observed alongside abiotic variation and long‐term effects observed across seasons. The analysis of both taxonomy and functional gene expression simultaneously in the same samples by environmental RNA (eRNA metatranscriptomics) provided a more comprehensive view for monitoring water bodies than either would in isolation.

Sutherland, Ben J. G.↗

DOE OSTI2020

Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal–Organic Frameworks

The UiO family of metal-organic frameworks (MOFs) has been extensively studied for several applications owing to their high stability rendered by their robust secondary building units. The efficient design and use of these materials require a fundamental understanding of their thermal stability and its impact on chemical and structural functionality. In this work, we provide a detailed characterization of the intrinsic thermal behavior of the UiO-67 and functional analogues, UiO-67-NH 2 and UiO-67-CH 3 . Using in situ temperature-programmed X-ray diffraction, we find that distortion of the carboxylate group on the organic linker leads to negative thermal expansion (NTE) of the UiO-67 MOFs during heating. This NTE behavior is correlated with rich and reversible thermal changes observed in the MOF infrared spectral signature as samples are heated to the sample activation temperature (473 K). We find that in the absence of oxygen, activated UiO-67 samples show higher thermal stability compared to ambient or inert environments, with temperature-programmed desorption revealing an overall stability trend: UiO-67 > UiO-67- CH 3 > UiO-67-NH 2 . Two stages of change are observed during thermal treatment above 473 K, which are directly related to deformation of the inorganic node and the isotropic NTE behavior of these materials. Ultimately, these results provide a real-time interpretation of the fundamental thermoresponsive behavior of UiO-67 MOFs and offer a foundation for accurate interpretation of MOF interactions with guest molecules and their temperature dependence.

36 MATERIALS SCIENCE↗

DOE OSTI2020

OES-Environmental 2020 State of the Science Report: Environmental Effects of Marine Renewable Energy Development Around the World. Report for Ocean Energy Systems (OES)

This report summarizes the state of the science related to marine renewable energy devices and their interactions with and effects on the marine environment, the animals that live there, and the habitats that support them. This report serves an update and a complement to the 2016 Annex IV report. https://tethys.pnnl.gov/publications/state-of-the-science-2020

03 NATURAL GAS↗

DOE OSTI2021

Sensitivity of Neutron-Rich Nuclear Isomer Behavior to Uncertainties in Direct Transitions

Nuclear isomers are populated in the rapid neutron capture process (r process) of nucleosynthesis. The r process may cover a wide range of temperatures, potentially starting from several tens of GK (several MeV) and then cooling as material is ejected from the event. As the r-process environment cools, isomers can freeze out of thermal equilibrium or be directly populated as astrophysically metastable isomers (astromers). Astromers can undergo reactions and decays at rates very different from the ground state, so they may need to be treated independently in nucleosythesis simulations. Two key behaviors of astromers—ground state ↔ isomer transition rates and thermalization temperatures—are determined by direct transition rates between pairs of nuclear states. We perform a sensitivity study to constrain the effects of unknown transitions on astromer behavior. Detailed balance ensures that ground → isomer and isomer → ground transitions are symmetric, so unknown transitions are equally impactful in both directions. We also introduce a categorization of astromers that describes their potential effects in hot environments. We provide a table of neutron-rich isomers that includes the astromer type, thermalization temperature, and key unmeasured transition rates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

The Effect of Thermal Aging on the Performance of High-Cr Ni-based Alloys in Primary Water Environment

Nickel-based Alloy 690, and the associated weld Alloys 52 and 152, are used for nozzle penetrations in replacement heads for pressurized water reactor (PWR) vessels. They are chosen for their excellent overall resistance to general corrosion and environmental degradation, primarily stress corrosion cracking (SCC). However, many of the existing PWRs are expected to operate beyond their first or second license renewal (e.g., 40 to 60 years or beyond 60 years). Hence, the thermal stability of Ni-Cr alloys is a potential concern for the long-term performance of both existing and advanced nuclear power plants. Moreover, Ni-Cr alloys are being considered for high-level radioactive waste disposal containers that will be required to contain the waste for at least 10,000 years.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗