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At least 613 records · Page 34

Updated Application of Frequency of Detection Methods for the INL Site Ambient Air Monitoring Network

This report presents a quantitative assessment of the current INL Site air monitoring network using frequency of detection (FD) methods. The first assessment of the INL network was performed in 2015 and made recommendations for improving the network. As a result of changes made in response to the recommendations and the addition of new source locations, the network was modified and reassessed in 2017. Since 2017, administration of the air sampling program has been consolidated under one contractor, which resulted in additional changes to the network (sampler numbers and locations) and changes in radionuclide detection levels. As a result of these changes and others, an updated assessment of the INL Site ambient air monitoring network was performed. The same two exposure scenarios used in previous assessments were used for this assessment: a resident scenario and a shepherd/rancher scenario. The resident was assumed to be continuously present at their residence/business/farm operation outside the INL Site boundary while the shepherd/rancher was assumed to be present 24-hours at the nearest INL grazing allotment boundary in each of the 22.5-degree sectors along the sector centerline from each source. Updates to both the resident and shepherd/rancher receptor locations were included. Other changes include updates to flow rates for stack sources, expansion of the list of important radionuclides based on the most recent National Emission Standards for Hazardous Pollutants (NESHAPs) analysis, and updated dose coefficients. The assessment was conducted to determine whether the current INL monitoring network is capable of detecting releases of important radionuclides from INL Site sources that have the potential to exceed a conservative dose threshold for the two exposure scenarios. The assessment revealed that for the resident scenario, the current network meets the desired performance objective (FD = 95%) for all radionuclides and sources except for Cl-36 from the TRA-770 stack (94.4%). For the shepherd/rancher scenario, the FD performance objective is met for all radionuclides and sources except tritium from MFC-774 and TAN 679 (91% for both). An investigation of reported emissions for the past three years revealed that Cl 36 is not emitted from TRA-770, and routine tritium emissions from MFC-774 and TAN-679 are very small and the sources are likely incapable of emitting enough tritium to cause a release that should be detectable by the monitoring network. This assessment is based on a conservative dose threshold. This coupled with fact that the FD for Cl 36 is only slightly less than the performance objective and Cl-36 is not emitted from TRA-770, modifying the network (i.e. adding another sampler, increasing sampler flow rate, moving samplers) to meet the 95% performance objective for this radionuclide/source/receptor scenario is not warranted. Similarly, because tritium emissions from MFC-774 and TAN-679 are very small and these two sources are likely incapable of causing a dose due to tritium release that should be detectable by the network, modifications to increase tritium detection for these sources is also unwarranted at this time. However, if it is required to meet the performance objective for tritium for all sources and receptor scenarios, additional analysis determined the FD could be raised from 91% to > 99% for both sources by adding two tritium samplers to the network.

61 RADIATION PROTECTION AND DOSIMETRY↗

Tunable Laser-Plasma Amplifier (Final Report)

Exploration at the laser intensity frontier has always offered new avenues for physics and reaching beyond this frontier is a grand challenge. Present-day petawatt-class lasers provide focused intensities on target of 10 22 W/cm 2 , corresponding to electric fields of 200 TV/m, while laser-plasma amplification opens a route for focused intensities well above 10 23 W/cm 2 . Intensities in this range provide the ability to test quantum electrodynamics in the unexplored low-energy, strong-field regime where signatures for new physics may arise. The behavior of matter under such extraordinary conditions is a rich and fascinating subject, not only in its own right in fundamental plasma physics, but for the many potential applications that promise to enrich the natural sciences in the future, including compact electron-beam, ion-beam particle accelerators, and ultra-bright X-ray sources. Although laser systems are now under construction internationally to access intensities of 10 23 W/cm 2 , the current technologies used appear to be fundamentally limited to these intensities. The realization of intensities beyond 10 23 W/cm 2 using parametric amplification in plasmas promises a breakthrough in high-energy density physics. Parametric amplification using Raman scattering in a plasma could provide the enabling technology for the generation of ultra-high-power laser pulses, but a more complete understanding of the nonlinear optics of plasmas is required. There is a significant gap in well-diagnosed laser-plasma instability studies of nonlinear plasma-wave phenomena, which are critical to understand for future laser-plasma devices. To achieve an efficient laser-plasma amplifier, plasma waves must be driven to large amplitude where significant energy can be rapidly transferred from the pump to the seed over the pulse duration of the seed. Simulations suggest that this nonlinear pump depletion regime can be achieved in the “pi-pulse” amplification regime. While simulations show this optimal regime with efficient amplification, it has remained elusive in experiments and there is a growing consensus within the community that thermal effects and pump beam limitations prevent laser-plasma amplifiers from progressing through the linear regime into the nonlinear pump depletion regime. Previous experiments have been significantly limited by the laser power available at the necessary wavelengths for the seed laser; therefore, the amplification is required to start in the linear regime where it is sensitive to many deleterious effects. The enabling technology (currently unique to plasma-wave amplification in the world) at the University of Rochester is the ability to provide a seed pulse with sufficient power (4 mJ/100 fs seed) to immediately drive nonlinear plasma waves into the pi-pulse regime and to tune its wavelength to optimize the efficiency of energy transfer. This in combination with the state-of-the-art OMEGA heater beams providing multiple kilojoules in a nanosecond to sufficiently heat the plasma make this system distinct from previous studies. These heater beams will provide, for the first time in Raman amplification studies, a homogeneous electron temperature high enough to prevent pump beam propagation issues that have plagued previous experiments. These systems will provide a platform for driving electron-plasma waves into the nonlinear regime where pump depletion and pulse shortening are predicted to lead to high amplification efficiencies (>30%). The Team has made significant progress through prior support from DOE Fusion Energy Sciences [DOE Office of Science Award Number DE-SC0016253 (2016-2022)]. This includes twenty-two peer-reviewed manuscripts, one patent, ten contributed talks presented at international conferences, and research that was highlighted as invited talks at fifteen international conferences. The broader impacts of this research are evident in the support of early career scientists, two Ph.D. theses, four current graduate students, a Masters Project, two undergraduate researchers, and an underrepresented minority student hired through the California Alliance for Minority Participation who now works as a Research Engineer in the group. This research met all of the funded research objectives and the highlights from primary Raman amplification thrust of this work are discussed below and form the foundation for the proposed research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Results for the September Bimonthly Calendar Year 2022 Tank 50 Salt Solution Sample

In this Technical Report, the chemical and radionuclide contaminant results from the 2022 September bimonthly sample of Tank 50 salt solution are presented in tabulated form. The information from this characterization will be used by Savannah River Mission Completion (SRMC) for the transfer of aqueous waste from Tank 50 to the Saltstone Production Facility (SPF), where the waste will be treated and disposed in the Saltstone Disposal Facility. This Technical Report compares results, where applicable, to SPF Waste Acceptance Criteria (WAC) LIMITS and TARGETS that were established at the time the Tank 50 sample was obtained. The chemical and radionuclide contaminant results from the characterization of the 2022 September bimonthly sampling of Tank 50 were requested by SRMC personnel via a Task Technical Request (TTR). Details of the testing are presented in the Savannah River National Laboratory (SRNL) Task Technical and Quality Assurance Plan (TTQAP). This Technical Report is the TTR deliverable relating Salt Solution Analysis from the SRMC request. The following facts pertaining to the WAC are drawn from the analytical results, including analytical uncertainty, provided in this report. 1) WAC LIMITS and TARGETS were met for all analyzed chemical and radioactive contaminants for which the detection limits are below the WAC LIMITS and TARGETS; 2) Measured average concentrations of nitrate, nitrite and total mercury are approximately 24%, 9% and 12% of the WAC LIMITS, respectively; 3) Measured average concentrations of Tc-99 and I-129 are approximately 19% and 20% of the WAC LIMITS, respectively; 4) All other radionuclide average concentrations are at 4% or less of the WAC LIMITS and TARGETS.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Human-in-the-loop Sensing and Control for Commercial Building Energy Efficiency and Occupant Comfort

Most of the existing heating, ventilation and air conditioning (HVAC) systems in commercial buildings operate in a conservative manner by assuming maximum occupancy in each room during pre-specified periods of the week, leading to significant energy being wasted as rooms are over-conditioned compared to the actual requirements of the occupants. Though critical, our understanding of occupancy patterns and thermal comfort needs of the occupants in commercial buildings is lacking and it is well known that both of these quantities are stochastic and time-varying, thus requiring sensing solutions to estimate them. This project had the goal of designing, implementing and evaluating a hardware and software solution to ameliorate this challenge. In particular, a depth camera (one whose pixels reveal distance from the camera as opposed to color values) placed on doorways is used to detect entrance and exit events from thermal zones in the building, and thereby estimate their occupancy levels. This information is then fed to a novel control algorithm that can, through interactions with the HVAC system, learn how to provide control inputs that maximize comfort and minimize energy waste. The resulting system represents a significant improvement over existing controllers for commercial HVAC systems and allowed us to improve our understanding of the design of future human-in-the-loop control solutions. For this solution to be feasible, the project had target metrics for its performance and cost. In particular, entrance and exit events for occupants moving about the building would need to be detected with an accuracy higher than 97%; and the resulting control inputs derived from this information would need to lead to approximately 10% energy savings compared to a schedule-based controller. Furthermore, regarding the final hardware design, the project had a target bill of materials (BOM) cost for the sensing solution of less than US$200 per unit while using less than 25W of power on average. All of these target metrics were met or exceeded by our final proposed solution. We performed evaluations by deploying the system in over 20 rooms of different types across 6 commercial buildings in Pittsburgh, PA over the course of three years, and performing targeted controlled experiments to test its performance along the different metrics. The human-in-the-loop control solutions (both hardware and software) developed through this project are expected to lead to significant improvements in the comfort and energy efficiency of HVAC systems used in commercial buildings. The insights we developed through the project pave the way to HVAC systems that can condition interior spaces according to their real-time utilization and the thermal comfort needs of the occupants, thereby reducing energy use. They also open up a new learning-based way of configuring HVAC controllers without having to manually fine-tune them for each building. These innovations can significantly increase the adoption of novel control solutions by the industry and thereby save resources and reduce costs of operation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Artificial Intelligence and Machine Learning for Bioenergy Research: Opportunities and Challenges

The integration of artificial intelligence and machine learning (AI/ML) with automated experimentation, genomics, biosystems design, and bioprocessing technologies is poised to revolutionize scientific investigation and, particularly, bioenergy research. To identify the opportunities and challenges in this emerging research area, the U.S. Department of Energy’s (DOE) Biological and Environmental Research program (BER) and Bioenergy Technologies Office (BETO) held a joint virtual workshop on AI/ML for Bioenergy Research (AMBER) on August 23–25, 2022. These interests have since been amplified in a September 2022 Executive Order, “Advancing Biotechnology and Biomanufacturing Innovation for a Sustainable, Safe, and Secure U.S. Bioeconomy,” to promote a whole-of government approach to biotechnology development (White House 2022). Approximately 50 scientists with various backgrounds and expertise from academia, industry, and DOE national laboratories met to discuss the opportunities and challenges of AI/ML for bioenergy research. Workshop participants were tasked with assessing the potential for AI/ML and laboratory automation to advance biological understanding and engineering in general. They particularly examined how integrating AI/ML tools with laboratory automation could accelerate biosystems design and optimize biomanufacturing. Discussions included the data and computational infrastructure needed to augment biosystems design applications and the expertise and workforce development efforts urgently required to shift integrated systems toward bioenergy research more broadly. Participants discussed many existing and future applications of AI/ML for biosystems design ranging from enzymes to plants and microbes, microbiomes, and bioprocess development. They also identified three key categories of scientific and technical opportunities and challenges: high-quality data, AI/ML algorithms, and laboratory automation. Several main takeaways emerged from the workshop: 1. Numerous AI/ML and automated experimentation applications exist for a variety of DOE mission needs in energy and the environment; 2. Exemplary research grand challenges for which AI/ML could provide solutions include: building microbes and microbial communities to specifications, developing closed-loop autonomous design and control for biosystems design, and advancing scale-up and automation; 3. Lack of sufficient high-quality, annotated data hinders the development of AI/ML applications; 4. New and improved AI/ML tools are needed, particularly those meeting the specific needs of the BER and BETO research communities; 5. Trade-offs in performance, cost, and reliability exist between deploying commercially available versus building custom-developed instrumentation and software for automated or autonomous experimentation; translation of manual to automated or autonomous methods is often a nontrivial endeavor; 6. Training a new generation of young scientists who can develop and apply AI/ML tools is needed to solve long-standing scientific challenges in bioenergy research. The integration of AI/ML tools and automated experimentation represents a new data-driven research paradigm complementary to the traditional hypothesis-driven research paradigm. This paradigm accelerates design and optimization of biological systems and processes for a variety of DOE mission needs in energy and the environment. The AMBER workshop broadly explored the potential of this new paradigm for bioenergy research, of particular interest to BER and BETO, and identified key challenges and opportunities that DOE can address in the coming years by leveraging its unique capabilities and resources.

59 BASIC BIOLOGICAL SCIENCES↗

Nuclear Criticality Experiments Research Center Futures: A Report of a Workshop held September 6-9, 2022, Los Alamos, NM, November, 2022

Experiments and training with critical assemblies and fissionable material (at or near the critical state) that explore reactivity phenomena are central to a number of national security challenges. From fission energy to nuclear weapons to a broad suite of scientific challenges, it is clear that additional capacity and capability are needed. The National Criticality Experiments Research Center (NCERC) marked 10 years of operations in 2021. This anniversary was an opportune time to celebrate our successes and progress, and to evaluate the remaining and emergent challenges. Against this backdrop, a workshop of approximately 140 national and international leaders in nuclear research was convened in Los Alamos, New Mexico to explore “NCERC Futures.” Therefore, the present workshop focused specifically on needed capabilities and tools to meet the research challenges in eight topical mission areas served by NCERC. As each Topical Group summarized their discussions in the out brief, it was recognized that key challenges could be met through enabling infrastructure investments and new critical assemblies. Enabling infrastructure includes staffing, additional space/buildings, developing an agile bounding safety basis, the ability to keep pace with technological advances in detectors and data acquisition systems (allowing use of those with Bluetooth™ and similar technologies), an expanded set of materials options (especially plutonium), a “Plug and Play” design and implementation mindset, and a facility that enabled free-field measurements. The new critical assemblies that were identified as having the most impact were a bare plutonium (Pu) Critical Assembly, a Horizontal Split Table (HST), a Super Comet, and a Uranium Solution Burst Assembly. NECRC is a unique, one-of-a-kind facility in the United States. If all the improvements were to be made, NCERC would enable the United States and its partners to address many important research questions related to criticality. These include but are not limited to: (1) Covering the entire neutron energy spectrum for both highly enriched uranium (HEU) and Pu in configurations for virtually all conceivable applications; (2) Performing multi-physics solution experiments and irradiations with a Uranium Solution Burst Assembly, which more closely resembles actual criticality accidents; (3) Conducting free-field experiments to make basic fission physics measurements and much cleaner benchmarks with various experimental observables; and (4) Providing more training classes and more experiments annually at greater cost efficiency enabled by additional buildings and machines and an agile, bounding, risk-balanced Safety Basis. In the end, workshop attendees enthusiastically concluded that NCERC Futures are bright and the workshop helped to identify a roadmap of capability gaps that need to be addressed. This report documents the results of those efforts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

National Institute of Standards and Technology Requirements (Analysis Report)

EPOC uses the Deep Dive process to discuss and analyze current and planned science, research, or education activities and the anticipated data output of a particular use case, site, or project to help inform the strategic planning of a campus or regional networking environment. This includes understanding future needs related to network operations, network capacity upgrades, and other technological service investments. A Deep Dive comprehensively surveys major research stakeholders’ plans and processes in order to investigate data management requirements over the next 5–10 years. In October of 2022, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers and staff from the National Institute of Standards and Technology (NIST) for the purpose of a Deep Dive into scientific and research drivers. The goal of this activity was to help characterize the requirements for a number of campus use cases, and to enable cyberinfrastructure support staff to better understand the needs of the researchers within the community. Material for this event included the written documentation from each of the profiled research areas, documentation about the current state of technology support, and a write-up of the discussion that took place via e-mail and video conferencing. The case studies highlighted the ongoing challenges and opportunities that NIST has in supporting a cross-section of established and emerging research use cases. Each case study mentioned unique challenges which were summarized into common needs.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Nuclear Weapons and the Atmospheric Test Era

The era of atmospheric testing defies a simple description. Beginning with the goal of proving fission, the United States’ test program grew in complexity as scientists explored thermonuclear reactions, met the military demand for a variety of weapons for an increasing number of delivery platforms, and reacted to the ever-growing public fear of fallout. And, of course, political considerations were always present, first in the prosecution of World War II and later in the Cold War. To understand the atmospheric test program, then, is to understand how science, politics, and the public shaped our society in ways that are still difficult to fully understand.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Performance Assessment for the Environmental Restoration Disposal Facility (Annual Status Report FY 2022)

DOE O 435.1 and DOE M 435.1-1 require that a determination of continued adequacy of the performance assessment (PA) (CP-60089), composite analysis (CA), and disposal authorization statement (DAS) be made on an annual basis, and that the determination must consider the results of data collection and analysis from research, field studies, and monitoring as well as the need to update any Radioactive Waste Management Basis (RWMB) documents. Beginning in 1996, the Environmental Restoration Disposal Facility (ERDF) started accepting low-level radioactive, hazardous, and mixed wastes that were generated during cleanup activities at the Hanford Site. ERDF is composed of a series of cells or disposal areas and can accommodate future design expansions as needed. Currently, there are eight cells and two supercells in ERDF. Each supercell is the equivalent of two cells. During this reporting period (fiscal year 2022, extending from October 1, 2021, through September 30, 2022), approximately 8.52E+04 metric tons (9.39E+04 U.S. tons) of waste was disposed at ERDF. From ERDF inception through September 30, 2022, approximately 17.0 million metric tons (18.7 million U.S. tons) of waste has been disposed at ERDF, which equates to consumption of approximately 89.1% of the currently constructed disposal volume. According to the design of ERDF, the facility has the ability to be expanded as needed. As a condition of the DAS, disposal operations within ERDF must be in accordance with the waste acceptance criteria (ERDF-00011) that provide specific radionuclide disposal limits, waste form restrictions, and descriptions of acceptable waste packages in compliance with the requirements of DOE M 435-1.1. The ERDF waste acceptance criteria stipulate that waste destined for disposal at ERDF be controlled based on source, physical form, and contaminant concentration and activity levels. There have been no changes to the physical configuration of ERDF or to the waste forms (source, physical form, etc.). No new unreviewed disposal question screenings or evaluations have been generated in this reporting period. Therefore, there are no noted impacts to the PA, CA, DAS, or RWMB resulting from the evaluations and screenings. Sum-of-fractions analysis shows that the disposed inventory meets both the concentration and inventory threshold requirements. A sum-of-fractions value is computed for ERDF sensitive radionuclides contributing to the groundwater pathways and the air pathway inventory limits. Computed values were 5.50E-04 and 3.30E-03, respectively. The disposed waste inventory remained well under the PA imposed limits, as shown in Table 4 and Table 5 in the main text of this report. Required monitoring was satisfactorily completed during the fiscal year reporting period. Compliance with performance objectives were met as each of the reported values were well below the established limit. Overall, there are no substantive changes to primary PA assumptions or changes to the PA analysis conclusion; therefore, compliance with DOE O 435.1 and the DAS is maintained.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Integrated Design of Ultradurable, Low CO 2 Alternative Binder Systems via Machine Learning

This ARPA-E project developed a machine learning tool to use in formulation design of cementitious binders for concrete having 50% less embodied CO 2 and possessing twice the durability compared to concrete based on ordinary portland cement (OPC) binders. The technical focus was on limestone/calcined clay cement (LC3), the leading replacement for OPC. Here, hierarchical machine learning (HML) was used to model the flowability, set time, strength, and durability of LC3 concrete. This methodology identifies latent variables derived from domain knowledge and empirical models that develop an accurate model for a response surface from small datasets. For the flowability metric, particle packing was a dominant factor, while strength and durability were both strongly determined by the fraction of metakaolin and the water:solids ratio. Under constraints of water:binder ratio, material performance metrics, embodied CO 2 , and cost per tonne of OPC, multi-objective optimization was used to design binders parameterized by the mineral composition replacing OPC, particle size distributions, and water:solids ratio. The trained algorithm was able to predict multiple mixes met these performance criteria, and experimental testing validated the predictions. The model demonstrated here is relevant for North America, where pure kaolin deposits are found broadly. The approach is being taken forward into commercial application by Ansatz AI, a materials informatics company founded by PI Washburn and co-PI Poczos. Through collaborations with the cement and concrete industry, and funding from SBIR programs, a commercial software will be developed in future research.

36 MATERIALS SCIENCE↗

Solar Energy Development on the FSST Reservation

FSST undertook this project to install PV solar with the goal of reducing retail power consumption at 11 Tribal buildings. A combined total of 318kW has been installed over these sites and power savings are being recorded on a regular basis. The Tribe entered into the project with several specific objectives that made this a unique effort. First of all, all of the systems were installed by Tribal maintenance personnel with some technical support. This model had been developed with previous projects that Nebraska Renewable Energy Systems (NRES) had completed and had shown great success. This approach helped to ensure we met the DOE goal of ‘building capacity’ within the Tribe. There was some skepticism about this model in Flandreau at the onset of discussions, but the excellent final results spoke for themselves! A second objective was to overcome the sore lessons that were learned after FSST invested in early deployment of pole mounted solar systems that were not sturdy enough for SD winds. It was a very courageous decision to move forward again with solar pole mounts (and other types) in this very high wind area. We shall report that the Tribe was fully successful in achieving what they set out to do there. The final major objective was to deploy the PV Solar systems in such a way as to integrate them into their surroundings wherever possible. In some cases the mounting choice was clear, but in several locations, the system was designed to be a functional and aesthetically enhancing part of their surroundings. These elevated systems allowed the PV system to act as a shade structure and create useful space under them as well as making power. FSST had these elevated ground mount systems specially designed for our application by Ironridge and were rated for the tough winds of South Dakota (120MPH+).

14 SOLAR ENERGY↗

Performance Assessment for the Environmental Restoration Disposal Facility (Annual Status Report FY 2021)

DOE O 435.1 and DOE M 435.1-1 require that a determination of continued adequacy of the performance assessment (PA) (CP-60089), composite analysis (CA), and disposal authorization statement (DAS) be made on an annual basis, and that the determination must consider the results of data collection and analysis from research, field studies, and monitoring as well as the need to update any Radioactive Waste Management Basis (RWMB) documents. Beginning in 1996, the Environmental Disposal Facility (ERDF) started accepting low-level radioactive, hazardous, and mixed wastes that were generated during cleanup activities at the Hanford Site. ERDF is composed of a series of cells or disposal areas and can accommodate future design expansions as needed. Currently, there are eight cells and two supercells in ERDF. Each supercell is the equivalent of two cells. During this reporting period (fiscal year 2021, extending from October 1, 2020, through September 30, 2021), approximately 9.14E+04 metric tons (1.01E+05 U.S. tons) of waste was disposed at ERDF. From ERDF inception through September 30, 2021, approximately 16.9 million metric tons (18.9 U.S. tons) of waste has been disposed of at ERDF, which equates to consumption of approximately 88.7% of the currently constructed disposal volume. According to the design of ERDF, the facility has the ability to be expanded as needed. As a condition of the DAS, disposal operation within ERDF must be in accordance with the waste acceptance criteria (ERDF-00011) that provide specific radionuclide disposal limits, waste form restrictions, and descriptions of acceptable waste packages in compliance with the requirements of DOE M 435-1.1. The ERDF waste acceptance criteria stipulate that waste destined for disposal at ERDF be controlled based on source, physical form, and contaminant concentration and activity levels. There have been no changes to the physical configuration of ERDF or to the waste forms (source, physical form, etc.). No new unreviewed disposal question screenings or evaluations have been generated in this reporting period. Therefore, there are no noted impacts to the PA, CA, DAS, or RWMB resulting from the evaluations and screenings. Sum-of-fractions analysis shows that the disposed inventory meets both the concentration and inventory threshold requirements. A sum-of-fractions value is computed for ERDF sensitive radionuclides contributing to the all pathways and the air pathway inventory limits. Computed values were 7.63E-03 and 1.49E-03, respectively. The disposed waste inventory remained well under the PA imposed limits, as shown in Table 4 and Table 5 in the main text of this report. Required monitoring was satisfactorily completed during the fiscal year reporting period. Compliance with performance objectives were met as each of the reported values were well below the established limit. Overall, there are no substantive changes to primary PA assumptions or changes to the PA analysis conclusion; therefore, compliance with DOE O 435.1 and the DAS is maintained.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nanoparticle Catalyst Formation and Subsequent Sintering: Size-Distribution Fundamental Understanding and Catalyst Control via Mechanism-Enabled Population Balance Modeling (Final Report)

The challenge of elucidating the chemical mechanisms by which nano- and other particles form, and then using those mechanisms to understand, analyze, and ideally predict particle-size and particle-size distributions, was undertaken. Thanks to multi-year, longer-term DOE support each of these challenges was successfully met. The community is now able to both predict, and control in cases where the underlying mechanism of particle formation has been determined, the key PS and PSD that are, in turn, critical properties that strongly influence the catalytic and other physical properties of nano- and larger particles across nature.

36 MATERIALS SCIENCE↗

Argonne Leadership Computing Facility: 2021 Operational Assessment Report

This Operational Assessment Report describes how the Argonne Leadership Computing Facility (ALCF) met or exceeded every one of its goals for calendar year (CY) 2021 as an advanced scientific computing center. In CY 2021, the ALCF operated its production resource, Theta, an Intel-based Cray XC40 system (11.7-petaflops) augmented with 24 NVIDIA DGX A100-based nodes (3.9-petaflops) that supports diverse workloads, integrating data analytics with artificial intelligence (AI) training and learning in a single platform. In 2021, we began deploying Polaris, our newest 40- petaflops system, and augmented this powerful testbed system with an additional 28 nodes to support the integration of real-time experiments and HPC resources. We also deployed our two largest storage systems yet, named Grand and Eagle, that will bring new services to our users and will power data-driven research for years to come. Last year, Theta delivered a total of 20.8 million node-hours to 16 Innovative and Novel Computational Impact on Theory and Experiment (INCITE) projects and 7.2 million node-hours to ASCR Leadership Computing Challenge (ALCC) projects (32 awarded during the 2020–2021 ALCC year and 17 awarded during the 2021–2022 ALCC year), as well as substantial support to Director’s Discretionary (DD) projects (5.5 million node-hours). As Table ES.1 shows, Theta performed exceptionally well in terms of overall availability (95.1 percent), scheduled availability (99.4 percent), and utilization (98.1 percent; Table 2.1). As of the submission date of this document, ALCF’s user community has published 249 papers in high-quality, peer-reviewed journals and technical proceedings. At the 2021 International Conference for High Performance Computing, Networking, Storage and Analysis (SC’21), Argonne researchers won two HPCwire Readers’ Choice Awards and were part of a Gordon Bell Prize finalist team recognized for developing an AI-enabled, multi-resolution simulation framework for studying complex biomolecular machines. Their framework was used to observe the SARS-CoV-2 replication-transcription machinery in action, by directly integrating experimental data. ALCF also provided a comprehensive program of high-performance computing (HPC) support services to help our community make productive use of the facility’s diverse and growing collection of resources. We are now entering the exascale era, with exascale machines being planned for national laboratories across the country, including Aurora at Argonne National Laboratory (Argonne) in 2023. ALCF researchers have been leading and guiding numerous strategic activities that will push the boundaries of what’s possible in computational science and engineering and allow us to deliver science on day one.

97 MATHEMATICS AND COMPUTING↗

Stable Catalysts for Combined Dry and Steam Reforming of Methane and Carbon Dioxide

The specific aim of this project is to develop a comprehensive understanding of cheaper and more stable methane and carbon dioxide reforming catalysts with an optimal introduction of steam to reduce carbon deposits that typically prevent the catalytic systems from transferring to commercial implementation. The work was proposed as a two-year project with the end goal of to show a reliable catalyst system run for at least 400 hours at temperatures less than 800 °C with less than 5% loss of activity of the catalyst and a carbon monoxide to hydrogen product ratio of at least 1:1. The project went for one-year and met the end of year milestone by developing two strategies (use of a cerium co-catalyst and introducing 5% water) that reduced the carbon deposition rates by at least 20% relative to the baseline 10% NiMgAlO methane reforming of CO 2 at < 800 °C in order to shown technical feasibility of the concept.

36 MATERIALS SCIENCE↗

Development of a Microwave Quantum Sensing Capability

The geopolitical world is at the beginning of a quantum renaissance. Technology has reached a level of sophistication that allows the probing of a new world that operates using a different set of rules marked by quantum entanglement, superposition, and the no-cloning theorem. If we can explore this new world and its counterintuitive rules, we may be able to leverage them to build powerful tools for a wide range of applications, including enhanced encryption, computation, and sensing. Some entities have invested early and heavily in exploring this frontier: China has demonstrated quantum teleportation between a ground station and an orbiting satellite; Google recently met a computational milestone known as quantum supremacy, in which a quantum computer solves a problem that would take a classical computer an infeasible amount of time to solve. While great strides have been made, the early progress has caught many entities off guard. The scope of this project leverages an existing investment in a dilution refrigerator strategically chosen to position Pacific Northwest National Laboratory (PNNL) for a future in low-temperature microwave quantum sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

HEPA Filter Age Evaluation Report

In 2020, PNNL completed a literature search for high-efficiency particulate air (HEPA) filter age information. HEPA filters are used in many operations to remove particulate matter from effluent exhaust streams. They are thought to degrade over time both during proper storage and during normal operational service; however, the rate at which the filters degrade remains unknown. This brings into question if age is an adequate indicator of HEPA filter performance. Data from six previous reports were obtained from the literature search and combined to create a data set of 1600 operating filters. Filter usage was identified from multiple facilities. The various types of filters (e.g., axial flow, self-contained, and standard 24 x 24 x 11.5 inches; and both separator and separatorless) reported were constructed to the requirements Section FC (HEPA Filters) or Section FK (Special HEPA Filters) of the American Society of Mechanical Engineers AG-1 code. Filters were presumed to have continuously met the operational criteria and in particular passed both annual efficiency tests and annual DP measurements. The environmental conditions within the exhaust system were also assumed adequate for long-term filter operation. The data, by the nature of the reports, excludes rejected filters from quality assurance evaluations, intake, or installation testing. The collective data set shows over half of were operating past the current 10-year Department of Energy (DOE) limit. Data was evaluated for age lifetime using a linear trendline, survival function, probability functions, and failure rate; financial impacts were also addressed. This report supports the notion that HEPA filters can operate safely and efficiently under proper maintenance well past the 10-year lifetime established by DOE. Using the results of the four age evaluation approaches, they collectively point to the reasonableness of an operating HEPA filter lifetime of 20 years. The results are not necessarily definitive, but nevertheless, they are promising. The analysis provides reasonable assurance that when implemented using a graded approach with well-defined performance and operational requirements, extending the service life for HEPA filters beyond 10 years is low risk.

42 ENGINEERING↗

U.S. State Renewables Portfolio & Clean Electricity Standards: 2023 Status Update [Slides]

This report provides an overview and status update on U.S. state renewables portfolio standards (RPS) and has been expanded from previous editions to also cover 100% clean electricity standards (CES) adopted by a growing number of states. The report, published in slide-deck form along with accompanying data files, describes recent legislative revisions, key policy design features, compliance with interim targets, past and projected impacts on clean electricity development, and compliance costs. The 2023 edition presents historical data through year-end 2022 and projections out to 2050. Key trends from this edition of the report include the following: -Evolution of state RPS and CES programs: States continue to refine and revise their RPS policies, often by adopting higher targets and/or broader CES policies. Among the 29 states plus DC with an RPS, 16 states have RPS targets of at least 50% of retail sales, and 17 states have a 100% CES or RPS target. -Historical impacts on renewables development: Roughly half of all growth in U.S. renewable electricity (RE) generation and capacity since 2000 is associated with state RPS requirements, though that percentage has declined in recent years, representing 30% of all U.S. RE capacity additions in 2022. Within some regions, particularly the Northeast and Mid-Atlantic, RPS policies play a more central role in motivating RE growth. -Future RPS and CES demand and incremental needs: RPS and CES policies will require roughly 300 terawatt-hours (TWh) of additional clean electricity supply by 2030 and 800 TWh by 2050, requiring total U.S. non-hydro RE generation to reach 28% of electricity sales by 2050 (compared to 17% today). This amounts to roughly one-quarter of EIA’s projected RE growth through 2050. -RPS target achievement to-date: States have generally met their interim RPS targets in recent years, with only a few exceptions reflecting unique, state-specific issues. Most CES targets are not yet in force. -Renewable energy certificate (REC) pricing trends: Prices for NEPOOL Class I RECs remained at roughly $\$40$ /MWh over the past year, just below alternative compliance payment (ACP) rates in the larger state markets, while PJM Tier I REC prices continued to rise, reaching $\$30$ /MWh by year-end. Prices for solar RECs (or SRECs) remained relatively stable, and continue to exhibit wide variation across states, with the highest prices ($\$200-450$ /MWh) in NJ, MA, and DC. -RPS compliance costs: RPS compliance costs average roughly 3.5% of retail electricity bills across RPS states, though vary widely from state to state, with the highest costs (8-12% of retail bills) in states with solar carve-outs and high SREC prices.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗