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DOE OSTI2023

National Ignition Facility Opacity Time Resolved Spectrometer Systems Engineering Final Project

The National Ignition Facility (NIF) is the world’s largest and most energetic laser facility. The NIF system is designed to produce high energy density (temperature and pressure) conditions through the application of its 192 laser beams. One of the users of NIF is the opacity platform developed to study the opacities at temperatures and densities relevant to the solar interior and stellar evolution. The platform was developed to study iron (Fe) opacity at temperatures relevant to the solar interior. The opacity campaign uses spectrometers to gather data. Spectrometers utilize crystals to produce x-ray spectra that are recorded on time-integrated and time-resolved detectors. The opacity spectrometer (OpSpec) currently fielded and in use at NIF uses a time integrated film channel to collect data. The opacity spectrometer time resolved (OpSpecTR) will utilize novel hCMOS detectors to capture time resolved images of spectra of interest. The key stakeholders identified for OpSpecTR included the physicists responsible for OpSpec and OpSpecTR, the Target Area Science and Engineering (TASE) department at NIF, the NIF and Photon Science (NIF & PS) Opacity program, the Nevada National Security Site (NNSS) Physics and Engineering program, the Sandia hCMOS manufacturing and testing program, and the Los Alamos National Laboratory (LANL) program sponsor. The Target and Experimental Operations (TEXOPS) was identified as a key stakeholder because the group includes the individuals that will physically interact with the OpSpecTR system as it participates in NIF experiments. The opacity platform collects data in a unique orientation relative to the existing diagnostics fielded at NIF. The existing infrastructure at NIF uses a diagnostic manipulator (DIM) to insert the diagnostic near the target chamber center to collect data during a NIF shot. Existing diagnostics collect data through the center line of the DIM axis and collect relevant data perpendicular to this axis. The opacity platform requires crystals mounted in a specific orientation which requires data collection parallel to the DIM axis. This deviation from standard NIF practices was a key factor in developing requirements.

42 ENGINEERING↗

DOE OSTI2026

A Unified Workflow for Sensitivity-Based Kinetic Analysis in Microkinetic Models

Degrees of rate control (DRC), apparent activation energies, and apparent reaction orders are established local sensitivity diagnostics for interpreting microkinetic models, but applying them routinely to large mechanisms often requires substantial reaction-specific bookkeeping, perturbation design, and postprocessing. Here, in this study, we present a unified derivative-based workflow that evaluates these quantities from a single compiled reaction-network model and target-rate definition. For any user-provided microkinetic model, the workflow compiles the mechanism into stoichiometrically consistent mass-action rate equations, solves the surface dynamics, and uses automatic differentiation to compute sensitivities with respect to rate constants, temperature, and gas partial pressures. By combining their calculations in the same framework, the workflow clearly demonstrates the relationships between different DRCs and the apparent activation energy. Using existing examples of propylene partial oxidation and methane oxidation on Pd(100), we verify expected transient redistribution of rate control, distinguish net Campbell DRCs from one-sided directional sensitivities, and show how apparent activation energy can be reconstructed either from one-sided DRCs or from state-based DRCs while critical mechanistic insights are obtained consistently. In the methane oxidation case, a pathway-subset test further illustrates how a simplified mechanism preserves key kinetic signatures of a full model, showing the potential of our user-friendly tool for model construction beyond kinetic analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Demonstration of μCHP in Light Commercial Hot Water Applications

Internal combustion engine driven combined heat and power (CHP) systems produce power while the waste heat is recovered and used for another purpose. For µCHP systems (less than 50kWe output) overall efficiencies can reach over 90% for products currently on the market throughout the world. On a fuel basis this offers an advantage over using grid-based power and another fuel for heat. Additionally, the cost of natural gas on an energy unit basis is significantly less expensive than electric power. This difference can lead to substantial savings for the end user of a CHP system. In some parts of the world, particularly Germany and Japan, µCHP has become a common part of the heat and distributed generation equipment mix. Market analysis conducted in 2012 showed that in North America there is potential of a 5,300 units per year market for µCHP, resulting in an annual energy savings of approximately 13.5 TBtu and more than $84 million in annual customer savings. However, µCHP still has not seen much market penetration in North America. This study helps to identify some of the reasons why, address roadblocks that still need to be overcome and provide experience to established best practices. Nine commercial sites were initially identified (fitness club, surgical center, senior community, resort and spa, commercial laundry, two multi-family housing, restaurant and manufacturing facility). Systems from two different manufacturers were installed at five sites total, but due to unforeseen circumstances, only three of those sites were finally commissioned: test data were collected by Oak Ridge National Laboratory. While not all systems were installed as intended, the project resulted in the following key findings: Micro combined heat and power is an unfamiliar technology for building owners and plumbing and electrical contractors that serve the buildings most suited for µCHP. Manufacturers will need to be aggressive in providing training and providing broad support to successfully bring the technology to market.; The proper integration of µCHP into other building systems is the most critical part of a successful installation. Manufacturers will need to be able to provide the expertise to train, advise and support the mechanical contractors during the design and installation of the heat integration system.; Regulations governing µCHP varies across the country. There are a few UL standards (UL 2200 and UL 1741) that apply nationally. Emissions are governed by EPA except in California where the California Air Resources Board (CARB) has established their own standard. Requirements that dictate installation and interconnection are dependent on local building codes and local utility processes and requirements. Some out of date building codes do not offer clear guidance for these requirements, leading to confusion. This makes developing training and determining broadly applicable best practices difficult.; Installation costs of µCHP are a key factor in making an installation successful. It is critical that these costs and all national, state and local regulations be understood and accounted for by all parties involved in the installation before a project is undertaken.; A robust customer service organization is important to meet the needs of the customers. These systems require annual maintenance and service and local capability is needed to keep costs inline.

03 NATURAL GAS↗

DOE OSTI2020

Irradiation and PIE of alloys X-750 and XM-19 (EPRI Phase III)

The Nuclear Science User Facilities (NSUF) based at Idaho National Laboratory (INL), along with the Electric Power Research Institute (EPRI), formed an agreement to test representative alloys used as reactor structural materials as a pilot program to establish guidelines for future NSUF research programs. This report contains results from the portion of this program established as Phase III (of three phases), entailing irradiation and post-irradiation examination of select alloys typical of boiling water reactor (BWR) internal structural materials. Phases I and II are the subject of separate reports and represent baseline material test results and irradiation experiment design, respectively. The intent of this Phase III research program is to determine properties for the materials of interest after being irradiated at the Advanced Test Reactor (ATR) to three different target fast (E>1MeV) fluences: 5.0 x 10¹⁹ n/cm², 2.0 x 10²⁰ n/cm², and 1.0 x 10²¹ n/cm². These correspond to irradiation damage levels (displacements per atom [dpa]) of approximately 0.08, 0.30, and 1.4 dpa, which represent comparable levels to (a) a previous study which looked at X-750 irradiated to ~1 x 10¹⁹ n/cm², comparable to the lowest fluence; (b) approximately a medium level of fluence for BWR components; and (c) extended life (60 – 80 years) for BWR components. The materials chosen for this research are the nickel-based alloy X-750 and austenitic stainless steel XM-19. A spare core shroud upper support bracket of alloy X-750 was purchased by EPRI from Southern Co., and a section of XM-19 plate was purchased by EPRI from GE-Hitachi. These materials were sectioned at GE Global Research Center (GE-GRC), and parts were provided to INL for use in this pilot project.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Irradiation and PIE of alloys X-750 and XM-19 (EPRI Phase III)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

National Virtual Biotechnology Laboratory: Report on Rapid R&D Solutions to the COVID-19 Crisis

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply short ages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. Within months, NVBL teams produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment (PPE), creating nearly 1,000 new jobs. They used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported U.S. Food and Drug Administration (FDA), Centers for Disease Control and Prevention (CDC), and U.S. Department of Defense (DoD) efforts to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. NVBL teams also studied how to control indoor virus movement to minimize uptake and protect human health. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development (R&D) solutions. As the fight against COVID continues, sustained efforts are needed to confront this pandemic as well as future threats. Examples include: 1) Establishing “supply chains on demand” to meet emergency production needs by leveraging the materials and manufacturing expertise of DOE national laboratories and developing advances in electronics, sensing, robotics, and automation capabilities; 2) Improving the speed and robustness of drug discovery by integrating experimental platforms with DOE’s computational and experimental user facilities, which provide unique resources to support the discovery of high-potential therapeutic agents; 3) Protecting public, environmental, and animal health by developing new testing protocols and instrumentation adaptable to diverse sample types (both physiological and environmental) to quickly detect a wide range of pathogens and monitor other biorisks; 4) Supporting near-real-time data needs of decision-makers at the local, regional, state, and national levels by advancing data curation, analysis, and modeling using artificial intelligence and new data science tools for managing and evaluating large diverse datasets; 5) Harnessing DOE’s expertise in environmental modeling to design rooms and air handling for offices, classrooms, restaurants, and other structures to minimize biorisk transmissions. Going forward, NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, the Office of Science will continue to be an integral component of agency wide efforts to prepare for and respond to biorisks and other crises.

42 ENGINEERING↗

DOE OSTI2021

The FEWSION for Community Resilience (F4R) Process: Building Local Technical and Social Capacity for Critical Supply Chain Resilience

Local business leaders, policy makers, elected officials, city planners, emergency managers, and private citizens are responsible for, and deeply affected by, the performance of critical supply chains and related infrastructures. At the center of critical supply chains is the food-energy-water nexus (FEW); a nexus that is key to a community’s wellbeing, resilience, and sustainability. In the 21st century, managing a local FEW nexus requires accurate data describing the function and structure of a community’s supply chains. However, data is not enough; we need data-informed conversation and technical and social capacity building among local stakeholders to utilize the data effectively. There are some resources available at the mesoscale and for food, energy, or water, but many communities lack the data and tools needed to understand connections and bridge the gaps between these scales and systems. As a result, we currently lack the capacity to manage these systems in small and medium sized communities where the vast majority of people, decisions, and problems reside. This study develops and validates a participatory citizen science process for FEW nexus capacity building and data-driven problem solving in small communities at the grassroots level. The FEWSION for Community Resilience (F4R) process applies a Public Participation in Scientific Research (PPSR) framework to map supply chain data for a community’s FEW nexus, to identify the social network that manages the nexus, and then to generate a data-informed conversation among stakeholders. F4R was piloted and co-developed with participants over a 2-year study, using a design-based research process to make evidence-based adjustments as needed. Results show that the F4R model was successful at improving volunteers’ awareness about nexus and supply chain issues, at creating a network of connections and communication with stakeholders across state, regional, and local organizations, and in facilitating data-informed discussion about improvements to the system. In this paper we describe the design and implementation of F4R and discuss four recommendations for the successful application of the F4R model in other communities: 1) embed opportunities for co-created PPSR, 2) build social capital, 3) integrate active learning strategies with user-friendly digital tools, and 4) adopt existing materials and structure.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

5ω Optical Thomson Scattering Report

The 5ω Optical Thomson Scattering system on the National Ignition Facility (NIF) is a diagnostic designed to measure temporally and spatially resolved plasma conditions in Inertial Confinement Fusion (ICF) Hohlraums. The system was proposed in 2014 and a phased approach to implementation was developed. In phase one the collection system was designed, built, and fielded on the NIF to be used for 3ω Thomson scattering measurements and background measurements near 211 nm (5ω. The initial commissioning experiment for the collection system was completed in Oct. 2016. Commissioning of the collection system continued through 2017 and the system is now fielded for a range of user experiments and regularly produces publication quality data. A dedicated 5ω probe laser was designed and built to allow Thomson scattering measurements in the presence of 2 MJ of 3ω drive energy. Due to scattered light (spectral reflections, laser-plasma instabilities, and unconverted drive energy) from the 3w drive lasers typical wavelengths (2ω and 4ω) fielded at other laser facilities like the Nova Laser Facility and the Omega Laser Facility were unable to meeting the signal to background requirements in design studies. A 10 Joule 5ω probe was proposed as a solution that met requirements. This 10 Joule laser was more energetic than previously fielded 5w lasers by 2-3 orders of magnitude. As part of a risk reduction plan, phase two of the project was to develop a 1 Joule, 5ω laser to demonstrate conversion efficiency >20% from 1ω to 5ω and make initial Thomson scattering measurements in the first few nanoseconds of an ICF laser pulse. Initial tests of the 5w conversion were completed at the Laboratory for Laser Energetics (LLE) and produced record 5ω energies. Based on these results from LLE, a 1 Joule, 5w laser system was designed for the NIF in 2018 and commissioning began in 2019. Commissioning of the 5ω laser system continued through 2023 and was eventually paused in Q1 of FY24 due to completing resource constraints. Commissioning of the 5w laser system proved incredibly challenging. Multiple issues were identified during commissioning and resolved, but issues remain. Currently there is not a clear understanding of why 5ω scattered has not been detected on the OTS collection system. Based on offline measurements, calculations, and preshot measurements the system appears to meet all requirements. Potential target physics issues have been investigated and do not appear to be an issue. The current hypothesis is that there is an error in one or more aspects of the offline testing not translating to expected performance when the system is fielded on the NIF. Additional full system testing in-situ utilizing the complete OTS system and NIF target chamber center time is needed to further test potential failure modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Beryllium Isotopes in Rainfall for Stratospheric-Tropospheric Exchange Dynamics Experiment (BIRDIE) (Field Campaign Report)

The Beryllium Isotopes in Rainfall for Stratospheric-Tropospheric Exchange Dynamics Experiment or BIRDIE was a precipitation collection campaign designed to measure cosmogenic isotopes of beryllium in rainfall and other forms of precipitation across the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Southern Great Plains (SGP) atmospheric observatory. Precipitation samples were collected over three weeks (May 21-June 10, 2022) at 11 SGP sites across a 120-km 2 domain in northern and central Oklahoma. The field campaign targeted summertime convection rain events. We aimed to capture any spatial and/or temporal variability in the concentrations of beryllium-10 (10Be) and beryllium-7 (7Be) across the ARM SGP site during these rainfall events. The ratio of 10Be to 7Be (10/7Be) has been shown to be a powerful tracer for transport processes in the stratosphere-troposphere exchange (STE) system (e.g., Koch and Rind 1998). Any observed variability is analyzed to see if it could be linked to STE processes, including overshooting of deep convection clouds that penetrate the lower stratosphere. Six wet weather system events were collected within our three-week span. Five out of six of these rainfall events are classified as moderately to strongly convective. Those events are studied in more detail. The five systems also follow each other over a short period of 11 days. In our rainfall samples we observed spatial and event variability in the concentrations of beryllium-10 and -7 that resulted in variability of 10/7Be ratios. Each weather event appeared to exhibit a unique 10/7Be pattern across the domain that was not directly linked to storm total precipitation amount. To better understand the causes for this spatial variability, cloud characteristics in the domain were looked at to assess cloud type, cloud height, and depth information. We also ran Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model back trajectories to identify possible air mass and moisture origins across our events. Detailed analysis is ongoing. The purpose of this technical report is to provide background on using cosmogenic isotopes as atmospheric tracers, describe the experimental design, and present the beryllium concentration and ratio data. Lastly, we note that BIRDIE coincided with two other deep convection field campaigns in the area: The National Aeronautics and Space Administration (NASA)’s Dynamics and Chemistry of the Summer Stratosphere (DCOTSS) experiment (https://dcotss.org/) centered in Salina, Kansas, and the Targeted Observation by Radars and (uncrewed aerial systems) UAS of Supercells (TORUS) experiment (https://catalog.eol.ucar.edu/torus_2022) across the U.S. Central Plains. Additionally, a Lawrence Livermore National Laboratory ( LLNL) team at DCOTSS attempted to measure 10Be/7Be ratios on aerosols collected in situ in the lower and mid-stratosphere over Kansas using high-altitude balloons. Precipitation samples were also collected on the ground in Salina, Kansas.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Development of the Mobile Systems for Conditioning of Disused Sealed Radioactive Sources in Serbia - 20105

Sealed radioactive sources (SRS) are being used worldwide in the field of medicine, agriculture, industry and research. They can be found in mobile as well as stationary devices. SRS contains radioactive material that is (a) permanently sealed in a capsule or (b) closely bounded and in a solid form. The capsule or material of an SRS should be strong enough to maintain leak tightness under the conditions of use and purpose for which the source was designed, also in case of accidents. In this case only emitted radiation is utilized. Firstly, the hazard from external radiation has to be considered, but the possibility of contamination due to fracture of the capsule should not be disregarded. The radioactive sources are composed of the radiating isotope contained in the filling medium, the single or double isotope holder that partially or totally surrounds the filling medium, the outer cover that contains the parts mentioned above and the capsule closed airtightly by welding or using some other method. The capsule must be tested for leakage periodically. If the SRS is no longer needed (e.g. replaced by a different technique) or it becomes useless for the intended application (e.g. the activity becomes too weak, the equipment containing the source works poorly or becomes obsolete, the source is damaged or leaking) it is considered disused. Disused sealed radioactive sources (DSRS) are typically conditioned and disposed if a facility is available. If the disposal option is not available, conditioned DSRS should be stored under proper conditions. In some cases, the radionuclide(s) in DSRS can be recovered/recycled or the DSRS can be repurposed for other applications. Conditioning of DSRS ensures containment of the radioactive material, provides confinement for leaking sources, provides sufficient radiation shielding, reduces storage/disposal volume by allowing consolidation of multiple sources into a single storage/disposal container, facilitates transport operations and contributes to safety and security as well. Typically, conditioning technologies are deployed either as permanently installed stationary systems in centralized or mobile on-site waste processing facilities, or in a mobile configuration. Centralized stationary facilities provide a single processing location for multiple users that requires transport of the waste to the facility. On the other hand, mobile systems may be provided for the selection and application of the optimum technology for a specific waste stream (such as DSRS) by bringing the process to the point where the waste is generated. In addition, mobile systems could offer additional flexibility by sharing equipment among multiple waste generating sites for processing campaigns that vary in duration, from very short periods to several years. The term 'mobile processing system' refers to any radioactive waste processing system or component which is designed to be transportable and which is not considered permanently installed. Two mobile system for conditioning of disused sealed radioactive sources are developed in the Public Company Nuclear Facilities of Serbia. Development of these mobile systems was supported by SRB9005 national project via Technical Cooperation of the IAEA. The first mobile system, built inside the 20 feet ISO container, will be used for conditioning of DSRS category 3 to 5. The second mobile system, built inside the 7 m long vehicle (Iveco Daily Van), will be used for dismantling of ionizing smoke detectors mostly with Am-241 sources. Designs of the mobile systems were defined in cooperation with two companies from Belgium (Belgoprocess and Leniko) and a Croatian company Ekoteh as well as with the support of the IAEA experts. The generic safety assessment and operational procedures for the mobile systems are developed. Based on safety assessment the acceptance criteria and operational limits and conditions are established. Operational procedures include: (a) equipment and material requirements, (b) assembling procedure of the mobile unit, (c) procedure for acceptance of devices for dismantling and conditioning, (d) dismantling procedure for devices to recover the DSRS, (e) characterization of DSRS, (f) encapsulation procedure of DSRS, (g) disassembling procedure of the mobile unit, and (h) keeping records, identification and traceability. In addition, radiation safety, health safety, security and emergency preparedness plans are prepared. The generic safety assessment and operational procedures could be updated with site specific requirements, DSRS inventory, and different needs for future customers. Developed mobile systems could be used in all situations when it is feasible to perform conditioning of DSRS on the spot in the county and worldwide. Development of these mobile units was just the first step to create the Reference Center for Radioactive Waste Treatment and Disused Radioactive Sources Conditioning for Small Facilities which can become a regional training center in the future, and/or as a tool for comprehensive national search and secure programmes. In the next phases development of e-learning platforms and blended learning packages as well as application for the IAEA Qualified Technical Centre (QTC) for the management of DSRS is foreseen. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Markets and Economic Requirements for Fission Batteries and Other Nuclear Systems

Fission Batteries (FBs) are nuclear reactors defined by five characteristics which enable large-scale deployment: cost competitive, standardized sizes for economic mass production, easy installation and removal, secure and safe unattended operation with high reliability. FBs are not defined by technology or power level. Technical and market considerations suggest that most FBs will produce 20 to 30 MWt. This proceedings reports on the outcomes of two workshops that were held in January 2021 to better define markets and economic challenges for FBs. Three major markets were identified. The largest market is the industrial and commercial heat market. There are about 4000 industrial users (excluding utilities) that require more than one megawatt of heat. The number of customers versus size of heat demand was determined. In a low-carbon world there is the potential for many additional customers—including expanded biofuels production and district heat. The second market is for non-grid electricity. This includes co-generation plants that produce heat and electricity for a single customer. The third market is the maritime market with ~100,000 ships worldwide. In the United States, natural gas is the low-cost energy option today and will remain so unless constraints or taxes impact its use. If restrictions on greenhouse gas emissions, the FB competition includes natural gas with carbon capture, biofuels, hydrogen and grid electricity. Natural gas with carbon capture is not economically viable on a small scale. Biofuels may be expensive but may be the economically preferred option for locations with small energy demands of a few megawatts. Hydrogen is a potential competitor with many of the characteristics of natural gas. Grid electricity is not a competitive source of heat. For FBs to be economically competitive, the price of delivered heat must be $20-50/MWh ($6-15/million BTU). The economically competitive range for non-grid electricity is estimated at $70-100/MWh. These electricity prices are competitive with the retail prices of electricity in many parts of the United States for the customer. FBs are not expected to be competitive selling wholesale electricity to the grid. To achieve the aforementioned cost targets for heat and electricity markets, FB designers must (1) maximize the power output within the constraints of a FB (e.g., truck transportability, passive decay heat removal), (2) drastically reduce the size of onsite staff, (3) adopt core designs with low fuel costs (enrichment and fabrication), and (4) develop a system design that is efficiently manufactured in factories. The business case depends upon more than being just a replacement for natural gas. The largest incentives for adoption of FBs is where they create new markets and new sources of revenue. An example is the paper and pulp industry that burns biomass wastes to provide heat and electricity to make paper. An external heat source could meet the demand for heat and electricity by the paper process and enable converting waste biomass into liquid biofuels rather than burning to provide heat. Other markets, such as data centers, are driven by special energy requirements such as extreme reliability. Most customers are not in the energy business but need heat and electricity to produce a product—a manufactured good, education, retail sales (shopping malls), marine transport or some other product. As a consequence, there will be large incentives to lease rather than own FBs. Leasing avoids the regulatory challenges that remain with the owner of the FB. Leasing creates large incentives for FP standardization of sizes and transportability to maintain the value of the FB at the end of the lease—similar to the leasing of jet engines and aircraft. The economic constraints combined with technical constraints suggest competitive FBs will likely have outputs exceeding 10 MWt. There appear to be little incentives for very long-lived reactor cores because such machines require much larger inventories of fuel. Maintenance requirements and the options to provide technology updates may favor shorter lifetimes (~5 years). The assessment is that there is the potential for FBs to be economically viable and play a major role in global decarbonization in three markets: heat, non-grid electricity and maritime applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Meta-analysis of North American Arctic and boreal aboveground biomass datasets: assessing accuracy, dynamics, and similarities

The North American arctic and boreal regions (ABRs) are rapidly warming and experiencing intensifying disturbances. Accurately quantifying aboveground biomass (AGB) is critical for understanding the impacts of these changes on the carbon cycle and for designing climate change mitigation strategies. Several AGB maps have been developed for the North American ABRs, including recent contributions from National Aeronautics and Space Administration’s Arctic-Boreal Vulnerability Experiment (ABoVE) campaign. However, these maps differ widely in training data, methodology, and resulting AGB density estimates. Presently, a comprehensive comparative evaluation is lacking, making it difficult for users to select datasets suited to their research or management needs. Here, in this study, we conducted a comparative analysis of nine AGB density datasets across North American ABRs, specifically for Alaska and Canada. We (1) summarized AGB by ecoregion and Canadian provinces, (2) evaluated their accuracy against field-based measurements, (3) analyzed spatial and temporal similarities among datasets, and (4) assessed their ability to capture disturbance (fire and harvest) impacts on AGB. We found substantial variation in regional and local AGB estimates across datasets, with overall accuracy ranging from R 2 = 0.25–0.62 and Bias% from −47.8% to 69.9% when validated against field plots. Despite these differences, most datasets have comparatively consistent spatial patterns in AGB (r > 0.8 for most cases). In contrast, agreement on the temporal patterns of AGB change is generally low. We found datasets with spatial resolutions ⩽300 m are capable of capturing disturbance impacts on AGB dynamics, though sensitivity varies across products. Our findings and dataset summary provide guidance for selecting appropriate AGB datasets for different applications within our study area. Our analysis also highlights the need to decrease map bias and increase capability to detect temporal change to decrease uncertainty of AGB datasets potentially by using training data which is representative of major plant functional types within the mapped area.

ABoVE↗

DOE OSTI2022

U.S. Department of Energy: National Virtual Biotechnology Laboratory (Technical Report)

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. The NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply shortages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. As part of the NVBL framework, DOE rapidly assembled five project teams to (1) identify new targets for medical therapeutics; (2) develop innovations in testing capabilities; (3) provide epidemiological and logistical support; (4) understand viral fate and transport in the environment; and (5) address supply chain bottlenecks by harnessing extensive additive manufacturing capabilities. Each research team was charged with defining high-impact projects that could be completed in a 6-month sprint while coordinating their developments with academia, other government agencies, and the private sector. Within months, NVBL teams used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported efforts by the U.S. Food and Drug Administration, Centers for Disease Control and Prevention, and U.S. Department of Defense to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. To minimize virus uptake and protect human health, NVBL teams studied how to control indoor virus movement. Researchers also produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment, creating nearly 1,000 new jobs. Through its NVBL framework, DOE has contributed significantly to the nation’s COVID response, demonstrating in only a few months the critical impact of its national laboratories. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development solutions. Going forward, the NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, DOE will continue to be an integral component of agency-wide efforts to prepare for and respond to biorisks and other crises. This technical report describes the goals, progress, and results of NVBL’s five project teams—Molecular Design for COVID-19 Therapeutics, COVID-19 Testing, Epidemiological Modeling, Viral Fate and Transport, and Materials and Manufacturing of Critical Supplies—and lists each team’s publications and research output.

42 ENGINEERING↗

DOE OSTI2025

GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics

Data package for Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon This data is published under a CC0 license. The authors encourage data reuse and request attribution by referencing the below citations for the data packages and associated manuscript. Please cite as: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics. [Data Set] PNNL DataHub. doi: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. MSV000097435: GLBRC soil yearlong incubation 13C-SIP-Lipidomics [Data Set] MassIVE. doi:10.25345/C57659T3K Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon. In Prep This data package consists of compound-specific 13C SIP-lipidomics data from a yearlong tracer incubation experiment designed to investigate microbial lipid persistence in switchgrass bioenergy crop soils. In order to explore how lipid structure may modulate the persistence of C in soil lipids, we leveraged soils from two sites (Michigan - sandy texture, Wisconsin - silty texture) operated by the U.S. Department of Energy-funded Great Lakes Bioenergy Research Center (GLBRC). These sites had comparable climates, identical management practices, but contrasting soil textures, allowing us to assess the variability of lipid accrual or degradation in soils as well as provide insight regarding the degree to which edaphic properties may regulate the retention of soil lipids. Untargeted lipidomics analyses were performed to identify 13C-labeled lipids in the soil microbiome after long-term incubation. Soils were supplemented with 100 micrograms glucose per gram dry soil (99 atom % 13C or natural abundance for paired control) and incubated; samples were collected two months and one year after glucose addition. Lipid extracts (MPLEx) were analyzed by LC-MS/MS and identified using LIQUID. Calculation of isotopic enrichment of lipids was performed by targeted approach using TarMet to quantify lipid isotopologues and IsoCorrectoR to correct for natural abundance isotopes. Contents: Data package contents reported here are the first version and contain downstream analysis files for the raw LC-MS mass spectrometry files (.mzXML) deposited at the MassIVE database repository under accession MSV000097435 (80 experimental runs; 5.85 GB) | MassIVE DOI: 10.25345/C57659T3K. Support files include the additional data download 'Read Me' file containing data descriptor information. Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. Data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location. Available Data Downloads (0.3 GB): "GLBRC soil yearlong incubation 13C-SIP-Lipidomics_readme.txt" - 'Read Me' data package content file (txt) "GLBRC_DataPackage_analysis files" - Data processing files (Rmd) and saved intermediate data processing outputs (rds, csv, xlsx) "GLBRC_13C_lipidomics_dataset.xlsx" - processed data in tabular format (xlsx) Linked Software: LIQUID LC-MS Analysis Software | 10.5281/zenodo.6459462 Lipid Mini-On Software Tools | 10.5281/zenodo.1492803 pmartR Omics Statistical Software | 10.5281/zenodo.6108667 xcms (v4.3.3) TarMet (v1.1.1) IsoCorrectoR (1.24.0) Funding Acknowledgments: This research was supported by an Early Career Research Program award funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (OBER) Genomic Science program under FWP 68292, FWP 07880 and EMSL Exploratory Research Project 51095. A portion of this work was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by OBER and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the DOE under Contract DE-AC05-76RLO1830.

Rempfert, Kaitlin R [Pacific Northwest National La↗

DOE OSTI2023

High-fidelity multiphysics load following and accidental transient modeling of microreactors using NEAMS tools: Application of NEAMS codes to perform multiphysics modeling analyses of micro-reactor concepts

The feasibility of modeling microreactors using high-fidelity models with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tools is investigated in this report. Three overarching questions guided this research: can NEAMS tools readily be applied for high-fidelity multiphysics modeling of different types of transients in microreactor designs; how accurate are the results obtained; and are improvements needed in accuracy or user experience of NEAMS tools, especially considering newly developed capabilities? This work builds upon FY-2022 work, and two microreactor concepts considering heat pipe (HP-MR) and gas-cooled (GC-MR) technologies were further analyzed using high-fidelity multiphysics simulations. The NEAMS tools considered and coupled within the MultiApp environment are Griffin for neutronics, BISON for thermo-mechanics, Sockeye for heat pipe modeling (in HP-MR), SAM for 1D Fluid – 3D solid modeling of coolant channels and system modeling of balance of plant components (in GC-MR), and the SWIFT code for hydrogen redistribution in hydride moderator. The Heat Pipe MicroReactor (HP-MR) concept was further analyzed in FY-2023 to demonstrate the stochastic TRISO failure modeling capability in BISON to check operational limits of the TRISO fuel. A new full-core Gas-Cooled MicroReactor (GC-MR) model was developed based on the initial assembly-model used in Y-2022 and used for steady-state and accidental depressurization transient simulations. Accuracy of the simulations performed was assessed through 1) verification analyses completed on the different physics with code-to-code comparison, and 2) validation of the multiphysics simulations based on modeling of the Kilopower Reactor Using Stirling Technology (KRUSTY) experiment. In FY-2023, the mesh and model of KRUSTY was updated to closely match publicly available data, and the neutronic model was verified and validated against experimental control rod worth measurements. The multiphysics model of KRUSTY was developed and used for steady-state analysis and for modeling reactivity insertion transient. The calculated power increase and stabilization agrees well with experimental data following adjustment in fuel thermal expansion coefficient. As an important component of this project, the ANL team gathered experience with a wide range of NEAMS tools: the MOOSE Mesh System, Griffin, BISON, SWIFT, Sockeye, SAM, Workbench, and the MOOSE MultiApp System, and provided assessment of new capabilities. Noteworthy are the user assessment of the “vapor-only” flow model in Sockeye and development of a multiphysics startup transient in HP-MR unit cell for use as tutorial in Sockeye. The full-core GC-MR model was used for assessment of SAM for balance of plant modeling and for demonstrating the SWIFT code capability for hydrogen redistribution modeling in multiphysics transient analyses. In this process, several bugs/issues were identified and reported to developers. Finally, the assembly GC-MR model developed in FY-2022 coupling Griffin, BISON and SAM through flow blockage and rod ejection transients was published to the National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The Heat Pipe MicroReactor (HP-MR) concept high-fidelity multiphysics coupling of Griffin/BISON/Sockeye in load-following and heat pipe failure transients was also published on the VTB. Those submissions are enabling thorough review of these models as well as wide distribution to industry, regulator, and university users. In this analysis, several new research questions were uncovered, and follow-up analyses are recommended to further improve some models, consider additional transients, and continue development of VTB models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

2020 Exascale Computing Project Annual Meeting (Executive Summary Report)

The Exascale Computing Project (ECP) delivers specific applications, software products, and outcomes on DOE computing facilities. Integration across these elements for specific hardware technologies for exascale system instantiations is fundamental to ECP success. The outcome of the ECP is the delivery of a capable exascale computing ecosystem to provide breakthrough solutions addressing our most critical challenges in scientific discovery, energy assurance, economic competitiveness, and national security. This outcome is not a matter of ensuring more powerful computing systems. The ECP is designed to create more valuable and rapid insights from a wide variety of applications (“capable”), which requires a much higher level of inherent efficacy in all methods, software tools, and ECP-enabled computing technologies to be acquired by DOE laboratories (“ecosystem”). The ECP annual meeting provides a unique opportunity for the core technical expertise in the United States focused on achieving this next plateau of computational science and computing performance to engage in direct discussions on project execution. Face-to-face gatherings in technical communities like this are common and needed for the exchange of scientific ideas and technical performance. The ECP annual meeting stands apart from other technical conferences and meetings in the computing community as it is uniquely and solely focused on the execution of the ECP and the integration of technical activities leading to the creation of the exascale computing ecosystem for the future. The direct interaction of key critical technical staff, who are leaders in their respective fields, and the resulting give-and-take between software, applications, and hardware and the technical co-design therein, is unique and essential to the effective execution of the ECP. The first annual meeting was held in Knoxville, Tennessee, January 31 – February 2, 2017 and brought together, for the first time, a diverse collection of researchers from 16 DOE national laboratories as well as university computer and computational science researchers to discuss shared problems and joint solutions for the development of a capable exascale computing ecosystem. These interactions resulted in focused technical plans and an energized community centered on advances for ECP. The second annual meeting was held in Knoxville, Tennessee, February 5–9, 2018. It included 643 individual thought leaders and performers in application development, software research and deployment, and hardware research and integrators, all of whom are part of the multifaceted, billion dollar HPC community. This meeting provided a platform to discuss and disseminate numerous examples where researchers with common goals and synergistic solutions came together for the first time to deliver tangible results. Additionally, at the 2018 meeting, ECP researchers had the opportunity to digest all US HPC vendor R&D product roadmaps pointing to exascale – not only to learn how their research can play a role, but, more importantly, to influence those roadmaps to ensure successful delivery on DOE applications that will contribute to (if not solve) problems of national interest in national security, science, energy, and health, as well as growing security threats. The third annual meeting was held in Houston, Texas, January 14–17, 2019. With a 19% increase in the number of registrations (768 people), and the change in location, the third annual meeting was considered the most impactful of the three at the time. The new website provided a better platform for the dissemination of the content, the new venue as a meeting hotel instead of a conference center facilitated interactions and discussions after event hours, and the addition of an award-winning mobile event conference app (Whova) transformed dramatically the attendee experience at the event. This fourth annual meeting was held in Houston, Texas, February 3-7, 2020. This meeting had an increase in the number of attendees for a total of 824 people registered (782 attendees) and included numerous enhancements based on feedback and lessons learned from previous meetings, some of which are listed here: Improved quality of the sessions, their material and the whole program.; Had more industry participation and addition of external collaborators from overseas.; Published the full agenda earlier to better accommodate attendance and travel plans based on schedule.; Centralized all sessions in one venue.; Provided additional hotels and room blocks for the attendees.; Improved communication with the audience (links, material, directions, notifications, etc.) to go paperless.; Enhanced side meeting scheduling, management and user experience.; Made available additional space and tables for impromptu meetings and side discussions.; Improved IT and A/V solutions for speakers. In addition, our final survey captured the following points as opportunities for improvement in future meetings: consider a different meeting location that is more pedestrian friendly, reduce talks during working meals to allow more collaboration and informal time, adapt the agenda to acknowledge attendees from different timezones, consider recording some of the tutorials and/or sessions to share broadly with the HPC community, have a larger poster room, provide additional power strips, and improve the WiFi.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Physics Division Strategic Plan Fiscal Years 2020-2024

The vision of the Physics Division (PHY) at Argonne National Laboratory is to continue enhancing its role as a world-leading institution in basic nuclear physics research and its applications. Key to this vision is for PHY to continue to safely and effectively operate and evolve the capabilities of the Argonne Tandem Linac Accelerator System (ATLAS) facility to best serve its users. ATLAS is the Department of Energy (DOE) accelerator facility for low-energy nuclear physics research. The research carried out by PHY covers many themes in contemporary science but can be distilled into five areas of focus. These themes are interconnected, with continuously evolving synergies between the various groups and facilities in PHY and the broader Laboratory. This five-year strategic plan serves to illustrate our current capabilities and new directions related to these five areas of focus (ATLAS also develops an independent strategic plan): Accelerator research and design. The goal of this theme is to design, fabricate, test, and implement novel accelerator systems, with a focus on high-intensity ion and electron systems. These R&D activities have led to enhancements in the ATLAS accelerator system. Among others, the division’s accelerator systems are in use or planned for use at Fermilab, the Advanced Photon Source, and in a broad variety of applications at the Facility for Rare Isotope Beams (FRIB). Atom trapping and fundamental symmetries. The goal of this theme is to explore and exploit the uses of advanced laser cooling and trapping techniques to manipulate atoms. There are three main areas of focus. First is in the application of the atom trap trace analysis (ATTA) technique for age determination of groundwater and ice by using radio-krypton dating. The next two trapping-based programs involve tests of fundamental symmetries in nature: the cooling and trapping of radium-225 with the aim of determining limits on an observation of its electric dipole moment and precision measurements of the beta decay properties of helium-6 to set limits on the tensor coupling constant. This is complemented by measurements of similar properties in lithium-8 and boron-8. Nuclear astrophysics. The goal of this theme is to enhance our understanding of how elements are created in the universe via explosive nucleosynthesis and how stars evolve. To meet the challenges of this theme, many of the capabilities of ATLAS are being enhanced, including the development of new beams through a new in-flight separator (RAISOR) and the anticipated neutron-generator upgrade of the Californium Rare Isotope Breeder Upgrade facility (nuCARIBU). These are coupled to state-of-the-art instruments such as the Canadian Penning Trap, Helical Orbit Spectrometer, Gammasphere, GRETINA, Multi-Sampling Ionization Chamber, the Fragment Mass Analyzer, and Argonne Gas-filled Fragment Analyzer, and a new low-background experimental area for decay studies. Nuclear structure. The goal of this theme is to understand the structure of nuclei, both stable and radioactive, in terms of single-particle properties, their shapes, and the dynamics governing reactions between them. These include questions such as what are the limits of nuclear stability and what are the properties of super heavy nuclei. As with the nuclear astrophysics theme, the capabilities of ATLAS, guided by the ATLAS user community, are continuously being enhanced to this end. The Division has strategic initiatives to play a leading role in the development of instrumentation and research programs at the FRIB. Quantum chromodynamics (QCD) and hadron physics. The goal of this theme is to lead major research programs focused on revealing the quark and gluon structure of protons, neutrons, nuclei, and short-lived mesons and baryons. These involve major programs at Jefferson Lab, Fermilab, and smaller facilities. They are complemented by theoretical endeavors centered on the question of how hadrons and their properties emerge from QCD. Out of these activities arise strategic initiatives to play a major role in the forthcoming Electron-Ion Collider (EIC).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Herbaceous Feedstock 2022 State of Technology Report

The U.S. Department of Energy promotes production of advanced liquid transportation fuels from lignocellulosic biomass by funding fundamental and applied research that advances the state of technology (SOT). As part of its involvement in this mission, Idaho National Laboratory completes an annual SOT report for nth-plant and 1st-plant herbaceous biomass feedstock logistics. The purpose of the SOT is to provide the status of feedstock supply system technology development for herbaceous biomass to biofuels relative to technical targets and cost goals from specific design cases, based on data and experimental results. Although conventional feedstock supply systems form the backbone of the emerging biofuels industry, they have limitations that restrict widespread implementation on a national scale. To meet the demands of the future industry, the feedstock supply system must shift from the conventional system to what has been termed “advanced” supply systems. In advanced designs, a distributed network of aggregation and processing centers, termed “depots,” are employed near the points of biomass production (i.e., the field or forest) to reduce feedstock variability and produce feedstocks of a uniform format, moving toward biomass commoditization. The 2022 Herbaceous SOT is part of a vision of achieving an implemented advanced feedstock supply system, which produces a stable, tradable commodity at the decentralized distributed depot. It utilizes feedstock fractionation by incorporating technologies that can separate the biomass into its anatomical fractions (leaves, husks, stems and cobs) to reduce impurities and produce fractions that satisfy downstream quality considerations. By using a series of air classification steps, this strategy can reduce the extrinsic ash in corn stover and produce enriched tissue fractions that can be blended to a conversion specification or converted individually in optimized biochemical conversion campaigns. Additionally, a majority of the leaves (which do not meet the quality specification) are separated out early and can be supplied to alternate markets. The 2022 Herbaceous SOT incorporates an advanced biomass fractionation and processing system to produce pellets enriched tissues from three-pass corn stover. The resulting enriched pellets are delivered to the biorefinery individually where they can be blended to a specification or converted in campaigns where the conditions are optimized for each tissue. Unused fractions can be sent to a a midstream market or to a different conversion process that is better suited to their properties to offset the cost of the delivered feedstock. The main benefits from the proposed system can be summarized as: (1) $6.86/dry ton (2016$) lower cost for the air classification due to elimination of the requirement to discard the high ash lights fraction; (2) $1.56/dry ton lower delivered cost by selling the unsuitable leaf fraction into the feed market as a midstream co-product (assuming a selling price that is 11% higher than their cost of production); (3) 0.98% increase in carbohydrate content (from 60.16% to 61.14%); and (4) 0.97% decrease in ash content (from 6.00% to 5.03%) compared to the 2021 Herbaceous SOT. Overall, the 2022 nth-plant Herbaceous SOT predicts a modeled delivered feedstock cost of $78.64/dry ton (2016$) if it is assumed that the enriched leaf fraction is sold at its production cost; this is a slight increase of $0.43/dry ton increase from the 2021 Herbaceous SOT nth-Supply case cost. The increased cost derived from a $0.38/dry ton increase in transportation and handling cost to procure more biomass (to replace the enriched leaf fraction that was not delivered to the biorefinery. The total preprocessing cost was $0.27/dry ton higher than the 2021 result because of updates to energy consumption, purchasing price and dry matter loss data for the rotary shear ($3.00/dry ton increase) and the pelleting mill ($4.52/dry ton increase). The data utilized were generated in pilot-scale tests in the Biomass Feedstock National User Facility (BFNUF) at INL and at Forest Concepts, including tests for rotary shear and pelleting of the air classified fractions. A greenhouse gas emissions analysis was performed by Argonne National Laboratory using the most up to date version of the Greenhouse Gases, Regulated Emissions, and Energy use in Transportation model (GREET®). The analysis showed an increase of 17.34 kg CO2e/dry ton from the 2021 SOT (67.71 kg CO2e/ton in the 2021 Herbaceous SOT to 85.05 kg CO2e/ton in the 2022 Herbaceous SOT). The net increase is primarily attributed to increased energy consumption in pelleting mill.

09 BIOMASS FUELS↗