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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantifying CO 2 Plume Stabilization at Carbon Storage Projects, North Dakota, USA

This study presents an approach for quantifying when injected carbon dioxide (CO 2 ) stabilizes pursuant to carbon capture and storage (CCS) project permitting and site closure requirements. The distribution of mobile-phase CO 2 (CO 2 plume) will evolve within the storage reservoir during and after injection through both physical and chemical trapping mechanisms. CCS policies generally agree that the CO 2 plume’s migratory behavior in post-injection should demonstrate nonendangerment to the environment but do not provide specific guidance on how to meet the definition of plume stabilization, generating some uncertainty for operators. Plume stability herein means the CO 2 plume 1) changes size minimally and predictably in the storage reservoir such that it will not cross key boundaries identified in the permit and 2) does not pose a threat to human health, underground sources of drinking water (USDWs), and the environment because of lateral migration to areas where leakage pathways may exist. Published literature on plume metrics was reviewed to determine which metric(s) may be most appropriate for determining CO 2 plume stability. A technical approach that defines plume stabilization by estimating the rate of change in the geographic footprint of the CO 2 plume with respect to time was developed and illustrated using a case study from North Dakota, USA, as a proposed solution for CCS operators to apply at the project permitting stage. Any prospective CCS operator may benefit from using the same approach to inform the selection of pore space lease and monitoring areas and develop post-injection site care plans.

03 NATURAL GAS↗
DOE OSTI2022

TEAMER: FOSWEC Mooring Modeling and Analysis, Post Access Report and Data

Floating oscillating surge wave energy converters (FOSWECs) offer several advantages over bottom-hinged oscillating surge wave energy converters, including large wave potential at deep-water sites with fewer permitting and environmental concerns outside territorial waters. As a team, Stevens Institute of Technology, Virginia Tech and Resolute Marine Energy are designing a 100 kW FOSWEC with DOE support (2020-2021) for the PacWave test site "PacWave". The proposed FOSWEC consists of a floating platform, two pivoting flaps, and an innovative power-take-off (PTO). The distance between the two flaps is around half the typical wavelength, resulting in out-of-phase motion and a reduction in motion of the frame and mooring loads. The overall goal of the project is to design, build, deploy and analyze a 1:2 scale (100-kW annual averaged electrical power output) device with reduced levelized cost of energy (LCOE) and peak-to-average power ratio, through the co-design and control of the PTO, WEC, and floating platform. This submission includes a Post Access Report and data for the project of Mooring Modeling and Analysis for Floating Oscillating Surge Wave Energy Converter that Powers Marine Aquaculture of RFTS2 (request for technical support). The data are used to generate all figures in the Post Access Report. Project was a collaboration between Virginia Tech and the National Renewable Energy Lab, with funding from TEAMER.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Sensitive Resources Assessment and Forest Analysis for the Proposed Versatile Test Reactor, Oak Ridge, Tennessee

The US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) is a leading institution in advanced materials, supercomputing, neutrons, and nuclear science. As a research laboratory managed by UT-Battelle, LLC for DOE, ORNL has national priorities in energy, security, and scientific discovery that necessitate facility improvements and expansions. DOE is also committed to environmental stewardship. The laboratory is located on the ~32,000-acre (~13,000-ha) Oak Ridge Reservation (ORR), much of which is categorized as a National Environmental Research Park (NERP) and a state Wildlife Management Area. DOE works with the Tennessee Wildlife Resources Agency (TWRA), Tennessee Department of Environment and Conservation (TDEC), US Fish and Wildlife Service (USFWS), US Department of Agriculture, and other agencies to serve as an effective steward of the ORR. Accordingly, project managers must conform to environmental regulations, agreements, and policies at the federal, state, and institutional levels. Per 40 CFR (Code of Federal Regulations) 1508.14, potential effects on research and science education also represent potential effects of federal actions on the NERP, and impacts on, e.g., deer harvest, must be considered on the Oak Ridge Wildlife Management Area when other aspects of the human environment are affected. The United States currently has no fast neutron testing capability to support advanced nuclear research and development. The proposed Versatile Test Reactor (VTR) will take advantage of current investments by the US government and private industry in nuclear reactors to expedite the design and construction process, using proven technology to create a world-class scientific infrastructure. The VTR will take advantage of fast neutrons provided by this proven technology, along with a capability to rapidly insert, conduct, and remove state-of-the-art experiments. An advantage of the VTR is that it can support future innovations in experimental capabilities without modifying the facility. The VTR will support progress in a variety of science and technology areas, including testing and qualification of advanced reactor fuels; testing and qualification of innovative structural materials; testing of innovative components and instruments; validation of advanced modeling and simulation tools; and versatility for future technical missions. Through proven technology, the VTR can take advantage of existing reactor designs and operating experience to reduce the risk, cost, and time for design and construction. The top available resources of DOE laboratories, industry, and universities will be used to expedite reactor design and construction toward developing the scientific infrastructure that affords a strong testing capability that can be sustained over many years. This report summarizes current knowledge of natural and cultural resources primarily within the VTR construction area. At the time of this report, the proposed VTR site design includes a construction area of ~150.4 acres (~69.9 ha), which contains an ~51.3-acre (~20.8-ha) operations area, located within forested natural areas of the ORR. The primary goal of the work presented here was to evaluate potential effects on sensitive resources that might result from development and construction activities associated with VTR. In addition to on-the-ground surveys during spring and summer 2020 by the ORNL Natural Resources Management Program and Aquatic Ecology Group staff, this report makes use of historical (pre-1995) and contemporary (1995 to present) data from additional confirmed sources (e.g., TDEC). Likewise, forest conditions were compiled from a 2011 forest inventory and supplemented with limited ground observations in 2020. The individuals who obtained and compiled the data presented here are familiar with and routinely assess sensitive resources on the ORR. Anyone who references this report must consider that the timing of surveys did not permit a complete delineation of the resources that will be affected. If the VTR project proceeds, additional surveys will be required to account for the seasonal patterns of various threatened and endangered species. Data deficiencies and potential resources that likely went undetected are indicated where possible. Accordingly, this report should facilitate more environmentally sound decisions during planning and 2 development of the VTR site, provide a foundation for further assessment of sensitive and cultural resources, and help project managers better address regulatory guidance and DOE policies on sustainable development in compliance with, for example, the US Endangered Species Act (ESA), Migratory Bird Treaty Act (MBTA), Tennessee Rare Plant Protection and Conservation Act of 1985, Tennessee Nongame and Endangered or Threatened Wildlife Species Conservation Act of 1974, several federal and state regulations regarding aquatic resource protection, and site-specific policies as outlined in various ORR management plans developed by ORNL and TWRA for DOE.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

DOE Award No.: DE-FE0023919 Phase 4 Scientific/Technical Report

This is the Phase 4 Report for the ‘Deepwater Methane Hydrate Characterization and Scientific Assessment or Genesis of Methane Hydrates in the Gulf of Mexico (GOM2)’ research project (DOE Award No. DE-FE0023919). The report summarizes activities from October 1, 2019 to September 30, 2020. The project is led by the University of Texas at Austin (UT). The project objective is to gain insight into the nature, formation, occurrence and physical properties of methane hydrate-bearing sediments for the purpose of methane hydrate resource appraisal through the planning and execution of drilling, coring, logging, testing and analytical activities that assess the geologic occurrence, regional context, and characteristics of marine methane hydrate deposits in the Gulf of Mexico outer continental shelf (OCS). We published a dedicated American Association of Petroleum Geologists Bulletin volume describing initial results from the UT-GOM2-1 expedition in Sept. 2020. This is part 1 of a multi-volume commitment by AAPG to this project. We further confirmed that the natural gas in hydrate at GC-955 was formed by primary microbial processes (>76.1 %). The in-situ effective permeability hydrate-bearing sandy silts at the GC-955 reservoir ranges from 0.1 md (1.0×10-16 m2) to 2.4 md (2.4×10-15m2) in cores with 83% to 93% hydrate saturation. The intrinsic permeability (the single phase permeability) is estimated from reconstituted samples to be ~12 md (1.2×10-14 m2) to ~41 md (4.1×10-14 m2). We used observation and models to interpret that the core degradation that is found in pressure cores is due to dissociation of the methane hydrate in the outer circumference of the core and dissolution of that methane into the fresh pore water that the core is stored with. We are designing approaches to minimize this core loss in the future. We spent an enormous amount of effort to further improve the ability of the pressure coring tool (the PCTB) to pressure seal correctly. We completed upgrading the upper section of the PCTB to address poor pressure. We successful tested the modifications at Geotek’s test facility in Salt Lake City (Bench Test II). We completed a Land Test of the PCTB at the Schlumberger Cameron Test and Training Facility (CTTF). The tool did not seal in 6 out of 7 tests and we clearly demonstrated that cuttings were wedging in the ball valve assembly, keeping the ball valve from sealing. We reproduced the failure mechanism observed during the land test at Salt Lake City and confirmed the sensitivity of the ball valve assembly to grit. Geotek designed and tested 9 modifications to address this issue and the PCTB is now 100% successfully sealing in the presence of grit. Our science expedition is scheduled for spring 2022 and we are fully focused on preparing for this. UT and Ohio State completed a Shallow Hazard Assessment report for each proposed UT-GOM2-2 drilling location, pursuant to 30 CFR 250.214(f) and 250.244 (f). The Shallow Hazard Reports will accompany the UT-GOM2-2 Exploration Plan that is submitted to BOEM, and completes the geological and geophysical analysis for UT-GOM2-2 permitting efforts. We updated the UT-GOM2-2 Operations Plan (Version 1). We completed the UT-GOM2-2 Science and Sample Distribution Plan (Version 1). We evaluated the scope, budget, and schedule that would result from using a commercial vessel. We developed detailed drilling schedule, mud volume, and resource estimates. We developed a vessel specification document and a well plan, and sent these documents to prospective vessel contractors.

03 NATURAL GAS↗
DOE OSTI2018

Compression Analytics for Classification and Anomaly Detection within Network Communication

Here, the flexibility of network communication within Internet protocols is fundamental to network function, yet this same flexibility permits the possibility of malicious use. In particular, malicious behavior can masquerade as benign traffic, thus evading systems designed to catch misuse of network resources. However, perfect imitation of benign traffic is difficult, meaning that small unintentional deviations from normal can occur. Identifying these deviations requires that the defenders know what features reveal malicious behavior. Herein we present an application of compression-based analytics to network communication that can reduce the need for defenders to know a priori what features they need to examine. Motivating the approach is the idea that compression relies on the ability to discover and make use of predictable elements in information, thereby highlighting any deviations between expected and received content. We introduce a so-called “slice compression” score to identify malicious or anomalous communication in two ways. First, we apply normalized compression distances (NCDs) to classification problems and discuss methods for reducing the noise by excising application content (as opposed to protocol features) using slice compression. Second, we present a new technique for anomaly detection, referred to as slice compression for anomaly detection (SCADe). A diverse collection of datasets are analyzed to illustrate the efficacy of the proposed approaches. While our focus is network communication, other types of data are also considered to illustrate the generality of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Magnesium, Iron and Aluminum in LLNL Air Particulate and Rain Samples with Reference to Magnesium in Industrial Storm Water

Storm water runoff from the Lawrence Livermore National Laboratory’s (LLNL’s) main site and Site 300 periodically exceeds the Discharge Permit Numeric Action Level (NAL) for Magnesium (Mg) under the Industrial General Permit (IGP) Order No. 2014-0057-DWQ. Of particular interest is the source of magnesium in storm water runoff from the site. This special study compares new metals data from air particulate and precipitation samples from the LLNL main site and Site 300 to previous metals data for storm water from the main site and Site 300 and alluvial sediment from the main site to investigate the potential source of elevated Mg in storm water runoff. Data for three metals (Mg, Iron {Fe}, and Aluminum {Al}) were available from all media; data for additional metals, such as Europium (Eu), were available from rain, air particulates, and alluvial sediment. To attribute source, this study compared metals concentration data (for Mg, Al, and Fe) in storm water and rain; metal-metal correlations (Mg with Fe, Mg with Al, Al with Fe, Mg with Eu, Eu with Fe, and Eu with Al) in storm water, rain, air particulates, and sediments; and metal-metal ratios ((Mg/Fe, Mg/Al, Al/Fe, Mg/Eu, Eu/Fe, and Eu/Al) in storm water, rain, air particulates and sediments. The results presented in this study are consistent with a simple conceptual model where the source of Mg in storm water runoff is air particulate matter that has dry-deposited on impervious surfaces and subsequently entrained in runoff during precipitation events. Such a conceptual model is consistent with 1) higher concentrations of metals in storm water runoff than in precipitation, 2) the strong correlation of Mg with Aluminum (Al) and Iron (Fe) in both storm water and air particulates, and 3) the similarity in metal mass ratios between storm water and air particulates in contrast to the dissimilarity of metal mass ratios between storm water and precipitation or alluvial sediment. The strong correlation of Mg with Fe and Al and of Fe with Al in storm water and air particulates and the strong association of Mg, Fe, and Al with Eu in air particulates strongly suggests that a dominant source of the Mg in storm water is associated with mineral phases of natural origin. These observations all point to Mg exceedances being associated with natural sources and processes and not with anthropogenic processes or pollutant sources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The Snow Albedo Evolution (SALVO) Campaign at the North Slope of Alaska Field Campaign Report

The springtime surface-albedo transition in the Alaskan Arctic, along with the forces that determine its duration and nature, was the focus of the Snow ALbedo eVOlution (SALVO) campaign. The SALVO team investigated the reasons and durations of the stages of spring melt, during which albedo values decrease from 0.8 to 0.1, signifying the year’s largest and most significant radiative energy change. SALVO II (2022, 2024) built on findings from the successful SALVO I (2019) melt season campaign and previous research on the melt transition period conducted by Grenfell and Perovich (2004). SALVO used the ARM NSA observatory, thus aligning with a core principle of the ARM Decadal Vision to “provide comprehensive and impactful field measurements to support scientific advancement of atmospheric process understanding.” SALVO fieldwork was conducted in the spring near the ARM NSA Central Facility in Utqiagvik, Alaska (Figure 1). Comprehensive data sets were collected in 2019, 2022, and 2024, which included spectral and broadband albedos, snow and meltwater depths, snow stratigraphy, snow grain size data, and aerial imagery. In April of each project year, before the snow began to melt, we established survey lines at three or four locations: inland tundra at NSA E12, coastal tundra at the NSA C1 site, Elson Lagoon, and offshore on the Chukchi Sea sea ice (2022 only). We set up a 200-meter-long line, marked every five meters, to enable repeated measurements of surface albedo and snow depth at each location. During most site visits, the SALVO II team dug at least one snow pit to assess the characteristics of the vertical snow layers, including the types and sizes of snow grains, snow density, and the distribution of liquid water. We evaluated the characteristics of flowing or pooled water at the bottom of the snowpack. Watching snow melt in the Arctic has been compared by some to being as exciting as watching paint dry, but it is far more exciting and dynamic than that. Initially, changes happen slowly while the snow cover remains above 80%, but then reductions in the albedo of the landscape, from about 0.8 to 0.4, combined with rising spring temperatures, begin to accelerate the melt. It happens so quickly that no matter how hard the field team works, they cannot keep up with documenting the changes. At first, liquid water is scarce—only a few wet layers of snow in the snowpack. But then, water becomes ubiquitous, transporting melt energy and creating an extremely heterogeneous albedo and melt landscape. At the end of each field season, the SALVO team is exhausted, relieved to see the snow gone, and joyful to play in the melt ponds on the sea ice under the midnight sun. Overall, the 2024 SALVO field campaign was a highlight, reflecting numerous lessons learned from 2019 and 2022. Daily measurements were taken more than 10 times at each site, resulting in a comprehensive time series of snow conditions and albedo. The team deployed using snowmachines and then on foot when snowmachine travel was no longer permitted on the melting tundra. Instrument mounts and packaging were optimized for quick deployment, regardless of the mode of transportation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Time-resolved site-selective imaging of predissociation and charge transfer dynamics: the CH 3 I B-band

The predissociation dynamics of the 6s (B 2 E) Rydberg state of gas-phase CH 3 I were investigated by time-resolved Coulomb-explosion imaging using extreme ultraviolet (XUV) free-electron laser pulses. Inner-shell ionization at the iodine 4d edge was utilized to provide a site-specific probe of the ensuing dynamics. The combination of a velocity-map imaging (VMI) spectrometer coupled with the pixel imaging mass spectrometry (PImMS) camera permitted three-dimensional ionic fragment momenta to be recorded simultaneously for a wide range of iodine charge states. In accord with previous studies, initial excitation at 201.2 nm results in internal conversion and subsequent dissociation on the lower-lying A-state surface on a picosecond time scale. Examination of the time-dependent yield of low kinetic energy iodine fragments yields mechanistic insights into the predissociation and subsequent charge transfer following multiple ionization of the iodine products. The effect of charge transfer was observed through differing delay-dependencies of the various iodine charge states, from which critical internuclear distances for charge transfer could be inferred and compared to a classical over-the-barrier model. Time-dependent photofragment angular anisotropy parameters were extracted from the central slice of the Newton sphere, without Abel inversion, and highlight the effect of rotation of the parent molecule before dissociation, as observed in previous works. Our results demonstrate the ability to perform three-dimensional ion imaging at high event rates and showcase the potential benefits of this approach, particularly in relation to further time-resolved studies at free-electron laser facilities.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Improbability of Post-Closure Criticality in Array of Transuranic Waste Containers after Compaction by Salt Creep at Waste Isolation Pilot Plant

Based on the rationale presented, post-closure nuclear criticality is improbable when room closure compacts containers disposing transuranic (TRU) waste emplaced at the Waste Isolation Pilot Plant (WIPP), an operating repository in bedded salt in southeastern New Mexico. As described in the original WIPP certification, a qualitative estimate of the probability of post-closure criticality in TRU waste produced from atomic energy defense activities has been low either because remote-handled TRU waste canisters are neutronically isolated by the bedded salt or because the low fissile mass in an array of contact-handled TRU waste drums cannot be compacted sufficiently by room closure from salt creep. These situations are still valid for the majority of TRU waste that is disposed at WIPP without any disposal constraints, as updated herein. This report also qualitatively evaluates the probability of criticality after disposal of TRU waste in pipe overpack containers (POC) where every POC in a shipment may have the maximum 200 fissile gram equivalent of 239Pu content. The probability of criticality for a disposal room filled with POCs is estimated during four representative phases of repository evolution: (1) a large salt block falls onto POCs in the first 20 years, (2) salt creep closes a disposal room in the first 1000 years without brine seepage and subsequent gas generation, which permits maximum compaction, (3) some brine seepage occurs into the closed room, which initiates consumption of the fiberboard (cellulose) impact absorber in the POC in the second 1000 years, and (4) full brine inundation of a room and consumption of all fiberboard thereafter. Salt-block fall in the first phase does not greatly disrupt three tiers of POCs. The compacted spacing of POCs in the later three repository conditions is calculated through high-fidelity, geomechanical modeling. Criticality evaluation of compacted 200-g 239 Pu spheres at the compacted spacing shows that neither 12-inch nor 6-inch POCs are critical after the first 1000 years, the second 1000 years, or thereafter as the sea of reflector material changes to represent the three repository conditions. Specifically, fiberboard and iron isolates 239 Pu while dry, and brine reduces the reactivity when a room is partially and fully inundated. Because POC behavior bounds behavior of other standard TRU waste containers, post-closure criticality caused by room closure compacting containers is omitted in the performance assessments for the 2019 and 2026 WIPP compliance re-certification applications to the US Environmental Protection Agency.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Integrated pre-feasibility study for CO 2 geological storage in the Cascadia Basin, offshore Washington State, British Columbia

The Cascadia CarbonSAFE project conducted a pre-feasibility study to evaluate technical and nontechnical aspects of storing 50 million metric tons (MMT) of carbon dioxide in a safe, ocean basalt reservoir offshore Washington State and British Columbia. Sub-seafloor basalts are very common on Earth and enable geological mineralization as a long-term storage mechanism, permanently sequestering the carbon in solid rock form. This project evaluated the offshore storage complex, developed potential industrial source/transport scenarios, built an inventory of existing geophysical/geological data and environmental monitoring capabilities, conducted laboratory studies and reservoir modeling to determine storage capacity, and analyzed economic factors, regulatory requirements, and project management risks. Our team included researchers at Columbia University in New York, Pacific Northwest National Laboratory (PNNL) in Washington, University of Victoria in British Columbia, University of California at Santa Cruz, and GHG Underground in Maine, as well as collaborators at University of Iceland in Reykjavik and University of Washington in Saint Louis. In the study region, large emitters (>100,000 MT/year) generate a total of approximately 40 MMT annually from stationary sources, such as power plants, refineries, ammonia production, and mineral processing plants. Five potential industry source/transport scenarios were identified (three in U.SA S. and two in Canada) to potentially provide 50 MMT of carbon dioxide to the offshore reservoir. One scenario included net carbon-negative sources that would reduce atmospheric levels. The inventory of existing data illustrated that basalt properties in the region are potentially beneficial for long-term storage. Permeability is on the order of 0.1 to 1 Darcies within the uppermost 600 m of ocean crust and density-derived porosity reaches 10–20% in thin layers that provide act as flow channels and provide access to porous and permeable basalt. Fine-grained sediments overlying basalt provide a low-permeability barrier separating the storage reservoir from the overlying ocean. Subsurface monitoring of the storage complex benefits from a unique opportunity close proximity of to the nearby NEPTUNE cabled seafloor observatory, which actively transmits data to shore and could be used to monitor reservoir properties. Injection pressure changes, reservoir chemistry, seismicity, well head corrosion, and potential leakage monitoring would be feasible in real time. Using existing data and published models, the STOMP-CO 2 modeling code developed at PNNL was used to simulate carbon dioxide injection, storage, and mineralization in the reservoir. Preliminary simulations indicate that a 50 MMT carbon dioxide plume injected over a 20-year period remains well within the reservoir area, both laterally and vertically, for at least a 50-year period of post-injection monitoring. Laboratory studies on core samples from Cascadia measured dissolution rates in CO 2 –basalt–seawater mixtures and indicated large variability in rates with the potential for complete mineralization. Compared to published data, the dissolution rate measured in these samples is faster, decreasing the time until full conversion to carbonate minerals would occur. Adding geochemical reactivity in the STOMP-CO 2 model indicates that carbon dioxide would be fully converted to carbonate minerals in 135 years or less after injection ceases. The project assessed the viability and costs for the five scenarios using either dedicated offshore pipelines or shipping vessels. Carbon dioxide capture costs were not considered. Shipping incurred lower upfront CAPEX costs, and because most viable sources were located near the shore and waterways, shipping is preferred; no dedicated carbon dioxide pipelines exist in the region. The project also considered potential risks from mixed-use impacts on surrounding lands and ocean areas, such as active use by commercial and recreational fisherman, and other community considerations in planning for public engagement in the future. Other project risks were identified, including project management, permitting and compliance, and financing, as well as technical issues such as long-term instrumentation, plume migration, and model development. Geological concerns like reservoir permeability, seal, and induced seismicity held relatively low risk. The regulatory framework for offshore storage in the U.S. and Canada may be covered by general legal/regulatory programs, but is not yet fully defined. Existing programs appear to restrict the transportation of carbon dioxide across national boundaries (e.g., Canada to U.S.) and its sub-seabed disposal in some circumstances. Our assessment suggests that developing specific and separate pilot projects will help to advance the technical feasibility and regulatory requirements in each country, and lessons learned from such activities may be transferable elsewhere around the globe.

42 ENGINEERING↗
DOE OSTI2018

Licensing Modernization Project for Advanced Reactor Technologies: FY 2018 Project Status Report

The promise of new nuclear technology and the future of commercial power in the United States (U.S.) are linked to the existence of an efficient and safety-focused regulatory review and licensing process. With an appropriate regulatory framework, reactor suppliers and regulators can design, license, build, and export advanced reactor units more effectively and efficiently and thereby help meet the growing need for clean and reliable energy. To help address the challenge of maintaining compatibility between the regulatory environment and new commercial nuclear plant designs, the U.S. Department of Energy (DOE) is supporting an industry-led effort called the Licensing Modernization Project (LMP). This cost-shared initiative, started in 2016 and scheduled to continue through mid-2019, targets amendment to key elements of the U.S. nuclear power reactor regulatory framework to specifically address licensing barriers in advanced-reactor concepts. The project is focused on updating guidance for certain technical licensing requirements that are largely incompatible with non-light-water reactors (non-LWR) and establish a new pathway for design-safety evaluations and license-application development. Upon completion, the project will have created a new pathway, founded on modern probabilistic assessment techniques, that offers developers, suppliers, regulators, and owner/operatorowner-operators greater clarity and assurance in design and licensing decisions. The LMP employs a team of advanced reactor technology and licensing subject matter experts working closely with U.S. regulators, affected industries, and interested members of the public. The project is managed by Southern Company and supported through a cost share arrangement with DOE. Technical contributions are also provided to the project from the Idaho National Laboratory (INL) Regulatory Development area, the Nuclear Energy Institute (NEI), and the U.S. Nuclear Regulatory Commission (NRC). The LMP identified a suite of high priority issues that provided significant uncertainty within the regulated non-LWR community. It was determined that much of this uncertainty could be retired by issuing updated licensing guidance founded on safety performance demonstrations and modern probabilistic methodologies. The success criteria for the project were established as: • Generate sets of technology inclusive (TI), risk-informed, and performance-based (TI-RIPB) technical requirements, recommendations, and proposals that could be reviewed, amended, and adopted for use by both NRC staff and industry. The proposals would create an optional-use regulatory framework without imposing additional (i.e., mandatory) requirements. • Support LMP the recommended updates of LMP such that they can be finalized, endorsed by NRC, and used by applicants within 5 years. This also supports the DOE advanced- reactor development and deployment goal of completing licensing reviews for technically mature non-LWR concepts sufficient to allow construction to proceed by the early 2030’s. • Further overall programmatic objectives established by DOE’s Gateway for Accelerated Innovation in Nuclear (GAIN) initiative by resolving technology-inclusive policy issues that adversely impact regulatory reviews, siting, permitting, and/or licensing of non-LWRs. This would provide significantly more regulatory certainty for advanced reactor developers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Foundations of Molecular 'Isotomics'

The naturally occurring rare isotopes are versions of common elements, such as hydrogen, carbon and oxygen, that contain a larger than usual number of neutrons in their atomic nuclei and therefore are higher in mass than the common atoms of that element. Isotopes exist for most elements and are found in most natural and synthetic materials, but are uneven in their distribution because chemical and physical processes are isotope-selective (e.g., a chemical reaction may proceed more rapidly for one isotope than for another). For this reason, abundances of isotopes in a material of interest can provide a record, or ‘signature’ of various features of that material’s origin and history. These signatures have been used in the geo, life, chemical and physical sciences in a wide variety of ways over close to 8 decades. However, many such applications struggle to reach unique interpretations of isotopic data because multiple factors combine to control a given sample’s overall isotopic content. That is, the factors controlling isotopic content are too numerous and complex to fully constrain from a simple measurement of a material’s isotope abundances. However, the distribution of isotopes within materials, at molecular scales potentially provides a vastly larger number and diversity of constraints on the chemical and physical processes that comprise a material’s history. The rare isotopes may be concentrated into one atomic position in a molecule relative to another, some proportion of molecules in a sample may contain two or more rare isotopes, and those multiply-isotope-substituted forms of molecules may also have uneven distributions of those isotopes across individual atomic sites. For these reasons, even small, seemingly simple molecules, such as sugars, amino acids or drug compounds, actually exist in a vast number of isotopically unique forms (often millions or more), and each one of those forms is in some sense an independent ‘vote’ on that sample’s history. This project has focused on opening this rich archive of information by enabling the creation of routinely and widely applicable ways of measuring and interpreting isotopic structures of molecules. This work has included the development of core technologies and analytical methods, advancing fundamental understanding of the physical and chemical properties of isotopic versions of molecules, and conducting proof of concept studies of illustrative geochemical, cosmochemical and forensic problems in order to show how these technologies, methods and principles come together to solve problems in new ways. A key to the success of this project was the adaptation of ‘Fourier transform mass spectrometry’ (FTMS) to the task of precisely measuring proportions of the rare, naturally occurring isotopic forms of molecules. FTMS is a highly specialized form of mass spectrometry that traps ions within magnetic or electrostatic cavities and, effectively, ‘listens’ (through registering of subtle electrical signals) to the harmonic signals they make while rapidly orbiting within those cavities. These signals have periods that are a function of their mass and strength (or ‘loudness’) that is proportional to their abundances. Thus, these signals constrain relative amounts of molecules that differ in their mass due to various isotopic substitutions. This technology has been essential to the identification of organic molecules in the life, chemical and environmental sciences for over 4 decades, but generally has lacked the control, stability and precision to meaningfully measure rare isotope forms of molecules. This project’s most fundamental contribution has been to modify FTMS, both in terms of hardware and methods, to enable such measurements. The raw data of molecular isotopic structure is tremendously voluminous and complex, so another important activity of this project has been developing the theoretical and data-science tools needed to interpret the data generated by this new form of isotopic measurement. A particularly challenging part of this task has been predicting molecular isotopic structure, as only through the comparison of measurements with predictions can we make progress on hypothesis driven research questions. We have attacked this this prediction task through a combination of first-principles chemical-physics models of the effects of isotope substitution on molecule properties and data-science models that permit us to generalize that chemical physics to cases that have not yet been studied by detailed chemical physics theory. The proof of concept applications we have pursued over the course of this study include biological reactions of amino acids and other biomolecules, non-biological synthesis of organic molecules in extra-terrestrial settings such as meteorites, petroleum geoscience questions concerning the origin and evolution of natural gas, oil and kerogen compounds, and forensic questions such as the sourcing of chemical weapons. The successes of these applications have laid the groundwork for the next phase of this field’s development, which will include larger scale and more ambitious studies of molecular isotopic structure as a means of diagnosing human diseases, such as cancer, and reconstructing detailed interpretations of the origin and evolution of organic molecules in modern and geological environments.

Cesar, Jaime↗
DOE OSTI2025

Modeling of Precipitation over Africa: Progress, Challenges, and Prospects

In recent years, there has been an increasing need for climate information across diverse sectors of society. This demand has arisen from the necessity to adapt to and mitigate the impacts of climate variability and change. Likewise, this period has seen a significant increase in our understanding of the physical processes and mechanisms that drive precipitation and its variability across different regions of Africa. By leveraging a large volume of climate model outputs, numerous studies have investigated the model representation of African precipitation as well as underlying physical processes. These studies have assessed whether the physical processes are well depicted and whether the models are fit for informing mitigation and adaptation strategies. This paper provides a review of the progress in precipitation simulation over Africa in state-of-the-science climate models and discusses the major issues and challenges that remain.

CMIP6↗
DOE OSTI2024

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

DYNAMICS OF CIRCUMSTELLAR DISKS. III. THE CASE OF GG Tau A

We present two-dimensional hydrodynamic simulations using the Smoothed Particle Hydrodynamic code, VINE, to model a self-gravitating binary system. We model configurations in which a circumbinary torus+disk surrounds a pair of stars in orbit around each other and a circumstellar disk surrounds each star, similar to that observed for the GG Tau A system. We assume that the disks cool as blackbodies, using rates determined independently at each location in the disk by the time dependent temperature of the photosphere there. We assume heating due to hydrodynamical processes and to radiation from the two stars, using rates approximated from a measure of the radiation intercepted by the disk at its photosphere. We simulate a suite of systems configured with semimajor axes of either a = 62 AU (“wide”) or a = 32 AU (“close”), and with assumed orbital eccentricity of either e = 0 or e = 0.3. Each simulation follows the evolution for ∼6500–7500 yr, corresponding to about three orbits of the torus around the center of mass. Our simulations show that strong, sharply defined spiral structures are generated from the stirring action of the binary and that, in some cases, these structures fragment into 1–2 massive clumps. The torus quickly fragments into several dozen such fragments in configurations in which either the binary is replaced by a single star of equal mass, or radiative heating is neglected. The spiral structures extend inwards to the circumstellar environment as large scale material streams for which most material is found on trajectories that return it to the torus on a timescale of 1–200 yr, with only a small fraction accreting into the circumstellar environment. The spiral structures also propagate outwards through the torus, generating net outwards mass flow, and eventually losing coherence at large distances from the stars. The torus becomes significantly eccentric in shape over most of its evolution. In all configurations, accretion onto the stars occurs at a steady rate of a few ×10{sup −8} M {sub ⊙} yr{sup −1}, with the net result that, without replenishment, the disk lifetimes would be shorter than ∼10{sup 4} yr. Our simulations show that only wide orbit configurations are able to retain circumstellar disks, by virtue of accretion driven from the robust material streams generated in wide configurations, which are very weak in close configurations. In wide, eccentric orbit configurations, accretion is episodic and occurs preferentially onto the secondary, with rates strongly peaked near the binary periapse. Based on our results, we conclude that the GG Tau A torus is strongly self gravitating and that a major contribution to its thermal energy input is the shock dissipation associated with spiral structures generated both by self gravitating disturbances and by the stirring action of the binary. We interpret the sharply defined features observed in the torus as manifestations of such spiral structures. We interpret the low density disk surrounding it as an excretion disk created by the outward mass flux generated by the spiral arms as they propagate outwards. Typical eccentricities calculated for the shape of the tori modeled in our simulations are large enough to account for the supposed ∼20° mutual inclination between the stellar orbit plane of GG Tau A and its surrounding torus through a degeneracy between the interpretation of inclination of the torus and its eccentricity. We therefore interpret the observations in favor of a coplanar system with an eccentric torus. Because accretion onto the disks occurs at rates sufficient to sustain them only in wide orbit configurations, we conclude that the gas currently resident in the circumstellar disks of the GG Tau A system has been accreted from the torus within the past few thousand years. Although circumstellar disks will persist over time spans long enough to permit planet formation, the overall environment remains unfavorable due to high temperatures and other conditions. Given the presence of circumstellar disks, robust accretion streams, and our interpretation of the GG Tau A stellar orbit plane as coplanar with the torus surrounding it, we conclude that the GG Tau A system is in an eccentric, a ∼ 62 AU orbit, resolving questions in the literature regarding its orbit parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Kansas City, Missouri, Streetlight Electric Vehicle Charging: Strategies and challenges for site selection of streetlight electric vehicle infrastructure in Kansas City, Missouri (Final Report)

Public streetlight charging, whether on streets in central business districts or residential areas, provides easy charging access for apartment residents and homeowners alike. While most electric vehicle (EV) drivers charge at home, they do so in garages or on driveways they own. For renters and residents of multifamily housing (MFH), however, this may not be an option. EVs have a lower cost of ownership compared to conventional vehicles, and a used EV may be an affordable option for a lower-income household. But without easy access to charging, even a low-cost used EV may not be an option for a prospective buyer. An affordable curbside charging network has the potential to expand EV adoption into neighborhoods that have to date seen minimal interest and uptake of the technology and associated charging infrastructure. Streetlight charging networks can provide an economical, scalable, and effective approach to providing equitable and convenient charging. Metropolitan Energy Center (MEC) is dedicated to the mission of creating resource efficiency, environmental health, and economic vitality in the Kansas City region and beyond. Since 1983, MEC has provided resources, outreach, and training to make alternative fuels and energy efficiency commonplace. MEC led a streetlight charging pilot project that installed limited EV charging infrastructure on the streetlight system in Kansas City, Missouri, to demonstrate and test the benefits of curbside charging for EVs at existing on-street parking locations. The project aimed to cost-effectively expand the charging network in Kansas City to support residential charging and provide infrastructure in one or more charging deserts throughout the city. This pilot evaluates the impact and overall success of streetlight charging based on community feedback, utilization of charging infrastructure, technical feasibility, and cost. The project has pursued a data- and community-driven site selection process designed to identify sites with high demand and high opportunity for EV charging. This project was funded by the U.S. Department of Energy (DOE) and awarded to MEC through a competitive proposal process. The novelty and complexity of this project required an organization that could facilitate collaboration across levels of government, community members, and industry partners. For the past 25 years, through Kansas City Regional Clean Cities, MEC has worked with numerous public and private fleets on a variety of projects to improve the environmental performance and efficiency of the regional vehicle fleet. To advance affordable, efficient, and clean transportation efforts, DOE Clean Cities and Communities coalitions create local networks of public and private sector stakeholders and engage communities. Rooted within their local communities, the coalitions serve as experts and ambassadors, bringing to bear the collective knowledge, experience, and practical know-how of the entire network from within DOE, its national laboratories, and diverse stakeholders in the field. MEC and its project partners made in-kind contributions to leverage federal dollars for the benefit of the Kansas City community. Findings from this project will help determine the best applications for streetlight charging technologies to maximize funding impact and serve community needs. The team evaluated locations based on expected charging demand, technical feasibility, safety considerations, and enhanced charging network siting needs. Throughout the project, the team gathered feedback and evaluated ways to make public charging for EVs available to all community members. The insights will help Kansas City and other communities streamline future efforts to support EV drivers through public charging in the city right-of-way. Furthermore, this project will inform citywide guidance for future installations. MEC is committed to a transparent and publicly accessible approach that encourages the collaborative evaluation of streetlight charging. The project has engaged the community to proactively identify and evaluate the benefits and impacts of streetlight charging. It was a priority for the project to ensure the benefits of this pilot are distributed equitably to all members of the Kansas City community and that new charging opportunities and associated resources are available in diverse neighborhoods across the city. The charging infrastructure supports an affordable curbside charging network that will enable more drivers to choose EVs and provide easy charging access for all community members interested in driving an EV. The community feedback received through this project informed future resources and opportunities to make EVs more accessible to all members of the Kansas City community. MEC worked with several community partners on this project, including Missouri University of Science and Technology (MST), Pennsylvania State University (Penn State), the National Renewable Energy Laboratory (NREL); the city of Kansas City, Missouri; Evergy; Black and McDonald (B&M); LilyPad EV; EVNoire; and Westside Housing Organization (WHO). Project partners contributed to the cost match required for DOE grants through capital expenditures, personnel, and other in-kind contributions. Detailed descriptions of project team organizations can be found in Appendix A. Project Partners. Analysts at NREL and MST/PennState developed site maps based on demand and equity considerations. MEC conducted outreach to community members to garner input on project design and site selection, and received approval from the Missouri Public Service Commission (PSC) for Evergy’s EV charging station ownership. MEC worked with all partners to gather additional siting criteria and developed a site selection evaluation checklist, and partners conducted site visits to proposed installation sites. Next, B&M, Evergy, and the city executed all site agreements, conducted site-specific engineering design, acquired associated permits, and issued notices to proceed site by site or in small batches. Finally, from January to April 2023, the project team installed 23 EV charging stations built on Kansas City’s streetlight system in six council districts. Evergy will own, operate, and monitor the stations for 10 years, sharing charging data with MEC for at least 1 year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

A combined static-dynamic single-dose imaging protocol to compare quantitative dynamic SPECT with static conventional SPECT

Background: SPECT myocardial perfusion imaging (MPI) is a clinical mainstay that is typically performed with static imaging protocols and visually or semi-quantitatively assessed for perfusion defects based upon the relative intensity of myocardial regions. Dynamic cardiac SPECT presents a new imaging technique based on time-varying information of radiotracer distribution, which permits the evaluation of regional myocardial blood flow (MBF) and coronary flow reserve (CFR). In this work, a preliminary feasibility study was conducted in a small patient sample designed to implement a unique combined static-dynamic single-dose one-day visit imaging protocol to compare quantitative dynamic SPECT with static conventional SPECT for improving the diagnosis of coronary artery disease (CAD). Methods: Fifteen patients (11 males, four females, mean age 71 ± 9 years) were enrolled for a combined dynamic and static SPECT (Infinia Hawkeye 4, GE Healthcare) imaging protocol with a single dose of {sup 99m}Tc-tetrofosmin administered at rest and a single dose administered at stress in a one-day visit. Out of 15 patients, eleven had selective coronary angiography (SCA), 8 within 6 months and the rest within 24 months of SPECT imaging, without intervening symptoms or interventions. The extent and severity of perfusion defects in each myocardial region was graded visually. Dynamically acquired data were also used to estimate the MBF and CFR. Both visually graded images and estimated CFR were tested against SCA as a reference to evaluate the validity of the methods. Results: Overall, conventional static SPECT was normal in ten patients and abnormal in five patients, dynamic SPECT was normal in 12 patients and abnormal in three patients, and CFR from dynamic SPECT was normal in nine patients and abnormal in six patients. Among those 11 patients with SCA, conventional SPECT was normal in 5, 3 with documented CAD on SCA with an overall accuracy of 64%, sensitivity of 40% and specificity of 83%. Dynamic SPECT image analysis also produced a similar accuracy, sensitivity, and specificity. CFR was normal in 6, each with CAD on SCA with an overall accuracy of 91%, sensitivity of 80%, and specificity of 100%. The mean CFR was significantly lower for SCA detected abnormal than for normal patients (3.86±1.06 vs 1.94±0. 0.67, P < 0.001). Conclusions: The visually assessed image findings in static and dynamic SPECT are subjective, and may not reflect direct physiologic measures of coronary lesion based on SCA. The CFR measured with dynamic SPECT is fully objective, with better sensitivity and specificity, available only with the data generated from the dynamic SPECT method.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2019

Accelerating the Deployment of Advanced Energy Communities: The Oakland EcoBlock A Zero Net Energy, Low Water Use Retrofit Neighborhood Demonstration Project

This report describes the design development process and recommendations of a Community-Scale Zero Net Energy Master Plan for a residential block in Oakland, the Oakland EcoBlock. The recommended master plan includes an integrated system of energy efficiency retrofits, a direct current solar/storage/electric vehicle microgrid, alternating/direct current houses, and water efficiency retrofits with rainwater capture. The recommended master plan is projected to be close to zero-net energy (95 percent) for homes, reduce carbon emissions by 65 percent at the block scale (including transportation), and reduce water use 60–70 percent. The integrated system of energy efficiency and a direct current solar/storage/electric vehicle (EV) charging microgrid is the first of its kind at the residential block scale. This breakthrough because the deep energy efficiency retrofit savings free up enough capacity in the solar supply and storage to enable residents to switch from natural gas to electricity for heating and domestic hot water and to provide EV charging for 33 percent of vehicle miles traveled. The savings in household transportation costs are a game changer because when combined with savings in the electric and water utility bills, the total cash flow savings are projected to fund the capital improvements of the proposed systems. This project’s benefits include lower and more predictable utility bills; greater resiliency because the system can operate during outages, and vastly improved indoor air quality by reducing natural gas consumption. The local energy storage reduces peak demand for the utility. California benefits from a model that exceeds the targets for reductions in energy consumption and carbon emissions and the reductions in water use address California’s severe water challenges. The Oakland EcoBlock is a transformative model for accelerating the rapid deployment of advanced energy communities.

decarbonization codes↗