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At least 1,261 records · Page 70

Gravitational Contact Interactions and the Physical Equivalence of Weyl Transformations in Effective Field Theory

Theories of scalars and gravity, with non-minimal interactions, $\sim (M_P^2 +F(\phi) )R +L(\phi)$, have graviton exchange induced contact terms. These terms arise in single particle reducible diagrams with vertices $\propto q^2$ that cancel the Feynman propagator denominator $1/q^2$ and are familiar in various other physical contexts. In gravity these lead to additional terms in the action such as $\sim F(\phi) T_\mu^\mu(\phi)/M_P^2$ and $F(\phi)\partial^2 F(\phi)/M_P^2$. The contact terms are equivalent to induced operators obtained by a Weyl transformation that removes the non-minimal interactions, leaving a minimal Einstein-Hilbert gravitational action. This demonstrates explicitly the equivalence of different representations of the action under Weyl transformations, both classically and quantum mechanically. To avoid such "hidden contact terms" one is compelled to go to the minimal Einstein-Hilbert representation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mapping Arbitrarily Sparse Two-body Interactions on One-dimensional Quantum Circuits

We consider an assignment problem arising in Fermionic-swap based mapping of the one-body and two-body interaction terms in simulating time evolution of a sparse second-quantized electronic structure Hamiltonian on a quantum computer. Relative efficiency of different swap networks depends on the relative costs of performing a swap layer and computing a Hamiltonian interaction term. Under the assumption that the interaction term cost dominates the computation, we develop an iterative algorithm that uses hypergraph optimal linear arrangement (HOLA) and partial distance-2 coloring to exploit arbitrary sparsity in the Hamiltonian for efficient computation using swap networks. Using a set of 122 problems from computational chemistry, we demonstrate performance improvements up to 100% relative to the state-of-the-art approaches for one-body terms and up to 86% utilization for two-body terms relative to a theoretical peak utilization. To the best of our knowledge, this is the first study to exploit arbitrary sparsity in orbital interactions for efficient computation on one-dimensional qubit connectivity layouts. The proposed algorithms form the basis for extension to map general k-body interactions that arise in other domains onto generalized qubit connectivity layouts.

quantum computing, Combinatorial Optimization, hyp↗

Corn and Switchgrass Derived Sustainable Aviation Fuel Carbon Intensity

The production and use of sustainable aviation fuel (SAF) could lower aviation's carbon footprint. Feedstock agricultural management can optimize—or potentially determine—SAF sustainability and profitability, but long-term SAF feedstock comparisons are limited. Life cycle assessments (LCA) are commonly used to estimate the carbon intensity of producing SAF from emerging feedstocks due to the limited availability of long-term, primary field data. We quantified the agricultural phase and well-to-wake (WTWa) carbon intensities of producing SAF from no-till, continuous corn (Zea mays L.) under 120 kg N ha−1 year−1 (120 N corn) and switchgrass (Panicum virgatum L.) under 60 or 120 kg N ha−1 year−1 (60 N and 120 N SWG, respectively) via LCAs based on measured data from a long-term (1998-present) field experiment on marginally productive cropland located in Eastern NE, USA. Measured data included crop productivity, long-term changes in soil organic carbon (SOC) stocks (0–150 cm), annual soil N2O emissions, and field management practices. Both 120 N corn (2078 L ha−1) and 120 N SWG (1752 L ha−1) produced more SAF than 60 N SWG (1229 L ha−1) (p < 0.0001). However, making SAF from corn had greater life cycle GHG emissions (i.e., WTWa carbon intensity) than making SAF from 120 N and 60 N SWG (61.5 > −14.5 and −27.5 g CO2e MJ−1 SAF, respectively; p = 0.0007), primarily due to SOC accrual during crop production. Here, we demonstrate that agricultural management (e.g., crop type, fertilizer use) can determine the sustainably and productivity of producing SAF by using long-term, measured field data in LCAs.

carbon intensity↗

The Vertebrate Breed Ontology: Toward Effective Breed Data Standardization

Abstract Background Limited universally-adopted data standards in veterinary medicine hinder data interoperability and therefore integration and comparison; this ultimately impedes the application of existing information-based tools to support advancement in diagnostics, treatments, and precision medicine. Hypothesis/Objectives A single, coherent, logic-based standard for documenting breed names in health, production, and research-related records will improve data use capabilities in veterinary and comparative medicine. Animals No live animals were used. Methods The Vertebrate Breed Ontology (VBO) was created from breed names and related information compiled from the Food and Agriculture Organization of the United Nations, breed registries, communities, and experts, using manual and computational approaches. Each breed is represented by a VBO term that includes breed information and provenance as metadata. VBO terms are classified using description logic to allow computational applications and Artificial Intelligence–readiness. Results VBO is an open, community-driven ontology representing over 19 500 livestock and companion animal breed concepts covering 49 species. Breeds are classified based on community and expert conventions (e.g., cattle breed) and supported by relations to the breed's genus and species indicated by National Center for Biotechnology Information (NCBI) Taxonomy terms. Relationships between VBO terms (e.g., relating breeds to their foundation stock) provide additional context to support advanced data analytics. VBO term metadata includes synonyms, breed identifiers/codes, and attributed cross-references to other databases. Conclusion and Clinical Importance The adoption of VBO as a standard for breed names in databases and veterinary electronic health records enhances veterinary data interoperability and computability, supporting precision medicine.

Veterinary Sciences↗

Enhancing Lithium-Ion Battery Aging Simulations: Coupling a High-Resolution, 3D, Grain-Scale Electromechanical Model to a Single-Particle Model

One of the main goals in modeling lithium-ion batteries is to improve/predict longevity and resilience of new chemistries. Unfortunately, this requires simulation of thousands of charge/discharge cycles, which can be rather time consuming depending on the fidelity of the simulation. The purpose of this talk is to discuss a new modeling framework that couples a high-resolution, continuous damage model (CDM) to a single particle model (SPM) resulting in a good combination of speed and fidelity. In previous work, a 3D, continuum-level chemo-mechanical model was developed to investigate cracking within a single cathode particle comprised of hundreds to thousands of randomly oriented grains. The CDM predicted that particle fracture is primarily due to non-ideal grain interactions with slight dependence on high-rate charge demands. Essentially, when neighboring grains were misaligned, they expanded different rates relative to one another leading to high stresses and ultimately the formation of intraparticle cracks. The model predicted that small particles with large grains develop significantly less damage than larger particles with small grains. Finally, the model predicted most of the chemo-mechanical damage accumulates in the first charge after formation. This chemo-mechanical "damage saturation" effect indicated that initial particle fracture occurs within the first few cycles, while long-term cathode degradation is not solely chemo-mechanically induced. This led to a need for simulating fatigue-like mechanism that degrade the battery over longer time scales. In order to reach the time scales, need to resolve fatigue-like degradation, the CDM needs to be complemented by a faster model. Therefore, recent efforts have been focused on using results from the CDM to inform parameters within the SPM. These parameters are homogenization factors that are associated with diffusion, particle radius, and/or exchange current density. By coupling the CDM to the SPM, the aging simulation is broken up into two domains: short-term and long-term degradation. The short-term degradation occurs over a single cycle and is handled by the CDM due of its high fidelity, but relatively expensive computational cost. Such mechanism include break-in crack caused by mismatches in grain orientation. The long-term degradation occurs over tens of cycles and is handled by the SPM due it's computational efficiency. Most of the fatigue-like mechanism fall into this category. The eventual goal of this modeling framework is to upscale to a psudo-2D model allowing for full electrode simulation, which are informed by high-fidelity grain-scale simulations.

electrochemistry↗

Semi-Implicit Computation of Fast Modes in a Scheme Integrating Slow Modes by a Leapfrog Method Based on a Selective Implicit Time Filter

Abstract A scheme for integration of atmospheric equations containing terms with differing time scales is developed. The method employs a filtered leapfrog scheme utilizing a fourth-order implicit time filter with one function evaluation per time step to compute slow-propagating phenomena such as advection and rotation. The terms involving fast-propagating modes are handled implicitly with an unconditionally stable method that permits application of larger time steps and faster computations compared to fully explicit treatment. Implementation using explicit and recurrent formulation is provided. Stability analysis demonstrates that the method is conditionally stable for any combination of frequencies involved in the slow and fast terms as they approach the origin. The implicit filter used in the method damps the computational modes without noticeably sacrificing the accuracy of the physical mode. TheO[(Δt 4 )] accuracy for amplitude errors achieved by the implicitly filtered leapfrog is preserved in applications where terms responsible for fast propagation are integrated with a semi-implicit method. Detailed formulation of the method for soundproof nonhydrostatic anelastic equations is provided. Procedures for implementation in global spectral shallow-water models are also given. Examples comparing numerical and analytical solutions for linear gravity waves demonstrate the accuracy of the scheme. The performance is also shown in more practical nonlinear applications, where numerical solutions accomplished by the method are evaluated against those computed from a scheme where the slow terms are handled by the third-order Runge–Kutta scheme. It demonstrates that the method is able to accurately resolve fine-scale dynamics of Kelvin–Helmholtz shear instabilities, the evolution of density current, and nonlinear drifts of twin tropical cyclones.

Meteorology & Atmospheric Sciences↗

Variation in morpho-physiological and metabolic responses to low nitrogen stress across the sorghum association panel

Abstract Background Access to biologically available nitrogen is a key constraint on plant growth in both natural and agricultural settings. Variation in tolerance to nitrogen deficit stress and productivity in nitrogen limited conditions exists both within and between plant species. However, our understanding of changes in different phenotypes under long term low nitrogen stress and their impact on important agronomic traits, such as yield, is still limited. Results Here we quantified variation in the metabolic, physiological, and morphological responses of a sorghum association panel assembled to represent global genetic diversity to long term, nitrogen deficit stress and the relationship of these responses to grain yield under both conditions. Grain yield exhibits substantial genotype by environment interaction while many other morphological and physiological traits exhibited consistent responses to nitrogen stress across the population. Large scale nontargeted metabolic profiling for a subset of lines in both conditions identified a range of metabolic responses to long term nitrogen deficit stress. Several metabolites were associated with yield under high and low nitrogen conditions. Conclusion Our results highlight that grain yield in sorghum, unlike many morpho-physiological traits, exhibits substantial variability of genotype specific responses to long term low severity nitrogen deficit stress. Metabolic response to long term nitrogen stress shown higher proportion of variability explained by genotype specific responses than did morpho-pysiological traits and several metabolites were correlated with yield. This suggest, that it might be possible to build predictive models using metabolite abundance to estimate which sorghum genotypes will exhibit greater or lesser decreases in yield in response to nitrogen deficit, however further research needs to be done to evaluate such model.

59 BASIC BIOLOGICAL SCIENCES↗

Materials scarcity during the clean energy transition: Myths, challenges, and opportunities

Abstract Efforts to reach net zero targets by the second half of the century will have profound materials supply implications. The anticipated scale and speed of the energy transition in both transportation and energy storage raises the question of whether we risk running out of the essential critical materials needed to enable this transition. Early projections suggest that disruptions are likely to occur in the short term for select critical materials, but at the same time these shortages provide a powerful incentive for the market to respond in a variety of ways before supply-level stress becomes dire. In April 2023, the MRS Focus on Sustainability subcommittee sponsored a panel discussion on the role of innovation in materials science and engineering in supporting supply chains for clean energy technologies. Drawing on examples from the panel discussion, this perspective examines the myth of materials scarcity, explains the compelling need for innovation in materials in helping supply chains dynamically adapt over time, and illustrates how the Materials Research Society is facilitating engagement with industry to support materials innovation, now and in the future. Graphical Abstract Highlights In this commentary, we examine the myth of materials scarcity, explain the compelling need for innovation in materials in helping supply chains dynamically adapt over time, and show how the materials research community can effectively engage with industry, policymakers, and funding agencies to drive the needed innovation in critical areas. Discussion Demand for certain materials used in clean energy technologies is forecasted to increase by multiples of current production over the next decades. This has drawn attention to supply chain risks and has created a myth that we will “run out” out of certain materials during the energy transition. The reality is that markets have multiple mechanisms to adapt over the long-term, and near-term shortages or expectations of shortages provide a powerful incentive for action. In this commentary, we highlight different ways materials innovation can help solve these issues in the near term and long term, and how the materials research community can effectively engage with industry and policymakers.

Ku, Anthony Y. (ORCID:0000000337622914)↗

AOI2 - Initial Engineering, Testing, and Design of a Commercial-Scale Postcombustion CO 2 Capture System on an Existing Coal-Fired Generating Unit (Project Carbon)

The continued long-term use of North Dakota lignite is likely dependent on creating a business case for carbon capture, utilization, and storage (CCUS) that also addresses society’s desire to reduce carbon emissions. CCUS coupled with enhanced oil recovery appears to be the most feasible option for utilities to sustain and grow the lignite industry. Establishing a market where lignite-powered utilities provide carbon dioxide (CO 2 ) to oil producers depends upon having a cost-effective method to capture CO 2 . The application of CO 2 capture technology to lignite-fired flue gas has challenges in addition to the cost of capture, including the effects of the buildup of heat-stable salts, aerosol formation, degradation of solvents or solid sorbents, or subsequent solvent loss. Lignite, especially North Dakota lignite, presents its own set of challenges that include the combination of high sodium, sulfur, and ash contents; NO x reduction; and footprint limitations. Project Carbon was designed to address these technical barriers and provide pre-FEED (preliminary front-end engineering and design) information necessary for additional commercial demonstrations to move forward. A long-term pilot-scale evaluation of Mitsubishi Heavy Industries’ (MHI’s) KS-1™ solvent at Minnkota Power Cooperative’s lignite-fired Milton R. Young Station Unit 2 (MRY2) was a major objective of the project. The purpose of the test was to demonstrate the technology’s compatibility with MRY2’s flue gas over an extended period of time. During the long-term test, aerosol sampling and measurement were performed, and a pilot-scale baghouse was tested to determine the effect of bag material and operation on aerosol concentrations in the flue gas. Project engineering and design work were performed to support the other major project objective: a pre-FEED study of CO 2 capture at MRY2. Finally, a techno-economic assessment (TEA) of the application of CO 2 capture to MRY2 was performed. This project was performed over a period of 28 months, with a total budget of $12,700,000. The U.S. Department of Energy’s (DOE’s) National Energy Technology Laboratory, through the Energy & Environmental Research Center’s (EERC’s) Cooperative Agreement, the North Dakota Industrial Commission, and industry partners ALLETE and Minnkota Power Cooperative, funded the project. The pilot-scale test system at MRY2 performed very well for the continuous test period of 83 days. The CO 2 capture plant achieved stable operation while utilizing MHI’s KS-1™ solvent and the MHI amine emission reduction unit. No major concerns were encountered when capturing CO 2 from lignite-fired flue gas. Challenges were encountered because the cooling water temperature was warmer than needed for the capture system to operate efficiently. This affected the ability of the solvent to capture CO 2 and promoted solvent loss through solvent entrainment caused by high CO 2 gas temperature within a cyclone separator. The KS-1™ solvent and the lignite-derived flue gas were analyzed during the long-term test. Analysis of the solvent indicates that, although some metals and heat-stable salts increased over the course of the long-term test, they were at levels that can be treated with filtration and reclaiming and do not pose a concern for effective solvent operation. Fourier transform infrared (FTIR) spectrometry was successfully used to determine the composition of the lignite-derived flue gas as well as concentrations of select components of the flue gas at various locations within the EERC’s CO 2 capture system. The formation of aerosols during the capture process is of interest, as are approaches for their reduction, especially in a baghouse. Testing of aerosol removal was performed using the EERC’s portable baghouse. It was found that both Ryton and polytetrafluoroethylene (PTFE) membrane bags were effective at reducing the level of aerosols during steady-state operation. During backpulse events, however, the amount of aerosols passing through the bags was an order of magnitude lower for the Ryton bags than the PTFE membrane bags. The testing showed that proper design of the baghouse air-to-cloth ratio as well as minimization of backpulsing can dramatically reduce the amount of aerosols that pass through the bags and remain in the flue gas stream exiting a baghouse system. A technology maturation plan (TMP) was performed to enable successful development of the Kansai Mitsubishi Carbon Dioxide Recovery® (KM CDR®) Process for application to a combustion flue gas for which the process has not yet been demonstrated. In the TMP, new challenges to the MHI CO 2 capture technology during its application to MRY2 were identified. These challenges included capture from lignite-fired (as opposed to subbituminous coal-fired) flue gas, a larger scope than previous applications of the technology, and implementation in a colder climate that could affect process and equipment operability. Because MRY2 is located where stack icing in the winter could be problematic, a rime icing study was performed. Rime icing modeling indicated that, under both 100% and 50% operating loads, there is a potential for many icing events during any given part of the year in which below-freezing weather conditions exist. The models showed that a critical amount of rime ice could be formed at the stack top during two or more events per year. CO 2 capture plant stack height and location will need to be determined in order to minimize the formation of rime ice. It was found that the integration of the MHI CO 2 capture process into the normal operation of the MRY2 steam turbine is a viable alternative to a cogeneration facility to provide steam and power for the carbon capture facility. The research performed under this project showed that CO 2 capture at a lignite-fired power plant can successfully be performed. No known fatal flaws that would prevent the continued development of the MRY2 CO 2 capture facility were identified during the pre-FEED study. A TEA performed following DOE methodology shows that applying capture technology to MRY2 may not only meet but exceed the DOE-recognized state-of-the-art baseline.

20 FOSSIL-FUELED POWER PLANTS↗

Carbon Dioxide Utilization for Plasma Nanosynthesis of Carbon

This DOE Phase I SBIR project has developed a glow discharge-based plasma process to convert carbon dioxide to sold carbon and water. By adding natural gas, the additional enthalpy can be used to reform the output carbon dioxide to value added carbon and EPA-compliance-grade water, thus creating a process that has no gaseous products at all, such as: CO 2 + CH 4 → 2C + 2H 2 O, which is simply the exothermic reverse of the syngas reaction. During the Phase I work, several milestones were accomplished successfully. a. First, a synthesis reactor was designed, assembled, and successfully operated using the combined simultaneous operation of glow discharge and microwaves. DC discharge and microwaves can also be operated individually, allowing multiple configurations to be used This is one of the first reactors of its kind, and perhaps the first ever. b. Second, the research team successfully produced carbon nanomaterials using carbon dioxide as the source of carbon via CO 2 + 2H 2 → C + 2H 2 O. This is certainly one of the first processes to use plasma to convert carbon dioxide to nanocarbon, and perhaps the first ever demonstration. c. Third, it was also shown that carbon monoxide and carbon dioxide can be used with methane to reduce the synthesis temperature of ASI graphene decorated carbon nanotubes (GDCNT). Hitherto GDCNT were only fabricated above 1200 °C. GDCNT was synthesized at 780 °C. CO 2 + C → 2CO; 2 CO + CH 4 → 3 C + 2H 2 O, and also, CH 4 + CO 2 → 2 C + 2H 2 O. d. Fourth, closed cycle synthesis of nanomaterial was demonstrated with over 80% conversion of carbon dioxide to carbon and water was achieved, on the basis of pressure drop during glow discharge. e. Fifth, plasma operation was achieved via glow discharge and microwaves at 500 Torr, demonstrating a path forward to atmospheric pressure operation f. Sixth, using carbon monoxide and carbon dioxide in an electrothermal furnace, we produced 350 grams per hour of high-quality nanotubes in a single furnace, compared to 200 grams per hour for the commercial process. Controlling the enthalpy prevents self-extinguishing hot gas pyrolysis. Thus, carbon dioxide enhances the properties and reduces the production cost. This is a near term advance that can go into trial production in the near term. g. Seventh, economic analysis suggests an economic plan forward, producing carbon nanotubes for less than $50 per pound. The use of hydrogen and carbon dioxide as the feedstocks is acceptable from a cost basis, and in fact hydrogen is less expensive than carbon monoxide. Niche applications are available in the near term, though quantities relevant to sequestration remain a far-term goal. h. Eighth, though it was not the research team’s intention to create a new process for producing carbon monoxide, it was realized that almost by accident we demonstrated plasma reforming of carbon dioxide via a plasma version of the reverse Boudouard reaction. Accordingly, we have contacted a major gas manufacturer (Matheson Gas) to determine whether there is interest in creating an industrial version of the process. i. Ninth, a long-range strategy is identified in which a progressively more carbon-conscious world will seek to create solid carbon as a means of sequestering carbon dioxide, impeding its return to the atmosphere. In the long term the price must drop by orders of magnitude with larger production, and assuming success, solid carbon could be the preferred form for sequestration rather than underground storage. If carbon can be made as cheaply as dirt, or nearly so, then it can serve a useful purpose as structural material for housing, soil amendments in agriculture and fillers to modify low areas.

03 NATURAL GAS↗

COVID-19 and the Power Sector in Southeast Asia: Impacts and Opportunities

The COVID-19 pandemic is unique among the range of threats encountered over the last century, and its specific impacts do not necessarily resemble those of other disasters. In the near term, the pandemic is causing demand shocks, workforce impacts, supply chain complications, and a global, economic contraction with long-term consequences as yet unknown. In contrast, with natural disasters the principal impacts are more acute. These include infrastructure destruction, displaced populations, and often localized economic impact; however, the long-term response to both of these threats–pandemics and destructive forces of nature–requires similar approaches to building short-term and long-term resilience that prepare power sectors for safe and reliable operation during times of disruption.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

WSF PISA example for SAFER pilot

On October 15, 2021, the Radioactive and Hazardous Waste Management Facility Manager declared a Potential Inadequacy in the Safety Analysis (PISA) due to a new information relating to an error discovered in calculation AB-WSF-20-002. Calculation AB-WSF-20-002 is used to determine source terms and heat release rates for vehicle and aircraft impacts with fuel fires involving TRU waste containers. The source term for an aircraft’s impact has different source terms factors (i.e., DR, ARF, RF, LPF) that are applied to multiple categories of drums impacted in the accident scenario based on the physical stresses of the aircraft impact and involvement in the subsequent fuel pool fire. The source terms of the multiple categories of affected drums are summed to determine the final source term for the accident scenario. Certain categories of affected drums are modeled to lose their lid, causing material to eject and burn unconfined on the ground. For these specific categories, a lower ARF value was incorrectly applied in AB-WSF-20-002 (i.e., an ARF value of 1E-3 was used instead of the DOE-STD-5506-2007 directed ARF value of 1E-2). For these categories, the ARF is applied to a relatively small number of low-activity drums (i.e., 17 drums at 2.9 PE-Ci each) compared to the total number of drums affected (i.e., 166 drums totaling 621.8 PE-Ci). Therefore, this error is not expected to significantly increase final dose for the accident scenario. No immediate actions or compensatory measures are required to maintain the facility in a safe condition.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Process with Decoupled Absorber Kinetics and Solvent Regeneration through Membrane Dewatering and In-Column Heat Transfer (Final Report)

This report summarizes the work conducted on project DE-FE0031604 where University of Kentucky Center for Applied Energy (UK CAER) has validated its intensified CO 2 capture process through substantial enhancements to the kinetics of the absorption process and energy reductions by absorber temperature profile modification, dewatering and heat integration technologies for achieving significant capital and operating cost reductions. To address DOE’s objective of improving post-combustion CO 2 capture technology and reducing associated cost, UK CAER employed an intensified process which combined three key aspects targeted at overcoming inherent limitations or barriers in the conventional CO 2 capture and desorption process. The process designed to be independent of the type of solvent used, included (1) the use of 3-D printed two-channel structured packing material to control the temperature profile and increase the CO 2 absorption rate in the absorber, (2) a zeolite membrane dewatering unit for dewatering of the carbon-rich solvent to decouple solvent concentration needs for CO 2 absorption and desorption, and (3) a rich-split feed with two-phase flow heat transfer prior to the stripper that provided a secondary point of vapor generation to provide energy savings in steam extraction and solvent regeneration. The project was executed over two budget periods. This involved testing of individual process components which included the advanced heat transfer packing and the dewatering membrane on UK CAER’s 30 liter per minute (L/min) CO 2 (3” Column) capture bench unit with simulated flue gas in the first budget period. Subsequent scaled-up testing of these components together with the split-feed configuration were also tested in UK CAER’s 0.1 MWth CO 2 capture unit with coal-derived flue gas in the second-budget period. Long term studies were done during this period to assess process and solvent performance over extended duration. Project partners Lawrence Livermore National Laboratory (LLNL) and Media & Process Technology (MPT) led the development efforts for the advanced packing material and dewatering membrane respectively. Data from the long term testing was used as input for an environmental, health and safety (EH&S) assessment for the process and scaled technology performed by ALL4 LLC. Trimeric Corporation also completed a techno-economic analysis (TEA) for the UK CAER technology which was compared to the DOE reference Case B12B. Tests on the 3” column capture unit showed that the advanced heat transfer packing could be used to lower the bulge temperature in the absorber, and this was also proven in the scaled testing in the 0.1 MWth CO 2 capture unit. The bulge temperature could be lowered by >10 °C, changing the temperature profile in the absorber, and showed potential to enhance absorption with the ability to tailor the profile to provide conditions suitable for a solvent’s properties and kinetics. Conditions for short term evaluation of a 19” zeolite dewatering membrane on the 3” column capture unit yielded desirable fluxes and sustained rejection rates of >80%. However, for the scaled testing of six membrane modules consisting of 21 parts of 31-inch-long membrane tubes in each bundle (surface area 0.3 m 2 ), over a more extended duration, similar rejection rates could not be achieved. With the split-feed of the rich stream to the stripper, improved heat recovery minimized waste heat exiting the top of the stripper. The stripper exhaust temperatures could be reduced by >10 °C; reducing the amount of water vaporization contributed to lowering the regeneration energy by ~ 15%. The energy benefit could be sustained from the long term monitoring of the solvent performance. The solvent properties were not significantly impacted over the long-term operations. The benefits of the UK CAER process demonstrated experimentally were mostly validated from the TEA comparing a commercial scale application of the technology to DOE reference Case B12B. The cost of CO 2 capture for the UK CAER technology was estimated to be ~$34.97/tonne of CO 2 captured; a reduction of 23% compared to Case B12B. The increase in cost of electricity was also shown to be 16% lower than that of Case B12B. The total parasitic demand was also shown to be 11% lower. The key drivers for the benefits are a result of the process intensification approaches employed in the UK CAER technology for enhanced solvent performance, effective heat recovery and improved energy performance. The EH&S assessment did not find any major environmental concerns or barriers to the full scale implementation of the technology.

20 FOSSIL-FUELED POWER PLANTS↗

Light Water Sustainability Program: Optimizing Information Automation Using a New Method Based on System-Theoretic Process Analysis

This report describes the interim progress for research supporting the design and optimization of information automation systems for nuclear power plants. Much of the domestic nuclear fleet is currently focused on modernizing technologies and processes, including transitioning toward digitalization in the control room and elsewhere throughout the plant, along with a greater use of automation, artificial intelligence, robotics, and other emerging technologies. While there are significant opportunities to apply these technologies toward greater plant safety, efficiency, and overall cost-effectiveness, optimizing their design and avoiding potential safety and performance risks depends on ensuring that human-performance-related organizational and technical design issues are identified and addressed. This report describes modeling tools and techniques, based on sociotechnical system theory, to support these design goals and their application in the current research effort. The report is intended for senior nuclear energy stakeholders, including regulators, corporate management, and senior plant management. We have developed and employed a method to design an optimized information automation ecosystem (IAE) based on the systems-theoretic constructs underlying sociotechnical systems theory in general and the Systems-Theoretic Accident Modeling and Processes (STAMP) approach in particular. We argue that an IAE can be modeled as an interactive information control system whose behavior can be understood in terms of dynamic control and feedback relationships amongst the system’s technical and organizational components. Up to this point, we have employed a Causal Analysis based on STAMP (CAST) technique to examine a performance- and safety-related incident at an industry partner’s plant that involved the unintentional activation of an emergency diesel generator. This analysis provided insight into the behavior of the plant’s current information control structure within the context of a specific, significant event. Our ongoing analysis is focused on identifying near-term process improvements and longer-term design requirements for an optimized IAE system. The latter analyses will employ a second STAMP-derived technique, System-Theoretic Process Analysis (STPA). STPA is a useful modeling tool for generating and analyzing actual or potential information control structures. Finally, we have begun modeling plantwide organizational relationships and processes. Organizational system modeling will supplement our CAST and STPA findings and provide a basis for mapping out a plantwide information control architecture. CAST analysis findings indicate an important underlying contributor to the incident under investigation, and a significant risk to information automation system performance, was perceived schedule pressure, which exposed weaknesses in interdepartmental coordination between and within responsible plant organizations and challenged the resilience of established plant processes, until a human caused the initiating event. These findings are discussed in terms of their risk to overall system performance and their implications for information automation system resilience and brittleness. We present two preliminary information automation models. The proactive issue resolution model is a test case of an information automation concept with significant near-term potential for application and subsequent reduction in significant plant events. The IAE model is a more general representation of a broader, plantwide information automation system. From our results, we have generated a set of preliminary system-level requirements and safety constraints. These requirements will be further developed over the remainder of our project in collaboration with nuclear industry subject matter experts and specialists in the technical systems under consideration. Additionally, we will continue to pursue the system analyses initiated in the first part of our effort, with a particular emphasis on STPA as the main tool to identify weak or weakening control structures that affect the resilience of organizations and programs. Our intent is to broaden the scope of the analysis from an individual use case to a related set of use cases (e.g., maintenance tasks, compliance tasks) with similar human-system performance challenges. This will enable more generalized findings to refine the Proactive Issue Resolution and IAE models, as well as their system-level requirements and safety constraints. We will use organizational system modeling analyses to supplement STPA findings and model development. We conclude the report with a set of summary recommendations and an initial draft list of system-level requirements and safety constraints for optimized information automation systems.

99 GENERAL AND MISCELLANEOUS↗

Optimizing Information Automation Using a New Method Based on System-Theoretic Process Analysis: Tool Development and Method Evaluation

This report is an update to a prior report that describes progress and findings for a program of research supporting the design and optimization of information automation systems for nuclear power plants. Much of the domestic nuclear fleet is currently focused on modernizing technologies and processes, including transitioning toward digitalization in the control room and throughout the plant, along with a greater interest in the use of automation, artificial intelligence, robotics, and other emerging technologies. While there are significant opportunities to apply these technologies toward greater plant safety, efficiency, and overall cost-effectiveness, optimizing their design and avoiding potential safety and performance risks depends on ensuring that human performance-related organizational and technical design issues are identified and addressed early in the design process. This report describes modeling tools and techniques, based on sociotechnical systems theory, to support these design goals and their application in the current research effort. The report is primarily intended for senior nuclear energy stakeholders, including regulators, corporate management, and senior plant management. We have developed and employed a method to design an optimized information automation ecosystem (IAE) based on the systems-theoretic constructs underlying sociotechnical systems theory in general and the Systems-Theoretic Accident Modeling and Processes (STAMP) approach in particular. We argue that an IAE can be modeled as an interactive information control system whose behavior can be understood in terms of dynamic control, feedback, and communication relationships amongst the system’s technical and organizational components. We have employed two STAMP-based tools in this effort. The first is Causal Analysis based on STAMP (CAST), an accident and incident analysis technique that was used to examine a performance- and safety-related incident at an industry partner’s plant involving the unintentional activation of an emergency diesel generator. This analysis provided insight into the behavior of the plant’s current information control structure within the context of a specific, significant event. The second tool is Systems Theoretic Process Analysis (STPA) which is a proactive risk analysis tool used to examine existing and potential, planned sociotechnical systems. STPA was used to identify risk factors in the current design of a generic nuclear power plant (NPP) preventive maintenance system. Our analyses focused on identifying near-term system improvements and longer-term design requirements for an optimized IAE system. CAST analysis findings indicate an important underlying contributor to the incident under investigation, and a significant risk to information automation system performance, was perceived time and schedule pressure, which exposed weaknesses in interdepartmental coordination between and within responsible plant organizations and challenged the resilience of established plant processes, until a human caused the eventual event. These findings are discussed in terms of their risk to overall system performance and their implications for information automation system resilience and brittleness. STPA findings exposed several areas of concern in the design of current preventive maintenance systems. We also present two preliminary information automation models. The proactive issue resolution (PIR) model is a test case of an information automation concept with significant near-term potential for application and subsequent reduction in significant plant events. The IAE model is a more general representation of a broader, plantwide information automation system and represents an end-state vision for our work. From our results, we have generated an initial set of preliminary system-level requirements and safety constraints for these models. We have also focused on early development of easy to learn, easy to use “transportable” tools for sociotechnical systems analysis. We intend these to be used by NPP personnel as a means of gaining reliable and relatively quick insight into (1) sociotechnical systems factors impacting incidents and accidents, (2) potential sociotechnical risk factors in existing or planned system designs, and (3) potential weaknesses in a system’s safety and/or information control structure. We conclude the report with a set of summary recommendations, a discussion of planned and potential follow-on research and development, and a draft list of system-level requirements and safety constraints for optimized information automation systems.

99 GENERAL AND MISCELLANEOUS↗

Radiological Releases from Novel Fuel Forms in Advanced Reactors During Severe Accidents for Consequence Analyses

Various advanced reactor developers are exploring the potential for reductions in the size of physical security forces and emergency planning zones. These reductions are based on robust fuel forms and inherently safe reactor designs. However, such reductions in physical protection measures could increase the risk of sabotage. To assess the possibility of reducing these measures, sabotage-induced radiological consequence analyses were carried out. These analyses considered accident scenarios that were beyond design basis accidents and overly conservative (Shah, 2025a; Shah, 2025b; Shah and Hartanto, 2026), yielding very large release fractions. These fractions, which can be used to evaluate physical protection and emergency planning requirements, have been crudely determined and applied as demonstrations for a sodium-cooled fast reactor (SFR) (Shah and Hartanto, 2025a), a high-temperature gas-cooled reactor (HTGR) (Shah and Hartanto, 2025b), a heat pipe–cooled reactor (HPR) (Shah and Hartanto, 2025c), and a molten salt–cooled reactor (MSR) (Shah et al., 2026). A Sandia National Laboratories (SNL) team used MELCOR—a fully integrated severe accident analysis code—to demonstrate the code’s capability to analyze advanced (i.e., not light water–cooled) reactors (including a fluoride salt–cooled high-temperature reactor [FHR]) and calculate radiological releases to the environment during severe accidents (Wagner et al., 2022a, 2022b, 2022c, 2023a, and 2023b). Although the analyses were carried out to demonstrate MELCOR’s growing capability, the release source terms were estimated for advanced reactors, providing valuable insights into the accident progression and radiological releases. These findings from prior SNL studies, including estimated source terms and related sensitivity studies, were leveraged to derive source terms for postulated sabotage-induced accidents. Insights from these sensitivity studies informed the scaling of SNL’s estimated source terms for the defined accident scenarios. The derived release fractions for the severe accident scenarios for the respective reactor designs can be used to perform more nuanced dose consequence analyses to evaluate the reactors’ physical protection and emergency planning zone requirements. These analyses are in accordance with the risk-informed, performance-based approach proposed under 10 CFR Part 53. This study builds on the prior source term analyses and associated sensitivity studies by SNL to derive time-dependent and design-informed release fractions. Section 2 describes the diverse advanced reactor designs analyzed by the SNL team. Section 3 discusses the severe accident analyses, the release fractions calculated, and the limitations and assumptions of the demonstration project. Section 4 presents the release percentages derived for the hypothetical sabotage-induced severe accidents at the advanced reactors. Section 5 summarizes the study’s findings and conclusions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ordering of Trotterization: Impact on Errors in Quantum Simulation of Electronic Structure

Trotter–Suzuki decompositions are frequently used in the quantum simulation of quantum chemistry. They transform the evolution operator into a form implementable on a quantum device, while incurring an error—the Trotter error. The Trotter error can be made arbitrarily small by increasing the Trotter number. However, this increases the length of the quantum circuits required, which may be impractical. It is therefore desirable to find methods of reducing the Trotter error through alternate means. The Trotter error is dependent on the order in which individual term unitaries are applied. Due to the factorial growth in the number of possible orderings with respect to the number of terms, finding an optimal strategy for ordering Trotter sequences is difficult. In this paper, we propose three ordering strategies, and assess their impact on the Trotter error incurred. Initially, we exhaustively examine the possible orderings for molecular hydrogen in a STO-3G basis. We demonstrate how the optimal ordering scheme depends on the compatibility graph of the Hamiltonian, and show how it varies with increasing bond length. We then use 44 molecular Hamiltonians to evaluate two strategies based on coloring their incompatibility graphs, while considering the properties of the obtained colorings. We find that the Trotter error for most systems involving heavy atoms, using a reference magnitude ordering, is less than 1 kcal/mol. Relative to this, the difference between ordering schemes can be substantial, being approximately on the order of millihartrees. The coloring-based ordering schemes are reasonably promising—particularly for systems involving heavy atoms—however further work is required to increase dependence on the magnitude of terms. Finally, we consider ordering strategies based on the norm of the Trotter error operator, including an iterative method for generating the new error operator terms added upon insertion of a term into an ordered Hamiltonian.

97 MATHEMATICS AND COMPUTING↗

Development of an Unmanned Mobile Current Turbine Platform: Preprint

The design and development of a prototype unmanned mobile floating platform, equipped with a custom low-flow marine current turbine for autonomously seeking and harnessing tidal/coastal currents is described. The platform is an unmanned surface vehicle in the form of a catamaran with two electric outboard motors and capabilities for autonomous navigation. An undershot water wheel, aided by a custom flow concentrator, has been selected as the basic design for the marine current turbine, which is mounted on the stern of the unmanned surface vehicle platform. The concept of operation is that the platform would navigate to a designated marine current resource, autonomously anchor at the location, align itself in the current and deploy the current turbine using a custom cable-lift deployment mechanism. As the turbine harnesses the local current, an onboard power-take-off device converts the harnessed mechanical energy to electricity which is stored in onboard batteries. Considerations of deployment in tidal and coastal waters required obtaining the necessary environmental permits for conducting in-water testing; developing required mitigation measures in protecting local wildlife and their habitats; and identifying potential in-water test sites and surveying them for their suitability in terms of the current resource, bottom type, water depth, and local boat traffic. The design and development of the turbine and the results of initial in-water testing are discussed. The potential for scaling up the system for extended capacity is presented.

ENGINEERING,TIDAL AND WAVE POWER↗