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At least 559 records · Page 31

Heliostat Consortium: Gap Analysis on Wind Load for Achieving a Fully Competitive Heliostat Industry

The Heliostat Consortium (HelioCon) Wind Load Subtask was initiated with the aim of bringing research work pertaining to wind load measurement, characterization, and prediction taking place across several tasks, including Advanced Manufacturing, Components and Controls, and Field Deployment. The cross-cutting wind load subtopic in the HelioCon roadmap report [1] highlighted standardized methods and tools that are needed for a more detailed understanding of the static and dynamic loads on a heliostat. This will enable cost reduction of wind-dependent heliostat components to avoid unnecessarily conservative, overly constrained designs and increase field efficiency/reliability, to reduce the risk of component failures due to high-wind events (>15 m/s). Gaps related to heliostat wind load include site characterization for wind measurements, critical load cases for heliostat design, turbulence impacts on heliostat tracking error, testing of heliostat array configurations, understanding spatial variation of maximum loads across the solar field, and heliostat field layout and operating strategies. The recommended highest-priority pathway as first steps taken by HelioCon to address these gaps are to develop site characterization guidelines for heliostat design and field load measurements.

Emes, Matthew (ORCID:0000000341474387)↗

BETO 2021 Peer Review - 1.3.2.001 - Algae Biomass Composition

Addressing critical improvements in biomass productivity and associated biochemical composition is a priority for the economic and sustainable commercial development of biofuels and bioproducts from algae. Capitalizing on pathways that integrate engineering approaches with fundamental biochemistry of photosynthetic organisms will lead to a better understanding of the complex nexus of algae growth rates, productivity and composition. This project focuses on identifying the critical factors for economic development of fuel and bioproduct technologies. Algal compositional characteristics form the foundation of robust economic and business models. This project supports that foundation by developing and validating accurate compositional methods and disseminating them to the greater community. Simultaneously, we build a deep understanding of the dynamic biochemical composition and carbon allocation for biomass value and conversion yields. A co-product portfolio developed under this project demonstrated a 30% increase in intrinsic value. Additionally, an integrated pipeline of molecular diversity mapping for product discovery with quantitative demonstration across species was deployed over the BETO algae program. The advances made here are highly relevant to BETO's multi-year program targets of reducing costs and integrating dynamic biomass composition with conversion processes to provide options for bioproducts, all leveraging the molecular diversity of algae.

algal compositional characteristics↗

High-Resolution Sampling of a River Plume Front with Uncrewed Underwater and Aerial Vehicles

Sampling fast-propagating oceanic features is inherently challenging and demands versatile instrumentation and innovative strategies. This paper introduces a novel sampling strategy designed to capture such phenomena, exemplified by a river plume front. Our method revolves around modifying the preprogrammed pathway of an uncrewed underwater vehicle (UUV) to dynamically track and three-dimensionally sample the evolution of the front. To enable the UUV to follow the feature, we adapt the use of a drifting gateway buoy to be positioned and trapped at the front’s convergence zone, allowing underway navigation relative to the buoy. In our demonstration, we showcase the effectiveness of this strategy by successfully conducting over 30 crossings of a river plume front within a 6-h window. The UUV sensors allowed a comprehensive assessment of key front characteristics, including density, velocity, and turbulence. Supplemental drone footage contributed to the overall picture and facilitated the transformation of the dataset into a front-following reference frame. This article provides an in-depth description of the deployment strategy and required postcollection data processing, including frontal crossing detection, the assessment of the frontal orientation from drone footage, and defining the plume bottom boundaries using backscatter intensity contours.

autonomous observations↗

Redox Catalytic and Quasi-Solid Sulfur Conversion for High Capacity Lean Lithium Sulfur Batteries

The practical deployment of lithium sulfur batteries demands stable cycling of high loading and dense sulfur cathodes under lean electrolyte conditions, which is very difficult to realize. We describe here a strategy of fabricating extremely dense sulfur cathodes, designed by integrating Mo6S8 nanoparticles as a multi-functional mediator with a Li-ion conducting binder and a high-performance Fe3O4@N-carbon sulfur host. The Mo6S8 nanoparticles have substantially faster Li-ion insertion kinetics compared with sulfur, and the produced LixMo6S8 particles have spontaneous redox reactivity with relevant polysulfide species (such as Li4Mo6S8 + Li2S4 <-> Li3Mo6S8 + Li2S, Delta G = -84 kJ mol(-1)), which deliver a true redox catalytic sulfur conversion mechanism. In addition, LixMo6S8 particles strongly absorb polysulfide during battery cycling, which provides a quasi-solid sulfur conversion pathway and almost eliminated polysulfide dissolution. Such a pathway not only promotes growth of uniform Li2S that can be readily charged back with nearly no overpotential, but also mitigates the polysulfide-induced Li metal corrosion issue. The combination of these benefits enables stable and high capacity cycling of dense sulfur cathodes under a low electrolyte to sulfur ratio (4.2 mu L mg(-1)), as demonstrated with cathodes with volumetric capacities of at least 1.3 Ah cm(-3) and capacity retentions of similar to 80% for 300 cycles. Furthermore, stable cycling of batteries under a practically relevant N/P ratio of 2.4 is also demonstrated.

lean electrolyte↗

Wind Vision: A New Era for Wind Power in the United States (Highlights); U.S. Department of Energy (DOE), NREL (National Renewable Energy Laboratory)

This is a four-part Wind Vision project, consisting of Wind Vision Highlights, Executive Summary, a Full Report, and Appendix. The U.S. Department of Energy (DOE) Wind Program, in close cooperation with the wind industry, led a comprehensive analysis to evaluate future pathways for the wind industry. The Wind Vision report updates and expands upon the DOE's 2008 report, 20% Wind Energy by 2030, and defines the societal, environmental, and economic benefits of wind power in a scenario with wind energy supplying 10% of national end-use electricity demand by 2020, 20% by 2030, and 35% by 2050.

17 WIND ENERGY↗

Subtask 1.3 – Integrated Carbon Capture and Storage for North Dakota Ethanol Production

The Energy & Environmental Research Center (EERC), in partnership with Red Trail Energy, LLC (RTE), a North Dakota ethanol producer; the North Dakota Industrial Commission (NDIC) Renewable Energy Program (REP); and the U.S. Department of Energy (DOE), conducted a feasibility and implementation study for a commercial carbon capture and storage (CCS) effort. This subtask provided technical support and developed recommended practices of how small-scale industrial CO2 emitters (<1,000,000 tonnes of CO2 emitted annually) may economically deploy CCS. The 64-million-gallon dry mill RTE ethanol facility, emitting an average 180,000 tonnes of CO2 annually, was the subject of the case study. The positive outcome of this research, which shows technical and economic potential for ethanol–CCS in North Dakota, has resulted in RTE acquiring an approved Permit to Drill on December 2, 2019, for a stratigraphic test well in early 2020, a necessary step toward a North Dakota CO2 Storage Facility Permit (SFP) for the RTE CCS effort. Outcomes include 1) validating the Broom Creek Formation as a regional target for CCS, 2) determining the full carbon life cycle of an industrial fuel production facility with CCS, 3) developing a field implementation plan (FIP) for small-scale CCS, and 4) determining the validity and pathway for using CCS to meet low-carbon fuel (LCF) standards. The technical team included the EERC, RTE, Trimeric Corporation, Schlumberger Carbon Services, and Computer Modelling Group (CMG). Findings from activities conducted November 2016 – May 2020 are summarized as follows. Several key steps have been accomplished toward validating the Broom Creek Formation as a CO2 injection and storage target at the RTE CCS site, including verification of the presence and structure of sandstone layers that may comprise the potential CO2 storage reservoir and the several thousand feet of overlying confining zone. Work included site characterization using existing data, interpretation of seismic data within the study area, and geologic modeling simulation of CO2 injection. Interpreted results estimate 3000 feet of confining zone between the Broom Creek Formation (storage target) and the lowermost underground source of drinking water (e.g., the Fox Hills Formation). The thickness of the Broom Creek injection target varies 230–420 ft within the survey area. Results were used to inform the location of a stratigraphic test well and associated characterization test program. No impediments were identified within the targeted CO2 storage complex that would prevent the project from moving forward. A stratigraphic test well is the next step to validate these results and to acquire remaining data necessary to develop a North Dakota CO2 SFP application. The EERC generated full carbon life cycle estimates for CCS integration with the RTE ethanol facility. Results indicated that an average 40% reduction in CO2 emissions is possible through CCS implementation. Approximately half of the carbon in the overall life cycle for a dry mill ethanol plant is generated through the fermentation process and emitted to the atmosphere; this is the CO2 stream targeted for CCS. The remaining carbon is attributed to corn feedstock farming (diesel, fertilizer), energy for fuel processing (natural gas, electricity), and transportation (diesel) of the fuel product. Life cycle carbon estimates are also affected by the anticipated energy consumption of a potential capture facility, which depend on the type of CO2 product generated. For example, a 30%–40% net CO2 emission reduction is estimated if a liquefied CO2 facility were incorporated compared to a 40%–50% net CO2 reduction if a supercritical “injection-grade” CO2 product is generated; i.e., more energy is required to further refine the CO2 stream, affecting the full carbon life cycle estimates. A CCS FIP was developed and initiated at the RTE CCS site, resulting in the development of several guidance documents: a CO2 Capture Process Design Package, a North Dakota CO2 geologic Storage Permits Template, and a Public Outreach Package for CCS in North Dakota. General FIP components include CO2 capture system, pipeline and well designs; monitoring, verification, and accounting (MVA) plans; geologic characterization and testing programs; and permitting and outreach plans. Vendor bids were also acquired for the CO2 liquefaction facility. Near-surface characterization (groundwater and soil gas sampling) and geologic characterization (seismic survey) were initiated to inform development of a UIC Class VI-compliant MVA plan compliant with a North Dakota CO2 SFP. Designs (well and geologic testing) were completed for a stratigraphic test well compliant with a North Dakota CO2 SFP. In addition, the outreach plan was executed, including community open houses, meetings with city/county/state officials, and development of public materials. Although other entities continued to mature incentive programs in 2019–2020, California and the Internal Revenue Service (IRS) currently provide the most advanced economic opportunities for CCS integrated with fuel production. The California Low-Carbon Fuel Standard (LCFS) adopted a CCS Protocol in January 2019, allowing submittal of a design-based pathway (DBP) application for an approved temporary (not certified) carbon intensity value for a fully engineered facility. An ethanol–CCS DBP application to the California LCFS Program (officially approved February 28, 2020) was developed to show that the RTE CCS effort meets LCFS requirements. The approved DBP provides confidence to advance the project and supports potential investments. Other entities continue to mature incentive programs. The IRS issued guidance in February 2020 that addresses the definition of beginning of construction and revenue procedure on partnerships for the Enhancement of Carbon Dioxide Sequestration Credit (a.k.a. Section 45Q) CCS tax credit program; the IRS anticipates issuing further guidance on issues such as secure geologic storage, utilization qualifications, and recapture of claimed credits. Maturing incentive programs coupled with workable permitting regulations provide confidence to advance CCS projects in North Dakota and support financial investment to proceed with designing, constructing, and implementing CCS projects at small-scale fuel production facilities. The largest hurdles for CCS implementation at small-scale industrial systems are often business/economic-related (i.e., not technical). Market uncertainty already exists for agriculture-based alternative fuels such as corn ethanol, for which production has increased by ~33%, and prices have correspondingly lowered since 2015. Passing the Section 45Q tax credit program improves economic feasibility for CCS but may require external investors for a small business to achieve maximum benefits. Public–private partnerships with NDIC and DOE have resulted in foundational technical and regulatory knowledge, growing stakeholder confidence, and a pathway to implementation that enables similar industrial CCS projects in the region to advance. This subtask was funded through the EERC–DOE Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FE0024233. Nonfederal funding was provided by NDIC and RTE. The authors would also like to thank CMG, ESRI, IHS, Neuralog, and Schlumberger for allowing the use of their software packages in support of this work.

42 ENGINEERING↗

ADX: a high field, high power density, advanced divertor and RF tokamak

The MIT Plasma Science and Fusion Center and collaborators are proposing a high-performance Advanced Divertor and RF tokamak eXperiment (ADX) – a tokamak specifically designed to address critical gaps in the world fusion research program on the pathway to next step devices: fusion nuclear science facility (FNSF), fusion pilot plant (FPP), and/or demonstration power plant (DEMO). This high field (≥ 6.5 tesla, 1.5 MA), high power density facility (P/S ~ 1.5 MW/m2) will test innovative divertor ideas, including an ‘X-point target divertor’ concept, at the required performance parameters – reactor-level boundary plasma pressures, magnetic field strengths and parallel heat flux densities entering into the divertor region – while simultaneously producing high performance core plasma conditions that are prototypical of a reactor: equilibrated electrons and ions, regimes with low or no torque, and no fueling from external heating and current drive systems. Equally important, the experimental platform will test innovative concepts for lower hybrid current drive (LHCD) and ion-cyclotron range of frequency (ICRF) actuators with the unprecedented ability to deploy launch structures both on the lowmagnetic- field side and the high-magnetic-field side – the latter being a location where energetic plasma-material interactions can be controlled and favorable RF wave physics leads to efficient current drive, current profile control, heating and flow drive. This triple combination – advanced divertors, advanced RF actuators, reactor-prototypical core plasma conditions – will enable ADX to explore enhanced core confinement physics, such as made possible by reversed central shear, using only the types of external drive systems that are considered viable for a fusion power plant. Such an integrated demonstration of high-performance core-divertor operation with steady state sustainment would pave the way toward an attractive pilot plant, as envisioned in the ARC concept (Affordable, Robust, Compact) [B. N. Sorbom, et al., submitted to Fusion Engineering Design, 2014] that makes use of high-temperature superconductor technology – a high-field (9.25 tesla) tokamak the size of the Joint European Torus that produces 270 MW of net electricity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The role of negative emissions in meeting China’s 2060 carbon neutrality goal

China’s pledge to reach carbon neutrality before 2060 is an ambitious goal and could provide the world with much-needed leadership on how to limit warming to +1.5°C warming above preindustrial levels by the end of the century. But the pathways that would achieve net zero by 2060 are still unclear, including the role of negative emissions technologies. We use the Global Change Analysis Model to simulate how negative emissions technologies, in general, and direct air capture (DAC) in particular, could contribute to China’s meeting this target. Our results show that negative emissions could play a large role, offsetting on the order of 3 GtCO 2 per year from difficult-to-mitigate sectors, such as freight transportation and heavy industry. This includes up to a 1.6 GtCO 2 per year contribution from DAC, constituting up to 60% of total projected negative emissions in China. But DAC, like bioenergy with carbon capture and storage and afforestation, has not yet been demonstrated anywhere approaching the scales required to meaningfully contribute to climate mitigation. Deploying NETs at these scales will have widespread impacts on financial systems and natural resources, such as water, land and energy in China.

54 ENVIRONMENTAL SCIENCES↗

Driving Zn-MnO2 grid-scale batteries: A roadmap to cost-effective energy storage

Highlights Zn-MnO 2 batteries promise safe, reliable energy storage, and this roadmap outlines a combination of manufacturing strategies and technical innovations that could make this goal achievable. Approaches such as improved efficiency of manufacturing and increasing active material utilization will be important to getting costs as low as $100/kWh, but key materials innovations that facilitate the full 2-electron capacity utilization of MnO 2 , the use of high energy density 3D electrodes, and the promise of a separator-free battery with greater than 2V potential offer a route to batteries at $50/kWh or less. Abstract Large-scale energy storage is certain to play a significant, enabling role in the evolution of the emerging electrical grid. Battery-based storage, while not a dominant form of storage today, has opportunity to expand its utility through safe, reliable, and cost-effective technologies. Here, secondary Zn–MnO 2 batteries are highlighted as a promising extension of ubiquitous primary alkaline batteries, offering a safe, environmentally friendly chemistry in a scalable and practical energy dense technology. Importantly, there is a very realistic pathway to also making such batteries cost-effective at price points of $50/kWh or lower. By examining manufacturing examples at the Zn–MnO 2 battery manufacturer Urban Electric Power, a roadmap has been created to realize such low-cost systems. By focusing on manufacturing optimization through reduced materials waste, scalable manufacturing, and effective materials selection, costs can be significantly reduced. Ultimately, though, coupling these approaches with emerging research and development advances to enable full capacity active materials utilization and battery voltages greater than 2V are likely needed to drive costs below a target of $50/kWh. Reaching this commercially important goal, especially with a chemistry that is safe, well-known, and reliably effective stands to inject Zn–MnO 2 batteries in the storage landscape at a critical time in energy storage development and deployment. Graphical abstract

Spoerke, Erik D. (ORCID:0000000322862560)↗

Aquapv

This project brings together a multidisciplinary team to develop tools and analysis that will help U.S. industry accelerate deployment of floating PV on reservoirs and estuaries through producing: • A tool to assess potential environmental interactions of FPV on reservoirs and estuaries and thresholds for corresponding impacts. • A tailored FPV-specific techno-economic tool to guide users on financial performance and corresponding design considerations. • A synthesized tool, AquaPV, that combines the environmental and economic tools. • A set of case studies on an open-loop reservoir with a traditional hydropower plant (i.e., connected to a natural waterbody), closed-loop reservoir with a proposed pumped storage hydropower plant (i.e., manmade and disconnected from a natural waterbody), and a marine estuary (i.e., where a river meets the ocean), with an FPV system designed and modeled for each site. • A review of regulatory, environmental, and stakeholder opportunities and challenges to identify clear regulatory and environmental pathways to siting FPV on U.S. reservoirs. • A novel, high-fidelity geospatial resource assessment to estimate FPV technical potential on reservoirs in the United States.

Phillips, TylerB. [Idaho National Laboratory (INL)↗

Status Update - Installation and Operation of GeoMelt{sup R} ICV{sup TM} Process in the NNL's Central Laboratory on the Sellafield Site - 16410

Thermal treatment of nuclear waste in the UK has seen much renewed interest recently, owing to the advantages that can be gained in terms of reduced waste volumes, compatibility with reactive metals and organics and its ability to treat mixed generic wastes. Vitrification is a treatment option which destroys organics and some hazardous inorganics such as asbestos, reduces wasteform volume, and produces a robust leach resistant wasteform. Kurion's GeoMelt{sup R} In-Container Vitrification (ICV){sup TM} is a vitrification process where the treatment vessel can serve as an interim-storage, transport, and final long-term storage vessel - thus negating the need to pour glass into a separate container, effectively leading to a much simpler system than traditional waste melters. The UK's National Nuclear Laboratory (NNL) and Kurion have entered into a joint project to deploy an active waste ICV{sup TM} plant based on Kurion's GeoMelt{sup R} technology, at NNL's flagship Central Laboratory on the Sellafield site. NNL is the UK's national laboratory for civil nuclear science and technology, providing advice to government, protecting key skills, supporting industry and delivering national nuclear programs. NNL is bringing the Kurion GeoMelt{sup R} process alongside its existing capabilities in thermal waste treatment. Kurion provides technology solutions to minimize and stabilize nuclear and hazardous waste through its families of technologies: access, separation and stabilization processes. The GeoMelt{sup R} plant being installed at the NNL's Central Laboratory creates a platform to evaluate the vitrification technology for the variety of wastes from the NDA estate and creates a treatment path for problematic waste streams that currently have no disposition pathway. With the diverse facilities under NNL management coupled with the NNL's ability to import wastes from within the UK and Europe, this arrangement with Kurion provides waste owners with treatment disposition pathways for problematic wastes. The Kurion / NNL team completed non-radioactive commissioning of a GeoMelt{sup R} ICV{sup TM} treatment system in 2015. Commissioning consisted of performing two tests at NNL's Workington Laboratory. Commissioning Test 1 involved vitrification of 367 kg of glass frit over the course of approximately 18 hours. Commissioning Test 2 consisted of processing 470 kg of soil and additives in approximately 27 hours. The soil processed in the second test was non-radioactive soil from Sellafield and was used as an analog for radioactive soil to be processed during radioactive commissioning at the Central Laboratory at Sellafield. All commissioning test goals were easily achieved and all subsystems operated as designed. Radioactive commissioning will be carried out in early 2016. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗

Hydrogeological assessment of CO2 containment assurance and wellbore integrity at a Gulf Coast storage site

Abstract A large-scale carbon capture and storage (CCS) initiative on the Texas Gulf Coast serves as a premier demonstration of the U.S. Department of Energy’s CarbonSAFE program. Targeting deep saline formations, specifically Oligo-Miocene deltaic sequences, the project aims to establish technical and commercial viability for geologic CO2 storage within a major industrial corridor. This study provides a rigorous hydrogeological assessment to support Class VI permitting by quantifying the high degree of containment security. Utilizing a compositional reservoir simulator, we developed a suite of 27 distinct simulation cases to evaluate vertical plume dynamics near both planned injection wells and proximal legacy infrastructure. To ensure numerical accuracy near wellbores, we implemented a refined mesh strategy, determining that a 5.6 ft × 5.6 ft grid refinement offered the optimal balance between computational efficiency and descriptive precision. The modeling framework utilized a systematic sensitivity-based approach to evaluate the mechanical redundancy of the subsurface system by performing a bounding analysis of wellbore interfaces against hypothetical high-permeability microannuli. By systematically isolating competing physical drivers, including permeability, porosity, gas hysteresis, thermal gradients, salinity, and solubility trapping (quantified via Henry’s law with dynamically adjusted coefficients), this work moves beyond binary assessments to establish a nuanced hierarchy of containment factors. The results confirm that primary trapping mechanisms (e.g., gas hysteresis and solubility), combined with the site's unique geomechanical stratigraphy, significantly restrict vertical mobility and reinforce the robust containment security of the reservoir. Baseline results demonstrate substantial vertical separation between the CO2 plume and the upper confining system, ensuring robust containment. Sensitivity analysis reveals that even under highly conservative bounding scenarios—assuming theoretical 10-Darcy pathways at specific wellbore locations—the 2,900-ft thick multi-layered confining zone remains a reliable barrier. In these hypothetical upper-bound cases, peak upward fluxes of CO2 and saltwater after 15 years of injection remain localized and dissipate rapidly within the lower sections of the confining interval, leaving the integrity of the seal uncompromised. Furthermore, the study identifies that while localized wellbore pathways define theoretical upper bounds of vertical migration, the Area of Review (AoR) is primarily sensitive to regional thermal gradients and hysteresis, which can influence the AoR by over 3,000 acres in pessimistic configurations. Also, primary trapping mechanisms, specifically gas hysteresis and solubility, work in tandem with the Gulf Coast’s unique geomechanical stratigraphy to significantly restrict vertical mobility. Ductile, smectite-rich mudstones facilitate natural borehole convergence and the self-healing of potential conduits, creating a natural geomechanical bridge that effectively mitigates migration potential at both current injection points and legacy-well locations. This comprehensive modeling effort demonstrates that the integration of high-resolution wellbore simulations and regional geomechanical observations confirms the long-term storage security of the studied site, providing a physics-based foundation for industrial-scale CCS deployments. This modeling framework establishes a baseline for future research into coupled geomechanical effects, such as time-dependent borehole convergence, to further refine long-term containment projections. Acknowledgements We thank the Gulf Coast Carbon Center (GCCC) at the Bureau of Economic Geology for foundational research support. We appreciate Alex Bump for technical guidance and David Hoffman for model mesh generation. This work used TACC’s Frontera cluster for simulations and CMG Ltd. software licenses provided to UT-Austin. This material is based upon work supported by the Department of Energy under Award Number DE-FE0032338. Disclaimer This material is based upon work supported by the U.S. Department of Energy’s Fossil Energy and Carbon Management Office under the CarbonSAFE program, award Number DE-FE0032338. The views expressed herein do not necessarily represent the views of the U.S. Department of Energy or the United States Government.

58 GEOSCIENCES↗

RAVEN User Manual

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The initial development was aimed to provide dynamic risk analysis capabilities to the Thermo-Hydraulic code RELAP-7, currently under development at the Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose probabilistic and uncertainty quantification platform, capable to agnostically communicate with any system code. This agnosticism includes providing Application Programming Interfaces (APIs). These APIs are used to allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by inputs files or via python interfaces. RAVEN is capable of investigating the system response, and investigating the input space using Monte Carlo, Grid, or Latin Hyper Cube sampling schemes, but its strength is focused toward system feature discovery, such as limit surfaces, separating regions of the input space leading to system failure, using dynamic supervised learning techniques. The development of RAVEN has started in 2012, when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework became stronger. RAVEN principal assignment is to provide the necessary software and algorithms in order to employ the concept developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just the individuation of the frequency of an event potentially leading to a system failure, but the closeness (or not) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. for an important process such as peak pressure in a pipe) is exceeded under certain conditions. The initial development of RAVEN has been focused on providing dynamic risk assessment capability to RELAP-7, currently under development at the INL and, likely, future replacement of the RELAP5-3D code. Most the capabilities that have been implemented having RELAP-7 as principal focus are easily deployable for other system codes. For this reason, several side activaties are currently ongoing for coupling RAVEN with software such as RELAP5-3D, etc. The aim of this document is the explanation of the input requirements, focalizing on the input structure.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

RAVEN User Manual

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The initial development was aimed to provide dynamic risk analysis capabilities to the Thermo-Hydraulic code RELAP-7, currently under development at the Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose probabilistic and uncertainty quantification platform, capable to agnostically communicate with any system code. This agnosticism includes providing Application Programming Interfaces (APIs). These APIs are used to allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by input files or via python interfaces. RAVEN is capable of investigating the system response, and investigating the input space using Monte Carlo, Grid, or Latin Hyper Cube sampling schemes, but its strength is focused toward system feature discovery, such as limit surfaces, separating regions of the input space leading to system failure, using dynamic supervised learning techniques. The development of RAVEN started in 2012, when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework became stronger. RAVEN principal assignment is to provide the necessary software and algorithms in order to employ the concept developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just the individuation of the frequency of an event potentially leading to a system failure, but the closeness (or not) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. for an important process such as peak pressure in a pipe) is exceeded under certain conditions. The initial development of RAVEN has been focused on providing dynamic risk assessment capability to RELAP-7, currently under development at the INL and, likely, future replacement of the RELAP5-3D code. Most the capabilities that have been implemented having RELAP-7 as principal focus are easily deployable for other system codes. For this reason, several side activates are currently ongoing for coupling RAVEN with software such as RELAP5-3D, etc. The aim of this document is the explanation of the input requirements, focusing on the input structure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

RAVEN User Manual

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The initial development was aimed to provide dynamic risk analysis capabilities to the Thermo-Hydraulic code RELAP-7, currently under development at the Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose probabilistic and uncertainty quantification platform, capable to agnostically communicate with any system code. This agnosticism includes providing Application Programming Interfaces (APIs). These APIs are used to allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by inputs files or via python interfaces. RAVEN is capable of investigating the system response, and investigating the input space using Monte Carlo, Grid, or Latin Hyper Cube sampling schemes, but its strength is focused to- ward system feature discovery, such as limit surfaces, separating regions of the input space leading to system failure, using dynamic supervised learning techniques. The development of RAVEN has started in 2012, when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework became stronger. RAVEN principal assignment is to provide the necessary software and algorithms in order to employ the concept developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just the individuation of the frequency of an event potentially leading to a system failure, but the closeness (or not) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. for an important process such as peak pressure in a pipe) is exceeded under certain conditions. The initial development of RAVEN has been focused on providing dynamic risk assessment capability to RELAP-7, currently under development at the INL and, likely, future replacement of the RELAP5-3D code. Most the capabilities that have been implemented having RELAP-7 as principal focus are easily deployable for other system codes. For this reason, several side activates are currently ongoing for coupling RAVEN with soft- ware such as RELAP5-3D, etc. The aim of this document is the explanation of the input requirements, focalizing on the input structure.

97 MATHEMATICS AND COMPUTING↗

Photochemically‐Driven CO 2 Release Using a Metastable‐State Photoacid for Energy Efficient Direct Air Capture

Abstract One of the grand challenges underlying current direct air capture (DAC) technologies relates to the intensive energy cost for sorbent regeneration and CO 2 release, making the massive scale (GtCO 2 /year) deployment required to have a positive impact on climate change economically unfeasible. This challenge underscores the critical need to develop new DAC processes with substantially reduced regeneration energies. Here, we report a photochemically‐driven approach for CO 2 release by exploiting the unique properties of an indazole metastable‐state photoacid (mPAH). Our measurements on simulated and amino acid‐based DAC systems revealed the potential of mPAH to be used for CO 2 release cycles by regulating pH changes and associated isomers driven by light. Upon irradiating with moderate intensity light, a ≈55 % and ≈68 % to ≈78 % conversion of total inorganic carbon to CO 2 was found for the simulated and amino acid‐based DAC systems, respectively. Our results confirm the feasibility of on‐demand CO 2 release under ambient conditions using light instead of heat, thereby providing an energy efficient pathway for the regeneration of DAC sorbents.

Premadasa, Uvinduni I.↗

RAVEN User Manual, Revision 4

RAVEN is a generic software framework to perform parametric and probabilistic analysis based on the response of complex system codes. The initial development was aimed to provide dynamic risk analysis capabilities to the Thermo-Hydraulic code RELAP-7, currently under development at the Idaho National Laboratory (INL). Although the initial goal has been fully accomplished, RAVEN is now a multi-purpose probabilistic and uncertainty quantification platform, capable to agnostically communicate with any system code. This agnosticism includes providing Application Programming Interfaces (APIs). These APIs are used to allow RAVEN to interact with any code as long as all the parameters that need to be perturbed are accessible by inputs files or via python interfaces. RAVEN is capable of investigating the system response, and investigating the input space using Monte Carlo, Grid, or Latin Hyper Cube sampling schemes, but its strength is focused to- ward system feature discovery, such as limit surfaces, separating regions of the input space leading to system failure, using dynamic supervised learning techniques. The development of RAVEN has started in 2012, when, within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the need to provide a modern risk evaluation framework became stronger. RAVEN principal assignment is to provide the necessary software and algorithms in order to employ the concept developed by the Risk Informed Safety Margin Characterization (RISMC) program. RISMC is one of the pathways defined within the Light Water Reactor Sustainability (LWRS) program. In the RISMC approach, the goal is not just the individuation of the frequency of an event potentially leading to a system failure, but the closeness (or not) to key safety-related events. Hence, the approach is interested in identifying and increasing the safety margins related to those events. A safety margin is a numerical value quantifying the probability that a safety metric (e.g. for an important process such as peak pressure in a pipe) is exceeded under certain conditions. The initial development of RAVEN has been focused on providing dynamic risk assess- ment capability to RELAP-7, currently under development at the INL and, likely, future replacement of the RELAP5-3D code. Most the capabilities that have been implemented having RELAP-7 as principal focus are easily deployable for other system codes. For this reason, several side activates are currently ongoing for coupling RAVEN with soft- ware such as RELAP5-3D, etc. The aim of this document is the explanation of the input requirements, focalizing on the input structure.

97 MATHEMATICS AND COMPUTING↗