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Effects of He Ion Irradiation in Simple Borosilicate Glasses for HLW Immobilisation - 20324

High-level radioactive waste (HLW) consists of fission products and minor actinides. Borosilicate glass is the host material of choice in most countries to safely immobilize HLW, followed by eventual geological disposal. HLW glasses will experience both self-heating and self-irradiation effects due to the decay of fission products and minor actinides present therein. During the first 500 years of geological disposal, beta-gamma decay will be the main source of radiation due to short half-lives of fission products, as compared to very long-lived actinides which will be responsible for irradiation over much longer timescales. High-energy alpha particles and alpha recoil nuclei can potentially have significant impact (stored energy, volume change, accumulated dose, chemical durability) on the performance of the wasteform over longer timescales. Thus, to ensure safe and economic disposal over geological periods (10{sup 4} - 10{sup 6} years), the assessment of performance and properties in terms of radiation effects becomes indispensable. This work aims to simulate the effects of alpha decay in radioactive waste glasses. Two international glasses, namely UK 'MW' lithium-sodium borosilicate and Indian sodium-barium borosilicate, which are being used as HLW immobilization matrices by the UK and India respectively, were prepared by a melt-quench method and annealed below their glass transition temperatures. Both glasses were irradiated with 650 KeV He{sup 2+} ions with doses ranging from 10{sup 15} to 10{sup 17} ions/cm{sup 2}. Structural analysis was carried out using electron paramagnetic resonance (EPR) and Raman spectroscopies. First derivative continuous wave EPR spectra were recorded for all pristine and irradiated glass monoliths at room temperature using an X-band (frequency 9.6 GHz) EPR Bruker spectrometer. Results from EPR analyses showed the formation of irradiation induced paramagnetic centers at g ∼ 2.00 in all irradiated glasses. Raman spectra of pristine and irradiated samples were acquired, and showed notable changes in glass structure post-irradiation, with the emergence of a broad Raman band at 1560 cm{sup -1} upon irradiation with high fluences. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

RANGERS: Methodology Report on Design and Performance Assessment of Engineered Barrier Systems in a Salt Repository for HLW/SNF

Salt formations are one of the potential host rocks for the final disposal of high-level radioactive waste (HLW) in deep geological repositories, both in Germany and the United States. The safe isolation of radioactive waste in these repositories relies on a multi-barrier system, combining engineered and natural barriers. The natural barrier is provided by the salt rock itself, known for its self-sealing properties and long-term stability. The engineered barrier, on the other hand, comprises sealing components strategically placed within the repository to enhance its containment capabilities. In both Germany and the United States, long-term safety assessments require demonstrating the integrity of the natural barrier for a period of up to 1 million years. Concurrently, the engineered barrier system (EBS) must maintain its structural and functional integrity until the long-term sealing, such as the granular salt backfill material, has re-consolidated to its final low porosity and permeability. Based on extensive expertise and experience with engineered barriers in salt formations, BGE TECHNOLOGY GmbH and Sandia National Laboratories have partnered to develop a robust methodology for the integrity and performance assessment of EBS in HLW repositories through the RANGERS project. This collaborative effort aims to establish a unified approach to geotechnical engineering, repository design, integrity and performance evaluation of EBS in salt repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Lagrangian Characterization of Surface Transport From the Equatorial Atlantic to the Caribbean Sea Using Climatological Lagrangian Coherent Structures and Self‐Organizing Maps

Abstract This study presents an assessment of the transport of suspended material by surface ocean currents, which have a critical role in determining the connectivity and distribution of living and non‐living material. Lagrangian experiments reveal pathways from the Equatorial Atlantic to 10 strategic regions within the Caribbean Sea, determined by considering the space‐time variability of climatological Lagrangian Coherent Structures, which act as recurrent attracting pathways and transport barriers. Due to windage or Stokes drift, wind forcing is a significant factor in determining the spatial locations where particles cluster and the time needed to reach the Caribbean from the Equatorial Atlantic. Pathways shift westward within the Caribbean and take less time to arrive with increasing wind influence. Depending on the wind effect, the particles show higher confluence in different areas of the Caribbean. A case study is presented for the Mexican Caribbean nearshore area, isolated from ocean‐current trajectories. Here, wind weakens the transport barrier responsible for this isolation and causes particle confluence toward that region. Spatial patterns of the Eulerian velocity identified through Self‐Organizing Maps, with time dependence given by their best matching units, can reproduce the characteristic Lagrangian patterns of surface current climate variability. Our study demonstrates the application of tools from dynamical systems and unsupervised neural networks to understand Lagrangian patterns and identify the processes that drive them. These findings improve our understanding of transport mechanisms of suspended material by surface ocean currents in the Western Atlantic and the Caribbean Sea, which is essential for managing and conserving marine ecosystems.

Allende‐Arandía, Ma. Eugenia↗

LANL Meteorology Program Self-Assessment 2025 Update

The LANL Meteorological (Met) Program has been subject to several external reviews over the past 19 years. The DOE Meteorological Coordinating Council (DMCC) conducted an initial Met Program Site Assist Visit (SAV) in August 2006 (DMCC 2006). A follow-up SAV in August 2015 assessed progress (DMCC 2015), and in June 2023, the DOE Meteorological Subcommittee (DMSC), successor to the DMCC, conducted a second follow-up SAV (DMSC 2023), in which the Met Program was evaluated relative to the following 8 high-level questions: • What is the state of the meteorological services provided to its customers? • What is the quality of meteorological data provided to its customers and is it adequate and available to meet all customer needs? • What is the quality of atmospheric transport and diffusion modeling provided to its customers and is it applicable to complex wind flow patterns at LANL? • Are the current and future meteorological service customers being serviced appropriately? • Are there adequate human resources to meet present and future program customer needs and are they being appropriately leveraged? • Are existing instrumentation, facilities, and systems adequate to meet present and future customer needs? • Are LANL meteorological services conducted in an efficient, cost-effective manner? • Is meteorological data used to ensure safety & health of LANL personnel? More specific evaluations were performed relative to 23 performance objectives extracted from the ANSI/ANS-3.11- 2024 national standard and 14 separate performance objectives associated with consequence assessment and atmospheric transport and diffusion modeling in the consequence assessment element of DOE G 151.1-1B. In 2023, the DMSC SAV Team also reviewed the status of each of the 18 remaining recommendations from its 2015 SAV. Based on this review, DMSC stated in its Exit Briefing that the LANL meteorological program has gotten much stronger and more robust since 2015 and now represents one of the better managed programs within the DOE complex.

54 ENVIRONMENTAL SCIENCES↗

Determining hexavalent chromium transport properties in alkaline nuclear waste using nuclear magnetic resonance spectroscopy

This study focuses on the transport properties of hexavalent chromium, specifically the chromate anion, to improve predictive models and environmental remediation strategies for Cr(VI) migration. Using 53 Cr Nuclear Magnetic Resonance (NMR) spectroscopy, the research quantifies chromate in multicomponent electrolytes replicating nuclear waste conditions at the Hanford Site in Washington State. The consistency of the 53 Cr NMR signal integral with chromate concentration, despite varying matrix compositions, establishes it as a reliable concentration indicator. The transport properties of chromate in an alkaline solution were assessed using relaxation-based measurements via saturation recovery and Carr-Purcell-Meiboom-Gill experiments, determining spin-lattice and spin-spin relaxation times. These measurements, combined with the Bloembergen-Purcell-Pound equation, helped estimate the rotational correlation time and the 53 Cr self-diffusion coefficient using Stokes-Einstein-Debye and Stokes-Einstein equations. Direct measurements were obtained through pulsed field gradient stimulated echo 53 Cr NMR spectroscopy. Monte Carlo simulations further estimated uncertainty propagation. The results enhance comprehension of chromate transport and highlight prospects for identifying transport properties of NMR-active nuclei, traditionally considered unreachable.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Geologic hydrogen: From natural occurrences to anthropogenic generation – A review of fundamentals, potential, challenges and prospects

Growing demand for hydrogen is exposing the environmental and economic limits of reforming-based and carbon-managed supply chains, while the scale-up of electrolytic capacity remains capital-constrained. Geologic hydrogen, defined as molecular H₂ generated and stored within the Earth's crust offers a complementary, potentially lower-cost resource, yet exploration is still ad hoc. This review (1) revisits a global inventory of confirmed hydrogen seeps and subsurface occurrences; (2) analyzes the controlling reactions, migration pathways, and trapping conditions governing these occurrences; (3) proposes a process-based geologic hydrogen system concept analogous to, yet distinct from, the petroleum system; and (4) evaluates potential geologic hydrogen systems within the United States as a representative case study. Here, we contrast natural systems powered by serpentinization, mantle degassing or radiolysis with anthropogenic systems that stimulate the same reactions or convert in-situ hydrocarbons. Stable hydrogen accumulations require generation rates that outpace combined physical, chemical and microbial losses; the Bourakébougou field (Mali) exemplifies a self-recharging, free-gas reservoir sustained by meteoric-water serpentinization beneath an efficient caprock. Prospective geologic hydrogen resources are likely to occur in regions where iron-rich lithologies, deep-seated faults, and low-permeability sealing formations coexist. Applying this principle, we highlight three promising hydrogen play types in U.S. geological terrains: ophiolite belts (Appalachian and Californian regions), the Midcontinent Rift and the Lake Superior banded‑iron formations. Multiphysics numerical models and positive-unlabeled machine-learning workflows help to accelerate play screening and de-risk future production; yet, reaction kinetics, stimulation strategies, and full techno-economic and life-cycle assessments remain pivotal knowledge gaps.

Anthropogenic hydrogen generation↗

RANGERS: Methodology for Design and Performance Assessment of Engineered Barrier Systems in a Salt Repository for HLW/SNF: Synthesis Report

Salt formations have long been recognized as a highly favorable host rock for the final disposal of high-level radioactive waste (HLW) in deep geological repositories. Their unique properties, including exceptional impermeability, self-healing capabilities, and thermal conductivity, make them a reliable natural barrier for the deep disposal of radioactive waste. This report focuses on the development and application of a methodology for assessing the integrity and per formance of the Engineered Barrier System (EBS) within salt-based repositories, a critical component of the multi-barrier system ensuring safe radioactive waste disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Assessment of Technoeconomic Opportunities in Automation for Nuclear Microreactors

Achieving full decarbonization of all economic sectors remains a challenge, especially in niche markets. For example, remote communities and industrial or mining activities detached from the main electric grid heavily rely on fossil fuels, similar to urban and industrial microgrids with combined heat and power needs. A combination of renewables and energy storage is often not suitable due to cost, reliability, intermittency, and large storage requirements. Small nuclear reactors with a flexible purpose could serve these applications. Microreactors (MR) are a class of reactors that are compact, factory manufactured, transportable, and self-regulating. Typically, they generate much less power than their large reactor counterparts. The main advantages of microreactors include the versatile nature of the energy produced, the reliability of supply, and freedom from having to transport and store large quantities of fuels on-site, coupled with the absence of dependence on an electrical grid. A strong business case is needed to move from the microreactor prototype to the commercialization phase. In fact, fossil fuels are still relatively inexpensive, and in the near term, carbon credits will be available to virtually compensate for emissions. For microreactors, one of the main costs in operation and maintenance (O&M) is their staffing levels. In this study, we investigate how to optimize the number (and thus the cost) of workers, moving from a traditional, fully manned, on-site personnel approach to an unmanned, remote personnel approach. We examine four different staffing models that can be implemented as the technology matures and evolves. We estimate the staffing needs of each model and build a business case to justify the substitution of on-site personnel with adequate technologies. To do so, we propose a cost model to quantify potential cost reductions from automating O&M activities. The model accounts for both the reduction in cost derived from the reduced number of full-time-equivalent (FTE) employees and the increase in cost derived from the need to buy new control hardware as needed. Applying the cost model that we created to different scenarios, an on-site O&M cost reduction exceeding 80% can be expected. Additionally, we found that it is more impactful to focus on automating routine O&M tasks rather than attempting to automate transient management (shutdowns, restarts, monitoring condition deviations). In fact, transients typically account for less than 1% of the total FTE time spent on the reactors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Evaluation of Data Catalog Software for Hanford Site Environmental Datasets

Environmental information and data underpin achievement of the U.S. Department of Energy (DOE) Office of Environmental Management (EM) mission at the Hanford Site. The Hanford Environmental Data Management (HEDM) Program is the DOE Richland Operations Office (RL) approach to develop and implement a formal program for managing environmental data and the associated records, materials, and systems at the Hanford Site. The current project, contract, organization, and contractor-specific efforts at managing environmental data sets are insufficient to provide orderly, long-term, site-wide access. A vital element to be created within the HEDM program plan is a catalog of data sources, called the Hanford Environmental Information and Data Index (HEIDI), that will enable long-term access and retrievability for the multiple independent sources of data that might otherwise be difficult to discover. This report compares leading open source and commercial data catalog platforms using criteria to assess the functionality needed to develop the HEIDI catalog of Hanford data sources that connects and exchanges data with established Hanford Local Area Network (HLAN) enterprise information technology systems. Proprietary platforms evaluated included ArcGIS Enterprise Sites, Junar, OpenDataSoft, and Socrata, and non-proprietary platforms included Energy Data eXchange (EDX), Comprehensive Knowledge Archive Network (CKAN), and DKAN (a Drupal-based open data portal based on CKAN). Capabilities supporting data discoverability, retrieval, and archival, as well as metadata standard requirements and integration into the HLAN were rated as either failing to meet requirements (F), meeting requirements (M), or exceeding requirements by delivering additional desired features (E). The lowest rating for any capability area was assigned as the overall rating for the platform. These findings enable DOE-RL and the contractors implementing the HEDM plan to focus on candidate tools likely to meet the requirements for implementing HEIDI. All of the platforms receiving an overall rating of ‘F’ were unable to be deployed on Hanford infrastructure or within dedicated cloud resources. A propriety software-as-a-service (SaaS) model of delivering a data catalog (e.g., found in software such as Junar and OpenDataSoft) favors consistency across customers at the expense of customization and configurable roles that are needed for Hanford work. Hosting data on a shared commercial platform places limits on dataset size (maximum of 240 Mb for OpenDataSoft), a significant limitation for HEIDI implementation. EDX, a government data catalog based on CKAN, received the ‘F’ rating due to an inability to incorporate authentication from HLAN into the system. Among platforms rated ‘M’ or ‘E’, only the Socrata platform had a SaaS delivery model. In contrast to other SaaS platforms, Socrata provided custom roles and gateways that allow local datasets to be incorporated into an online catalog. Socrata also complies with the Federal Risk and Authorization Management Program, a significant benefit for cloud-based management of Hanford data. The other platforms rated ‘M’ or ‘E’, ArcGIS Enterprise Sites, CKAN, and DKAN, provide fully self-hosted options, allowing for greater control and flexibility with the HEIDI catalog. These widely used tools have supportive communities of practice, extensive customization options, and demonstrated deployments that provide evidence that they can meet requirements, often deliver additional desired features, and work well with federal government systems. Completely customized alternatives built on a collection of applications were not evaluated because achieving similar performance to CKAN or DKAN requires substantial resources, especially in the absence of the active communities that have grown to support these tools. ArcGIS Enterprise Sites, Socrata, CKAN, and DKAN were evaluated as strong candidates for successful implementation with HEIDI.

54 ENVIRONMENTAL SCIENCES↗

Demography, dynamics and data: building confidence for simulating changes in the world's forests

Vegetation demographic models (VDMs) are advanced tools for simulating forest responses to climate and land-use changes, and are essential for projecting carbon cycling and large-scale forest management strategies. Despite their increasing incorporation into Earth System Models, VDMs differ in their demographic assumptions, with no prior quantitative comparison of their performance. We benchmarked nine VDMs against observational data from boreal, temperate and tropical sites, assessing their accuracy in predicting tree growth, carbon turnover, biomass stocks and size distributions. Models were simulated under consistent climate conditions with postdisturbance recovery monitored for at least 420 yr. Postdisturbance carbon recovery trajectories showed significant variability while remaining within observational ranges. Initial regrowth rates varied substantially (0.03-0.60, 0.18-0.70 and 0.35-1.10 kgCm-2 yr-1 for boreal, temperate and tropical sites, respectively), influenced by each model's initial forest state. Models captured mature forest carbon content but showed compensating effects between overestimated growth and underestimated mortality rates. This first multi-model benchmarking identifies growth and mortality rates as critical calibration targets and highlights the need to refine postdisturbance establishment conditions for model development. We outline specific benchmarking variables needed to improve predictions of forest responses to environmental change.

demographic vegetation model benchmarking↗

Liquid Salt Combined-Cycle Pilot Plant Design

The work described in this report is responsive to the Office of Fossil Energy program ‘Energy Storage for Fossil Power Generation.’ This Phase I report has been prepared by Pintail Power LLC, with support from Nexant ECA, Electric Power Research Institute (EPRI) and Southern Company Services as a deliverable for the U.S. Department of Energy for NETL Award DE-FE-00320016. The Liquid Salt Combined Cycle™ (LSCC™) technology provides large-scale energy storage integrated with Fossil Electric Generating Units (FEGUs) to meet critical needs in the energy transition by providing: • the lowest cost large-scale storage for time-shifting of renewable energy, • superior fuel efficiency to reduce GHGs from dispatchable resources, • flexible capacity and ramping to balance variability of wind and solar resources, • essential grid stability services to assure reliability of a low-carbon grid. The LSCC approach: • employs equipment that has already been proven in utility service, • uses safe, non-toxic, non-degrading, perpetual-life storage medium, • leverages and repurposes existing FEGU assets, • expands the value stack of energy storage to reduce market, financing, and commodity risks. Pintail Power has developed the LSCC technology to meet the need for reliable, efficient, and cost-effective integration of Variable Renewable Energy (VRE) into a low-carbon electric grid by coupling proven thermal energy storage with proven gas turbines, steam turbines, and heat transfer equipment. This novel approach is intended to address the key issues facing the grid and operators of renewable and fossil generating units including: • Overgeneration and curtailment of renewables, • Need for fast ramping dispatchable resources, • Improved efficiency and flexibility of fossil units, • Additional peaking capacity to support electrification of transportation and heating, • Provision of reliability services to support high penetration of VRE, especially synchronous inertia and fast frequency response. A Technology Readiness assessment by EPRI confirmed that LSCC technology consists of commercially proven hardware used in industrial and utility applications. Although the novel LSCC approach has not yet been demonstrated as a complete system, interfaces between major components have been conservatively specified. A Phase III pilot is planned to demonstrate equipment integration and operation. The patented innovation is removal of the evaporator section from the exhaust heat recovery system, with the evaporation performed by stored energy in a separate steam generator. This arrangement couples renewable and fossil power generation via long-duration energy storage to deliver cost, performance, and operational synergies, including superior charging and discharging flexibility, reduced fuel consumption and lower CO 2 emissions compared to conventional Combined Cycle Power Plants, and low-cost, large-scale energy storage. The LSCC technology is composed of proven equipment integrated with gas turbine exhaust heat in a novel system. During charging, electric heaters raise the salt temperature as it flows from the Cold Salt Tank to the Hot Salt Tank. During discharging, hot salt produces steam from feedwater that is heated with gas turbine exhaust, which also superheats steam to drive a steam turbine. LSCC technology can be added to any combustion-turbine to integrate renewable energy, provide needed grid services, and increase the value of fossil electric generating units based on the technology’s following attributes: • Long-duration storage enables time-shifting of VRE to avoid curtailment and impairment of renewable assets. • Long storage duration combined with fast-charging capability increases arbitrage opportunities by storing more energy when the price is low and discharging more hours when the price is high. • Long storage duration allows resource adequacy to be supplied across multiple days to increase reliability and reduce risk. • The stored energy reduces fuel heat rate and GHG emissions, and increases merit, so the LSCC dispatches earlier and longer to increase the plant’s capacity factor and asset value. • The stored energy enables pre-heating and startup of the steam cycle, without operating the gas turbine, to enable fast startup and ramping when dispatched for discharge. • The steam turbine can operate without the gas turbine so it can provide valuable synchronous inertia during charging without consuming fuel. • Fast frequency response and regulation services can be provided during charging using solid-state heater and pump controls to vary the charge power input in response to grid signals. • The LSCC system can be configured for resilience including black start, islanded/micro-grid operation, and even self-recharging of storage using either gas turbine power or gas turbine exhaust heat. The commercialization plan is to add LSCC technology to existing simple cycle gas turbine power plants with the 50MW GE LM6000 aero-derivative gas turbine as the reference design basis. A Techno-economic assessment of the reference design evaluated the benefits (Levelized Avoided Cost of Energy) and costs (Levelized Cost of Energy). The plant definition included all major systems and budgetary vendor quotes. Pintail Power and NexantECA developed the overall cost estimate for the LSCC plant up to the total plant cost level, following the DOE-NETL cost estimate guidelines at AACE Class 3 (-20%/+30%). This includes the equipment cost, bulk material, direct and indirect labor costs to arrive at the bare erected cost. Engineering costs are factored from the BEC and added to it to arrive at the EPC cost. Process and project contingencies were then factored from the EPC cost and rolled-up to yield the total plant cost of $\$$184 million for 1746 MWh of discharge electricity. • At $\$$105/kWh, the reference plant costs less than any of the Energy Storage Systems evaluated by PNNL in 2020 for the Energy Storage Grand Challenge. Operations and Maintenance cost estimates were scaled from combined cycle practice, assuming that the LSCC unit was co-located with and sharing some labor expense with other units, to arrive at $\$$2.2 million per year. Plant economics were evaluated using prices from the ERCOT Day-Ahead Market for calendar year 2019 (excluding the market disruptions from the COVID pandemic and the February 2020 deep freeze event). Assuming economic dispatch in the ERCOT Day-Ahead market, the reference plant capacity factor would have discharged for 2777 hours at 91.9 MW, a 31.66% capacity factor, with a marginal cost of $\$$25.59/MWh, and a LACE of $\$$82.41/MWh. Fixed charges were calculated according to EIA guidelines to arrive at an LCOE of $\$$83.48. The benefit-to-cost ratio of 0.99 suggests that the reference plant would have been cost-effective and competitive in the market. EPRI interviewed selected utilities to gauge the need for, applicability of and interest in the LSCC system. Several utilities are currently managing increased load growth along with the inclusion of increasing levels of renewable generation, putting pressure on conventional generation by requiring increased turndown requirements and ultimately lower capacity factors. All of the utilities interviewed have CO 2 reduction targets in the 2030-2050 timeframe that will severely limit the participation of fossil generation and require better utilization of carbon free generation. While there is limited opportunity for storage in the current markets, the utilities interviewed stated that there will be a substantial need for long duration energy storage in the future given the expected trends. Utilizing an energy storage system will generally be preferred over new gas capacity in some cases, with the capabilities of the LSCC system being a potential option for retrofit to existing simple cycle gas turbine units, allowing them to deliver greater participation in the market with lower carbon intensity. A technology gap assessment and technology maturation plan identified a pilot-scale demonstration as the final step before commercialization. Key gaps to be addressed during the Phase II FEED (Front-End Engineering Design) are component selection and design, commissioning procedures, and operational procedures and the control system for LSCC charging and discharging. The project team has been expanded to include Wood Group PLC as EPC. The proposed Phase II work leads to a pilot-scale engineering demonstration (TRL 6) to be conducted at Southern Company’s Plant Rowan, where the prototype system will perform “all the functions that will be required of the operational system.” The proposed pilot will facilitate commercialization (TRL-9) by scale-up to utility-scale systems integrated with peaking GTs or directly to facility scale systems using industrial GTs. The conceptual design for the pilot plant focuses on the novel integration aspects of LSCC technology. A slipstream of gas turbine exhaust will feed a waste heat recovery unit coupled to a molten salt steam generator heated by stored energy. The pilot is intended to demonstrate all key operating modes of the LSCC technology during charging, discharging and standby. The pilot equipment will be approximately one-seventh scale of the LM6000 commercial target and is expected to have commercial off-ramp potential for facility-scale applications.

01 COAL, LIGNITE, AND PEAT↗

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↗

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

This report represents the milestone deliverable M2SF-23SN010301072 “Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies” The report provides a status update of FY23 activities for the work package Argillite Disposal work packages for the DOE-NE Spent Fuel Waste Form Science and Technology (SFWST) Program. Clay-rich geological media (often referred as shale or argillite) are among the most abundant type of sedimentary rock near the Earth’s surface. Argillaceous rock formations have the following advantageous attributes for deep geological nuclear waste disposal: widespread geologic occurrence, found in stable geologic settings, low permeability, self-sealing properties, low effective diffusion coefficient, high sorption capacity, and have the appropriate depth and thickness to host nuclear waste repository concepts. The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress (through experiment, modeling, and testing) in the study of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in clay/shale/argillaceous rock. International collaboration activities comprising field-scale heater tests, field data monitoring, and laboratory-scale experiments provide key information on changes to the engineered barrier system (EBS) material exposed high thermal loads. Moreover, consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the engineered barrier system (EBS) design concepts. Chemical and structural analyses of sampled bentonite material from laboratory tests at elevated temperatures are key to the characterization of thermal effects affecting bentonite clay barrier performance. The knowledge provided by these experiments is crucial to constrain the extent of sacrificial zones in the EBS design during the thermal period. Thermal, hydrologic, mechanical, and chemical (THMC) data collected from heater tests and laboratory experiments have been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches to assess issues on coupled processes involving porous media flow, transport, geomechanical phenomena, chemical interactions with barrier/geologic materials, and the development of EBS concepts. These lines of knowledge are central to the design of deep geological backfilled repository concepts where temperature plays a key role in the EBS behavior, potential interactions with host rock, and long-term performance in the safety assessment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Integration and Optimization of a Waste Heat Driven Organic Rankine Cycle for Power Generation in Wastewater Treatment Plants

The study focuses on achieving energy self-sufficiency in Wastewater Treatment Plants by proposing a comprehensive model for integrating, sizing, and optimizing an Organic Rankine Cycle system. The Organic Rankine Cycle system is designed to utilize waste heat from the gensets at As Samra Wastewater Treatment Plant in Jordan, where it will contribute to the overall electrical energy supply of the plant. Real data from As Samra Wastewater Treatment Plant is used to model and calculate the available waste heat using TRNSYS® software. The Organic Rankine Cycle model is then developed using ASPEN PLUS® software to explore the impact of operational parameters and determine their optimal values for maximizing the plant's energy profile. An economic analysis is conducted to assess the feasibility of the proposed model, considering system components, installation, operation, and maintenance costs. To optimize the Organic Rankine Cycle system, the study employs the Multi-Output Support Vector Regression technique to capture nonlinear relationships between independent variables (fluid type, turbine inlet pressure, turbine inlet temperature, turbine outlet pressure, and mass flow rate) and dependent variables (pump power input, waste heat input, and turbine specific work). The Osprey optimization algorithm is used to address the multi-objective optimization problem, with the proposed Pareto-based Osprey Optimization Algorithm and the Multi-Objective Particle Swarm Optimization technique being employed to evaluate critical performance and economic parameters such as system thermal efficiency, net power output, and the levelized cost of electricity. The results of the optimization strategies indicate that the M-SVR model's prediction accuracy is significantly improved after parameter optimization, with the model returning high R 2 and low Mean Square Error values of 0.991 and 0.00216, respectively. The Pareto-Based Osprey Optimization Algorithm optimizer identifies the best working fluid as Isobutane/Isopentane in a ratio of 66:34, with optimal turbine inlet pressure and temperature of 15 bars and 218 °C, respectively. In conclusion, the Organic Rankine Cycle model at these optimal conditions achieves a cycle efficiency of 19.93% and an Levelized Cost of Electricity value of 0.0353 USD/kWh.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗