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Multiphysics modeling of a critical dual-purpose canister in a saturated geological repository

Dual purpose dry cask storage canisters for spent nuclear fuel are designed for storage and transportation, but are not licensed for permanent disposal in a geological repository. If dual purpose canisters were to be used to dispose of spent nuclear fuel in a geological repository, they would be expected to eventually breach and be flooded with groundwater, and it is shown that some fraction of these canisters will achieve criticality. In order to evaluate the consequences of canisters going critical in a repository, an initial capability has been developed for estimating the quasi-static power level of a critical canister using loosely coupled multiphysics simulations. The low power level in a critical canister enables coupling through precomputed physics proxies. This calculated power level is then used to compute the change in the critical canister’s isotopic inventory as a function of time. Three as-loaded canisters are evaluated and two were found to have power levels below 4 kW, with a modest effect on the radiological inventory over time. This effort also shows that although some DPCs will have extremely peaked power shapes, the relatively low power and long-time scales result in relatively homogenized thermohydraulic properties in the water within the DPC.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Prediction of the thermal-hydraulic-mechanical response of a geological repository at large scale and sensitivity analyses

To better understand the Thermal-Hydraulic-Mechanical (THM) response of the rock caused by the high-level radioactive waste (HLW) released heat in the Callovo-Oxfordian formation (COx) in the near-field and far-field areas, a series of coupled THM modelling is performed. This study presents a case study based on the French geological repository for HLW (Cigéo project) to better assess modelling of deep geological repositories (DGR) within the DECOVALEX-2019 framework. In this study, the proposed coupled THM model, implemented in the platform of COMSOL, is validated by comparing the modelled THM results for a point heat source in an infinite rock mass with an analytical solution. It is also validated by comparing its thermal component for the Base Case with accurate results calculated using another numerical method. To shorten the calculation time, the DGR is modelled using six cuboid blocks representing 162 HLW cells and only six central HLW cells of interest modelled in detail. This simplification is validated. This model can easily be used to model not only the near-field THM response of the rock but also the far-field THM response. The influence of the boundary conditions applied on the gallery wall, HLW cell walls, and external surfaces of the model and the influence of different vertical dimensions of the geometry are studied. The sensitivity analyses of the THM parameters of COx on the THM response at different locations are performed. Finally, the influence of using a 2-dimensional (2D) model to represent a 3-dimensional (3D) repository is also investigated.

58 GEOSCIENCES↗

Fault Stability Perturbation by Thermal Pressurization and Stress Transfer Around a Deep Geological Repository in a Clay Formation

The increase of temperature of a low-permeability, fluid-saturated media may trigger significant thermal pressurization, where the expansion of pore fluid cannot be accommodated by the thermal expansion of the pore space. With the aid of a coupled thermohydromechanical numerical simulator, we investigate the possible impact of thermal pressurization during the life of a deep geological repository (DGR) for high-level radioactive waste, characterized by the emplacement of radioactive material-filled canisters in a series of parallel tunnels, excavated in a low-permeability clay formation. We represent the fault as a planar structure embedded in a thermoporoelastic material and shear activation evaluated by a strain-softening Mohr-Coulomb failure criterion. The results show that stress changes caused by temperature and thermal pressurization of a rock mass around the emplacement tunnels may trigger a slip event on a fault plane in proximity of the geological disposal site: Rupture nucleates at depth, hundreds of meters below the DGR. Stress transfer plays a key role, while a direct hydraulic connection between the repository and the nucleation zone is not necessary in order to trigger rupture. A low stress ratio may favor the occurrence of slip up to a distance of 600 m of the fault from the outermost tunnel. Furthermore, these results highlight the need of investigating hydromechanical properties and local stress conditions at depth to characterize the geomechanical response of weak planes located in the surroundings of a high-level radioactive waste repository and to provide sufficient knowledge for the safe development of the DGR site.

58 GEOSCIENCES↗

Long-length Scintillating Fibers for Nuclear Geological Repositories

This research focuses on the usage of plastic scintillating fibers as ruggedized detectors in long-length sections coupled to long-length standard optical fiber segments for the purpose of radiation detection and monitoring. This technology addresses a need for monitoring radiation in difficult-to-access or inaccessible areas, such as monitoring: radioactive waste within geological repositories, nuclear material storage facilities, spent fuel dry storage areas, inaccessible areas within nuclear facilities including reactors and reprocessing facilities, decommissioning of nuclear facilities, and other similar areas. The fiber can be placed along the tunnels of a geological repository to monitor the radiation field along its length. This can detect an increase of radiation due to movement, leakage, or unexpected opening of the containers, as well as decrease in the radiation due to removal of material. These capabilities have been demonstrated at INL’s Radioactive Scrap Waste Facility by successfully detecting the removal of an interim storage containers from the storage area. The poster focuses on explaining the technology and its capability in monitoring deep geological repositories (DGRs), especially in the domain of safety and international safeguards. As more countries consider the development of DGRs, technologies such as the one being presented can help establish continuity of knowledge of the material, maintain public confidence, and ensure safe operation of the facility. Furthermore, the poster looks at the future steps of the technology and its potential role in the international safeguards regime.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗

On the long-term migration of uranyl in bentonite barrier for high-level radioactive waste repositories: The effect of different host rocks

Repositories for high level radioactive waste hosted in argillite or granite with bentonite backfill are the two disposal concepts that been extensively studied. A general perception is that granite has very low sorption capacity and therefore is disadvantageous in retarding the migration of radionuclides in comparison with argillite. However, when there is bentonite backfill, does the sorption capacity of granite really matter for the migration of radionuclides? How different host rocks would affect the migration of U(VI) through the bentonite backfill of an engineered barrier system (EBS), and which properties of the host rocks cause those differences in migration, given that migration of radionuclides is a critical measure in assessing the performance of a repository? Here we present two coupled thermal, hydrological, and chemical models for the transport of U(VI), each with an identical setup except for the type of host rock (argillite vs granite rock). Comparisons between our models show that the different host rocks exert their influence on migration of U(VI) via regulating the chemical conditions in the bentonite, which affect the concentration of U(VI) at the source and the adsorption of U(VI) in the bentonite. The key chemical conditions are pH, Ca + , and HCO 3 - concentration in pore-water, which are strongly affected by soluble carbonate minerals. Our models also show the occurrence of illitization (dissolution of smectite and precipitation of illite) in the bentonite, which affects the migration of U(VI) through changing pH and the quantity of adsorbents. Although generalization of current model results for granite and argillite should be done carefully, the simulations highlight the importance of pore-water chemistry in host rock, as well as bentonite-host rock interactions, when assessing the performance of a repository. In comparison to properties such as thermal conductivity, permeability, and adsorption capacity, properties that have been studied intensively, the pore-water chemistry of host rocks deserve equal or even more attention because of its strong influence on radionuclide migration.

58 GEOSCIENCES↗

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.

Materials Science↗

Modelling uranium dioxide corrosion under repository conditions: A pore-scale study of the chemical and thermal processes

This paper investigates the corrosion behaviors of spent uranium dioxide (UO 2 ) fuel when placed in geological repositories. We performed pore-scale reactive transport simulations of the UO 2 corrosion process in a defective fuel rod with different orientations of breach or fracture on its clad. It is found that the corrosion rate has strong dependency on the breach orientation. The highest corrosion rate of UO 2 is calculated when the angle between the groundwater flow direction and the clad fracture reaches 180°. UO 2 corrosion simulations with different flow rates are compared. The results show the higher flow rate accelerates the corrosion of UO 2 fuel. The effect of pH on the corrosion process is also determined. It is indicated that higher pH can limit the corrosion of UO 2 by reducing the reaction rate. The dependence of reaction rate and time on reactive surface area is explored. Spent fuel with lower surface area demonstrates longer lifetime under corrosion conditions. A numerical model coupling thermal conduction and chemical reactions is developed to assess the impact of temperature on the process of UO 2 corrosion. The results show that higher temperature leads to larger corrosion rates for UO 2 . Here, the predicted reaction rates are higher in comparison with the isothermal results. Hence, our results can help improve the fundamental understanding of UO 2 corrosion in geological repositories for long-term storage of spent nuclear fuels and provide guidance for the safe operations and selection of appropriate repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Enthalpies of formation of polyhalite: A mineral relevant to salt repository

Polyhalite is an important coexisting mineral with halite in salt repositories for nuclear waste disposal, such as Waste Isolation Pilot Plant (WIPP) in Carlsbad, New Mexico. The thermal stability of this mineral is a key knowledge in evaluating the integrity of a salt repository in the long term, as water may release due to thermal decomposition of polyhalite. Previous studies on structural evolution of polyhalite at elevated temperatures laid the basis for detailed calorimetric measurements. Using high-temperature oxide-melt drop-solution calorimetry at 975 K with sodium molybdate as the solvent, we have determined the standard enthalpies of formation from constituent sulfates (ΔH° f,sul ), oxides (ΔH° f,ox ) and elements (ΔH° f,ele ) of a polyhalite sample with the composition of K 2 Ca 2 Mg(SO 4 ) 4 ·1.95H 2 O from the Salado formation at the WIPP site. The obtained results are: ΔH° f,sul = -152.5 ± 5.3 kJ/mol, ΔH° f,ox = -1926.1 ± 10.5 kJ/mol, and ΔH° f,ele = -6301.2 ± 9.9 kJ/mol. Furthermore, based on the estimated formation entropies of polyhalite, its standard Gibbs free energy of formation has been derived to be in the range of -5715.3 ± 9.9 kJ/mol to -5739.3 ± 9.9 kJ/mol. In conclusion, these determined thermodynamic properties provide fundamental parameters for modeling the stability behavior of polyhalite in salt repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Implementation of FAIR principles in the IPCC: the WGI AR6 Atlas repository

The Sixth Assessment Report (AR6) of the Intergovernmental Panel on Climate Change (IPCC) has adopted the FAIR Guiding Principles. We present the Atlas chapter of Working Group I (WGI) as a test case. We describe the application of the FAIR principles in the Atlas, the challenges faced during its implementation, and those that remain for the future. We introduce the open source repository resulting from this process, including coding (e.g., annotated Jupyter notebooks), data provenance, and some aggregated datasets used in some figures in the Atlas chapter and its interactive companion (the Interactive Atlas), open to scrutiny by the scientific community and the general public. We describe the informal pilot review conducted on this repository to gather recommendations that led to significant improvements. Finally, a working example illustrates the re-use of the repository resources to produce customized regional information, extending the Interactive Atlas products and running the code interactively in a web browser using Jupyter notebooks.

54 ENVIRONMENTAL SCIENCES↗

Damage-plasticity model of the host rock in a nuclear waste repository

The paper describes damage-plasticity model for the modelling of the host rock environment of a nuclear waste repository. Radioactive Waste Repository Authority in Czech Republic assumes the repository to be in a granite rock mass which exhibit anisotropic behaviour where the strength in tension is lower than in compression. In order to describe this phenomenon, the damage-plasticity model is formulated with the help of the Drucker-Prager yield criterion which can be set to capture the compression behaviour while the tensile stress states is described with the help of scalar isotropic damage model. The concept of damage-plasticity model was implemented in the SIFEL finite element code and consequently, the code was used for the simulation of the Äspö Pillar Stability Experiment (APSE) which was performed in order to determine yielding strength under various conditions in similar granite rocks as in Czech Republic. The results from the performed analysis are presented and discussed in the paper.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Dose rate profile surrounding a repository

The focus of this research was to analyze the dose rate profile around a waste repository using Monte Carlo techniques. Dose rates at various heights and distances were analyzed outside of the waste repository using MCNPX [1]. The heights measured extended the height of the building and the distances varied between 0 and 22 m away from the waste repository. The simulation data were fitted by smooth analytical functions for different height levels and distances, such that vertical and horizontal dose rates as functions of source-detector distance were achieved. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Report on Modeling Coupled Processes in the Near Field of a Clay Repository

Clay/shale has been considered as potential host rock for geological disposal of high-level radioactive waste throughout the world. Coupled thermal, hydrological, mechanical, and chemical (THMC) processes have a significant impact on the long-term safety of a clay repository. For example, the excavation damaged zone (EDZ) near repository tunnels can modify local permeability (resulting from induced fractures), potentially leading to less confinement capability. This report documents results from three R&D activities: (1) implementation and validation of constitutive relationships, (2) development of a discrete fracture network (DFN) model for investigating coupled processes in the EDZ, and (3) development of a THM model for the FE tests at Mont Terri, Switzerland, for the purpose of model validation. The overall objective of these activities is to provide an improved understanding of EDZ evolution in clay repositories and the associated coupled processes, and to develop advanced relevant modeling capabilities.

54 ENVIRONMENTAL SCIENCES↗

Disposal Concepts for a High-Temperature Repository in Shale.

Disposal of large, heat-generating waste packages containing the equivalent of 21 pressurized water reactor (PWR) assemblies or more is among the disposal concepts under investigation for a future repository for spent nuclear fuel (SNF) in the United States. Without a long (>200 years) surface storage period, disposal of 21-PWR or larger waste packages (especially if they contain high-burnup fuel) would result in in-drift and near-field temperatures considerably higher than considered in previous generic reference cases that assume either 4-PWR or 12-PWR waste packages (Jové Colón et al. 2014; Mariner et al. 2015; 2017). Sevougian et al. (2019c) identified high-temperature process understanding as a key research and development (R&D) area for the Spent Fuel and Waste Science and Technology (SFWST) Campaign. A two-day workshop in February 2020 brought together campaign scientists with expertise in geology, geochemistry, geomechanics, engineered barriers, waste forms, and corrosion processes to begin integrated development of a high-temperature reference case for disposal of SNF in a mined repository in a shale host rock. Building on the progress made in the workshop, the study team further explored the concepts and processes needed to form the basis for a high-temperature shale repository reference case. The results are described in this report and summarized..

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Draft Experimental Plan for Commercial SNF Degradation in Repository Environments with a Focus on Fracture Matrix Degradation

This report documents work performed supporting US Department of Energy (DOE) Nuclear Energy Spent Fuel and Waste Disposition, Spent Fuel and Waste Science and Technology, under work breakdown structure element 1.08.01.03.04, “Inventory and Waste Form Characteristics and Performance.” In particular, this report fulfills the M3 milestone, M3SF-21OR010309072 "Draft Experimental Plan for Commercial SNF Degradation in Repository Environments” as described in work package SF-21OR01030907 "SNF Degradation Testing-ORNL".This experimental plan is a collaboration between ORNL, SNL, ANL, and PNNL. It is intended to support source term model development and spent fuel degradation testing in a range of generic repository conditions. Potential testing and experiments to support validation of the Fuel Matrix Dissolution Model (FMDM) and the overall development/validation of repository source term modeling are discussed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

ORNL Input to GDSA Repository Systems Analysis FY21

This document satisfies the M3 milestone M3SF-21OR010304082 titled “ORNL Input to GDSA Repository Systems.” This document describes the current status of Oak Ridge National Laboratory’s (ORNL’s) efforts related to analyses of dual-purpose canister (DPC) disposal in unsaturated alluvium with a focus on thermal hydrological constraints on criticality timing and power output. This analysis updates previous analyses of thermal hydrological constraints on timing and power output of a potential criticality event in Dual-Purpose Canisters (DPCs) in a hypothetical repository in unsaturated alluvium using a more realistic representation of heat transport inside dry DPCs. PFLOTRAN was used for the simulations of multiphase thermal hydrology near a single DPC. The scenario considers a DPC failure at 9000 years, allowing water to enter and eventually fill the DPC. Once the DPC is filled to a level that could support a criticality event, different values for criticality power output were added to the decay heat. The main objective is to bound the power output that could be produced by a criticality event without driving water out of the package. For the conditions analyzed here, following a package breach, the alluvial formation could supply enough water to allow enough accumulation in the DPC to support a criticality event. However, the power output that would be generated is limited to modest values by loss of water moderator due to evaporation and vapor diffusion. In the reference case scenario, the DPC would not start to fill with water until about 16,000 years post closure and would not fill to a level that allows a criticality event until approximately 25,000 years post closure. The long-term average power output that could be sustained without driving off the water and terminating the criticality event is limited to approximately 100 W. Sensitivity to assumed conditions and parameters in the reference case, especially the deep percolation rate, need to be addressed but could not be undertaken because of numerical failures of the PFLOTRAN code running in general mode in the dry conditions of an unsaturated alluvium repository

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Workshop on Using a Git-based Repository for ASTM Committee Technical Knowledge Capture [Slides]

Consensus technical standards maintained by ASTM International rely on individual contributors to act as technical contacts, effectively stewards, for a particular standard. As a particular standard’s technical content evolves over time, the contact must update relevant tables, graphics, and supporting discussion. However, the details of the data sources and/or processes used to perform such updates may be separate enough from the standard such that expert knowledge is required to perform these updates. As a result of this need for expert knowledge, and the desire to capture that knowledge, subcommittee E10.05 (Nuclear Radiation Metrology) has experimented with using a git-based repository to capture data and processes to reproduce figures needed by E10.05 to maintain the ASTM standards under their jurisdiction. This workshop will provide an overview of the git-based repository site’s organization, operation, and outputs. It will then lead interested workshop participants through adding content, not yet already included in the repository to the site.

42 ENGINEERING↗

New Virtual Test Bed Capabilities: Virtual DOME Model and New Updates to Repository

The Department of Energy (DOE) Office of Nuclear Energy National Reactor Innovation Center accelerates the deployment of novel reactor concepts by establishing both physical and virtual spaces for building and testing various components, systems, and complete pilot plants. The Virtual Test Bed represents the virtual arm of the National Reactor Innovation Center and is a joint effort with the DOE Nuclear Energy Advanced Modeling and Simulation Program. The Virtual Test Bed mission is to accelerate the deployment of advanced reactors by facilitating the adoption of cutting-edge DOE advanced modeling and simulation tools to design, evaluate, and license reactors. This is primarily achieved by storing example challenge problems in an externally available repository and by developing models to fill the M&S gaps needed for potential demonstrators. Activities conducted this fiscal year focused on developing of a Demonstration of Microreactor Experiments shield model to help accelerate the confirmatory analysis required for the reactor demonstration. This model and workflow will allow developers to leverage advanced modeling and simulation tools to ensure their reactor demonstration concept will meet dose requirements and that the surrounding shield will stay within concrete temperature limits during steady-state and transient operation conditions. An initial model has been developed to evaluate the temperature distribution in the concrete shield during steady-state operation, including neutron and gamma heating effects. Various modeling strategies have been examined to understand their applicability and limitations with different reactor designs to make the workflow as reactor-agnostic as possible and computationally effective to maximize its usability. In addition to describing the Demonstration of Microreactor Experiments shield model and associated results, this report summarizes other accomplishments regarding repository maintenance and improvement and new external models hosted on the repository.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Utilizing Time Reversal Ultrasonics to Detect the Removal of Nuclear Materials from Geological Repositories (FY26 Mid-Year)

Detecting unauthorized nuclear material removal from storage environments, such as geological repositories, is a critical safeguards task essential to ensuring the integrity and non-diversion of nuclear materials. However, this process is fraught with significant technical challenges. Storage configurations often involve tightly packed nuclear material containers or obstructed environments, making detection of removal events exceedingly difficult. Optical surveillance cameras, which are commonly used for monitoring, suffer from substantial limitations, including restricted coverage, reliance on line-of-sight measurements, and vulnerability to environmental conditions in certain storage scenarios. As the global inventory of monitored nuclear materials increases and storage configurations become more complex— such as deep geological repositories, inaccessible storage vaults, and tightly packed containers—there is an urgent need for innovative detection technologies that can reliably identify unauthorized diversion events in these challenging environments. The challenge of detecting nuclear material removal in complex storage environments is both significant and urgent. Preventing unauthorized access, diversion, or tampering with nuclear materials is a cornerstone of global nuclear safeguards and nonproliferation efforts. Current detection methods are increasingly inadequate as storage configurations become more intricate and inaccessible. The limitations of existing technologies—such as their inability to detect changes behind obstructions, reliance on costly and labor-intensive processes, and vulnerability to environmental conditions—pose risks to the effectiveness of safeguards systems. Addressing this challenge is critical to maintaining international trust in nuclear safeguards frameworks and ensuring compliance with nonproliferation agreements. Our project builds on the proven concept of TRU technology that can address this unmet need. TRU has demonstrated exceptional spatial sensitivity and change detection capabilities in complex non-line-ofsight environments, making it uniquely suited for detecting unauthorized nuclear material removal in challenging storage configurations. Unlike optical methods, TRU is not limited by line-of-sight constraints or environmental conditions, enabling reliable detection of subtle alterations even behind obstructions. By leveraging TRU’s ability to identify removal or tampering events, we aim to develop a robust detection system that enhances safeguards in geological repositories, storage vaults, and other complex environments.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗