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DOE OSTI2025

An approach for spent nuclear fuel containment integrity verification using gas tagging

Verification of containment integrity is required for spent nuclear fuel (SNF) managed by the commercial nuclear industry and U.S. Department of Energy (DOE), especially after extended storage. Certain SNF storage systems, such as the DOE road-ready dry storage system, hold several packaged containments within a welded over-canister. These packaged containments are called Department of Energy Standard Canisters (DOESCs). DOESC leakage identification is challenging because their containment boundary cannot be accessed for testing and their contents (i.e., SNF and fill gas) are often similar. There are concerns that this could result in costly characterization and repackaging operations of DOE road-ready dry storage systems if compromised DOESCs are suspected. Here, to address these concerns, this paper presents an approach for applying a gas tagging process using xenon to uniquely identify compromised inaccessible containments following extended storage. The containments considered for this application are seven DOESCs, each packaged within a single over-canister. Two different SNF loading configurations from the Advanced Test Reactor and Fort Saint Vrain nuclear power plant are considered. These configurations are used to represent research reactor aluminum-clad spent nuclear fuel (ASNF) and TRi-structural ISOtropic (TRISO) SNF types. Results for this application show that for ASNF and TRISO type fuels for which the selected fuels are representative, the volume of taggant required at loading is determined primarily by the lower detection limit and leak rate of taggant from a compromised DOESC, rather than the amount of fission-generated xenon in the loaded fuel. While the application presented is suited for larger leaks, smaller leaks could be detected by modifying certain design parameters. This gas tagging approach can also be applied to other DOE containments and advanced reactor SNF storage systems.

07 - ISOTOPES AND RADIATION SOURCES↗

DOE OSTI2024

High‐Pressure Synthesis and Recovery of Single Crystals of the Metastable Manganese Carbide, MnC x

Abstract Transition metal carbides find widespread use throughout industry due to their high strength and resilience under extreme conditions. However, they remain largely limited to compounds formed from the early d‐block elements, since the mid‐to‐late transition metals do not form thermodynamically stable carbides. We report here the high‐pressure bulk synthesis of large single crystals of a novel metastable manganese carbide compound, MnC x (P6 3 /mmc), which adopts the anti‐NiAs‐type structure with significant substoichiometry at the carbon sites. We demonstrate how synthesis pressure modulates the carbon loading, with ~40 % occupancy being achieved at 9.9 GPa.

Chemistry↗

DOE OSTI2025

Combining four-point bending and corrosion to map stress-dependent corrosion susceptibility of 316H stainless steel in FLiNaK

Understanding the effect of stress on the corrosion of steels in molten salts is important for material screening and safety assessment of molten salt reactors. We present a method that combines four-point bending with corrosion testing, enabling the mapping of corrosion susceptibility as a function of local stress from a single specimen. Guided by finite element analysis, a four-point bending setup was used to bend a 316H stainless-steel bar under controlled elastic stress during a 100-hour exposure in FLiNaK at 700 °C. Post-exposure characterization using scanning electron microscopy and energy-dispersive X-ray spectroscopy revealed a pronounced correlation between stress and corrosion. Regions under tensile stress exhibited significantly deeper attack depths and greater chromium depletion along grain boundaries, whereas compressive zones showed shallower corrosion cracks. The stress effect is attributed to stress concentration under tensile loading, which promotes chromium dissolution and crack propagation. This technique can be readily applied to other structural alloys, enabling quantitative measurement of corrosion susceptibility as a function of local stress.

316H↗

DOE OSTI2024

Towards Polymer-Free, Femto-Second Laser-Welded Glass/Glass Solar Modules

This project explores the use of femto-second (fs) lasers to form glass-to-glass welds for hermetically sealed, polymer-free solar modules. Low iron solar glass coupons were welded together without the use of glass filler using a fs laser with dedicated optics to elongate the focal plane parallel to the incident beam. The resulting welds were then stress tested to failure to reveal the critical stress intensity factor, KIc. These values were used in a structural mechanics model of a 1 m by 2 m glass/glass module under a simulated static load test. The results show that the fs laser welds are strong enough for a suitably framed module to pass the IEC 61215 static load test with a load of 5400 Pa. Key to this finding is that the module must be framed and braced, and the glass must be ribbed to allow pockets for the cells and welds inside the border of the module. The result is a module design that is completely polymer-free, hermetically sealed, has improved thermal properties, and is easily recycled.

femto-second laser welded↗

DOE OSTI2024

Dynamic Temporal Graph Sequence Data for Resilience-Oriented Distribution Network Reconfiguration

This dataset comprises temporal dynamic graph sequences generated from power grid simulations focused on grid reconfiguration to enhance resilience. The simulations model failure propagation under varying conditions, with nodes assigned distinct failure probabilities. For each time step, the dataset captures the evolution of node states (functional or failed) and features critical to grid operations, such as pv_output, load_profile, load_dispatch, dg_output, loss, and voltage. Node types include sources, normal loads, and nodes with specific equipment like PVs, micro turbines, or shunt capacitors. The dataset is structured to support the training of dynamic graph neural networks, facilitating research on node feature prediction and edge dynamics under failure scenarios. Three distinct configurations are included, providing a robust foundation for modeling power grid resilience.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2026

Design of a shipping fixture for a compact cryomodule hermetic assembly

In support of the development of a conduction-cooled 915MHz superconducting radio frequency (SRF) cryomodule, this study highlights the design of a shipping fixture for transporting the hermetic assembly 4500 km from Jefferson Lab to General Atomics in San Diego, California. The hermetic assembly consists of a 2-cell 915 MHz SRF cavity, a coaxial fundamental power coupler and warm-to-cold transition beam tubes. The two-part shipping assembly consists of an inner frame, providing direct mounting of the components, and an outer frame mounted to the ground transport vehicle. The inner frame is then connected to the outer frame by way of wire-rope isolators. Accelerometer data from ground transportation of previous projects at Jefferson Lab provides the baseline for the expected frequency and magnitude of vibrational and shock events during transit. Modal analyses were carried out in ANSYS on the inner frame assembly and critical components to identify an appropriate wire-rope isolator configuration such that peak loads are mitigated and the incurred frequencies do not correspond with the fundamental modes of the structures.

Accelerator Physics↗

DOE OSTI2026

Efficient derivative computation for unsteady fatigue-constrained nonlinear aero-structural wind turbine blade optimization

Gradient-based optimization offers significant efficiency advantages for wind turbine blade design, but its application has often been limited by the cost and accuracy of finite-difference derivative calculations, especially when fatigue constraints are considered. In this work, we systematically compare and evaluate four differentiation techniques, namely algorithmic differentiation, implicit differentiation, sparsity exploitation, and parallelization, to determine their effectiveness in computing accurate gradients through time-domain aero-structural simulations. By integrating these techniques with unsteady nonlinear aerodynamic and structural models, we develop software designed for accurate gradient computation. We show that combining these techniques addresses memory and runtime challenges associated with long simulations required by design load cases. Specifically, the most effective combination reduces derivative computation wall time by over an order of magnitude compared to finite differencing while maintaining superior accuracy. We demonstrate this approach in a proof-of-concept aero-structural optimization of a wind turbine blade that improves the cost of energy by 12.78 %. This comparative study establishes a viable approach for fatigue-aware blade design that balances computational efficiency with modeling accuracy.

17 WIND ENERGY↗

DOE OSTI2026

Disruption modelling for engineering and physics design of ST-E1 fusion power plant

Plasma disruptions represent a critical challenge for high-performance tokamak operations, as they can compromise machine integrity and reduce operational availability. Although future fusion devices essentially need to incorporate strategies to minimise disruption occurrence, complete avoidance remains unattainable. Consequently, assessing and characterising unmitigated disruption consequences is fundamental for the design and qualification of next-generation fusion power plants. This work supports the pre-conceptual design of ST-E1, a low aspect-ratio Tokamak Fusion Power Plant developed by Tokamak Energy Ltd., by presenting a comprehensive disruption modelling approach applied across different design stages. The methodology integrates both physics and engineering considerations to evaluate the impact of disruptions on machine performance and structural integrity. From an engineering perspective, several ST-E1 layout options were analysed to investigate the electromagnetic response of key components under disruption-induced loads, enabling comparison between alternative design solutions. On the physics side, a broad set of disruption scenarios was explored, scanning operational space parameters, plasma-material interactions, and associated thermal loads. Furthermore, the study examined variations in disruption behaviour arising from different reference equilibria, focusing on a range starting from Double Null to Single Null configurations, reflecting the increasing up-down asymmetry consequences. The results reveal significant contrasts in plasma dynamics and structures electromagnetic behaviour between configurations, highlighting the importance of disruption modelling in guiding design choices. These analyses have proven instrumental in shaping ST-E1 development, offering critical insights for mitigating risks and optimising future fusion power plant designs.

Borowiec, Katarzyna [ORNL] (ORCID:0000000335911739↗

DOE OSTI2024

Catch bond kinetics are instrumental to cohesion of fire ant rafts under load

Dynamic networks composed of constituents that break and reform bonds reversibly are ubiquitous in nature owing to their modular architectures that enable functions like energy dissipation, self-healing, and even activity. While bond breaking depends only on the current configuration of attachment in these networks, reattachment depends also on the proximity of constituents. Therefore, dynamic networks composed of macroscale constituents (not benefited by the secondary interactions cohering analogous networks composed of molecular-scale constituents) must rely on primary bonds for cohesion and self-repair. Toward understanding how such macroscale networks might adaptively achieve this, we explore the uniaxial tensile response of 2D rafts composed of interlinked fire ants ( S. invicta ). Through experiments and discrete numerical modeling, we find that ant rafts adaptively stabilize their bonded ant-to-ant interactions in response to tensile strains, indicating catch bond dynamics. Consequently, low-strain rates that should theoretically induce creep mechanics of these rafts instead induce elastic-like response. Our results suggest that this force-stabilization delays dissolution of the rafts and improves toughness. Nevertheless, above 35 % strain low cohesion and stress localization cause nucleation and growth of voids whose coalescence patterns result from force-stabilization. These voids mitigate structural repair until initial raft densities are restored and ants can reconnect across defects. However mechanical recovery of ant rafts during cyclic loading suggests that—even upon reinstatement of initial densities—ants exhibit slower repair kinetics if they were recently loaded at faster strain rates. These results exemplify fire ants’ status as active agents capable of memory-driven, stimuli-response for potential inspiration of adaptive structural materials.

Science & Technology - Other Topics↗

DOE OSTI2024

Experimental investigation of heat treatments on the mechanical performance of grade 300 maraging steel strut-based lattices

Lightweight and strong components are essential for reducing energy consumption and enhancing efficiency. Lattice structures are one such geometry utilized to achieve weight reduction. This study investigates the mechanical properties of various lattice structures fabricated from Maraging Steel (EOS MS1) using the Direct Metal Laser Sintering (DMLS) method. The samples include three distinct cellular geometries: body-centered cubic (BCC), face-centered cubic (FCC), and octet truss configurations, which are subjected to tensile and compressive tests. The primary goal of this research is to evaluate the impact of heat treatment on the mechanical properties of cellular architecture under tensile and compressive loading conditions. Destructive, nondestructive testing, and simulation results were also obtained from different heat treatment processes. It was found that the age-hardened specimens performed the best overall in terms of ultimate tensile/compressive strength and elongation. The top-performing topologies in compression and tension were found to be the octet structure, as they were able to withstand the most loading and straining when compared to the other specimens.

Engineering↗

DOE OSTI2025

The Alamo multiphysics solver for phase field simulations with strong-form mechanics and block structured adaptive mesh refinement

Alamo is a high-performance scientific code that uses block-structured adaptive mesh refinement to solve such problems as: the ignition and burn of solid rocket propellant, plasticity, damage and fracture in materials undergoing loading, and the interaction of compressible flow with eroding solid materials. Alamo is powered by AMReX, and provides a set of unique methods, models, and algorithms that enable it to solve solid-mechanics problems (coupled to other physical behavior such as fluid flow or thermal diffusion) using the power of block-structured adaptive mesh refinement.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Structure of Iridium Oxides and Their Oxygen Evolution Electrocatalysis in Acidic Media

Proton exchange membrane water electrolyzers (PEMWEs) have emerged as one of the most promising technologies for the large-scale production of clean hydrogen. Gigawatt scale deployment of PEMWEs requires substantial reduction in the loading of iridium (Ir), which is one of the most expensive and rarest elements. Substantial reduction in Ir loading calls for the development of innovative Ir-based anodes, which requires a clear understanding of how iridium oxides accelerate the sluggish oxygen evolution reaction (OER) in acidic media. Herein, we studied the structure and OER electrocatalysis of three representative iridium oxides ─ hydrous, amorphous, and rutile ─ by employing a combination of physicochemical and electrochemical characterization. Additionally, we found that the hydrous iridium oxide had a different local structure of IrO 6 octahedra and a superior OER intrinsic activity compared with the other two, and that the OER activities of all three types decreased with decreasing pH of acidic solution. We proposed that the OER process of these iridium oxides is limited by water nucleophilic attack on the OER intermediate oxygenated adsorbates. Based on this mechanism, we attributed the superior OER activity of hydrous iridium oxides to their longer Ir–O bonds and the pH-dependent OER activity of iridium oxides to the pH-dependent oxidation of Ir.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Operando Neutron Imaging of Lithium Flux and Gradient Cathode Design for Enhanced Kinetics in High‐Loading All‐Solid‐State Li─S Batteries

All-solid-state Li–sulfur batteries (ASSLSBs) are considered promising candidates for next-generation energy storage owing to their inherent safety, high energy density, and abundant sulfur resources. However, slow redox kinetics greatly limit sulfur utilization during solid-solid sulfur reactions, leading to significant challenges to achieve efficient performance in high-mass-loading ASSLSBs. Here, operando neutron image is employed to directly visualize, for the first time, that sluggish Li + transport kinetics and the uneven distribution of Li + during cathodic reactions are critical factors limiting sulfur conversion. To address this issue, gradient cathode architectures comprising three and five layers are designed, in which catholyte concentrations are strategically varied to optimize Li-ion flux and enhance ionic conductivity of the whole composite cathode electrode. Operando neutron imaging distinctly visualizes and confirms that three-layer gradient approach significantly enhances Li-ion mobility, resulting in more uniform redox reactions and greatly improved sulfur utilization compared to traditional non-gradient structures. Consequently, the three-layer gradient cathode achieves superior rate performance and reduced electrode polarization at high sulfur mass loadings of 4.5 and 6.0 mg cm −2 . Furthermore, the applicability and scalability of this design are demonstrated in a five-layer gradient cathode architecture, achieving an impressive discharge specific capacity increase from 656 mAh g −1 (three-layer gradient) to 1232 mAh g −1 at 1/20 C for ultra-high sulfur loading of 7.5 mg cm −2 . In conclusion, this innovative gradient cathode design offers substantial advancements in understanding and overcoming Li-ion transport limitations, paving the way toward practical, high-energy-density ASSLSBs.

25 ENERGY STORAGE↗

DOE OSTI2024

Extended-MHD simulations of disruption mitigation via massive gas injection in SPARC

Recent developments to the M3D-C1 code enable higher fidelity modeling of disruptions, and can be applied in the design verification of reactor-scale tokamaks. Among these new capabilities is a method to mesh conducting vessel structures such as coils and passive plates, packing of the toroidal mesh around gas injectors, as well as anisotropic resistivity inside the vessel structures. We present extended-magnetohydrodynamic (MHD) simulations of disruption mitigation via massive gas injection (MGI) in SPARC. The goal of this study is to inform the disruption mitigation layout of SPARC and aid in the design of an effective gas injector configuration. Fully three-dimensional simulations with M3D-C1 are carried out for various injector configurations with the primary goal of determining the effect of different MGI parameters on heat loads and vessel forces. The simulations include a model for impurity ionization, recombination, advection and radiation, as well as spatially resolved conducting structures around the plasma. A localized mixture of deuterium and neon with a small toroidal and poloidal width is injected in up to six locations. We demonstrate that M3D-C1 can model a rapid shutdown via MGI using narrow and more realistic gas plumes than in previous simulations. As a result of the q = 1 surface in the SPARC baseline case a sawtooth is observed early in the simulations. Despite the sawtooth and the onset of edge MHD instabilities, the impurity distribution remains localized around the injector locations, but enables a radiative shutdown of the plasma. We find that using the maximum of six gas injectors results in a lower peaking factor and leads to a more even distribution of radiation toroidally than using two injectors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Aeroelastic Modelling of Large Wind Turbines: Towards a Unified OpenFAST-SEAHOWL Approach

In recent years, the scale of wind turbines has significantly increased to maximize energy capture for a given site (particularly offshore), presenting new challenges in terms of structural design and dynamics. As towers grow taller and blades grow longer, flexion and torsion of the latter have a non-negligible impact on the behavior and performance of the turbine in terms of overall loads, power production, and control. When representing large-scale wind turbines numerically to capture these important effects, particular attention must therefore be given to the level of fidelity for representing each structural component, as well as the coupling scheme used between them to keep simulations accurate, stable, and efficient. To address this issue, we combine here the two following tools: (1) OpenFAST, the reference whole-turbine simulation tool from NREL with standalone modules covering each physics and the choice between loose coupling and a new tight coupling scheme for structural dynamics, and (2) SEAHOWL, the whole-turbine simulation tool from TotalEnergies with monolithic coupling of structural dynamics through Project Chrono and partitioned coupling for multiphysics interactions.

17 WIND ENERGY↗

DOE OSTI2024

Testing and modeling of CLT-to-CLT joints made using hardwood dowels and screws with varying spacing

With the increasing popularity of mass timber, utilizing large-diameter wood screws and hardwood dowels can offer an easy and cost-efficient way to join structural elements. However, the existing research on hardwood dowels is limited to single fastener joints under monotonic loading. No research is available on the group effects of joints with multiple hardwood dowels. Here, this paper presents the results of 96 monotonic and cyclic single-shear plane CLT-to-CLT joint tests with hardwood dowels (Red Oak and Yellow Birch, 25.4 mm diameter) and self-tapping wood screws (8 mm diameter) in Grand-Fir CLT, where screws were inserted both perpendicular and at a 45-degree angle to the grain for comparison to hardwood dowels. The study evaluated the mechanical properties of the joints by changing fastener spacing. Mechanical properties such as yielding and peak strength, displacement, elastic and yielding stiffness, and ductility were evaluated. The results showed equal strength and stiffness properties for hardwood dowels comparable with large-diameter screws. Additionally, the hardwood dowel joints demonstrated moderate ductility properties. The strength and stiffness of the tested joints were compared with analytical equations found in the literature by considering the group action factor of the fasteners. Lastly, a nonlinear force-displacement model was presented and compared to the experimental results and analytical calculations, which gives the possibility to predict and optimize the mechanical behavior of hardwood dowel and screw joints with varying numbers and spacing between fasteners.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Compression rate effects on the Bi-III stability field in dynamic diamond anvil cell XFEL studies of bismuth

This study aims to resolve conflicting observations of bismuth’s high-pressure phase transitions across static, intermediate, and shock compression regimes. We probed its high-pressure structural sequence using the dynamic diamond anvil cell with and time-resolved X-ray diffraction with microsecond resolution at an X-ray free-electron laser. At room temperature and pressures up to 20 gigapascals, bismuth evolves through the same structural sequence previously identified under static compression. However, the transformation behavior differs in important ways under dynamic loading. In particular, the transition from the incommensurate intermediate-pressure phase to the high symmetry high pressure phase begins at pressures about 2 to 4 gigapascals lower than in static experiments, and the onset of this transformation depends on the compression rate. As a result, the stability field of the intermediate-pressure phase is reduced under rapid compression. Our results suggest that at sufficiently fast loading rates the intermediate phase may be bypassed entirely, consistent with previous shock-compression observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Activity and selectivity for CO 2 methanation of clusters and nanoplates of ruthenium dispersed on ceria: In-situ studies with XAFS and DRIFTS

The performance of Ru/CeO 2 catalysts under CO 2 hydrogenation conditions was studied using in situ X-ray absorption fine structure (XAFS) and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) to understand the structural evolution and chemical nature of each component under reaction conditions. The catalysts were prepared using a reverse microemulsion method that maximized the dispersion of RuOx particles on ceria. A RuO x → Ru transformation was observed upon exposure of the RuO x /CeO 2 systems to H 2 at 250 °C. For a sample with 5% molar Ru, two-dimensional clusters (2-4 atoms) of Ru formed on top of the ceria support. An increase in the loading of ruthenium to 20% molar led to the formation of nanoplates of the metal 2-3 atomic layers thick. Both Ru structures were highly dispersed on ceria. They were oxidized after exposure to CO 2 at 250 °C. However, under CO 2 /H 2 mixture, they remained in a metallic state as two-dimensional clusters and nanoplates. In situ DRIFTS studies, the 5% and 20% Ru/CeO 2 catalysts showed distinct reaction intermediates when exposed to CO 2 or CO 2 /H 2 (1/4) reaction mixtures. Normalized to the Ru molar percentage, the 5% Ru/CeO 2 system was the most active catalyst exhibiting a selectivity of ~ 60% CH 4 and 40% CO at 250 °C. On the other hand, under the same reaction conditions, the 20% Ru/CeO 2 system was less active but had a CH 4 selectivity close to 80%. In conclusion, these results highlight the importance of the structure of the metallic Ru particles as a factor that determines the catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗