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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

BOILER Experiment Material Characterization and HFIR Irradiation Status

Pre-oxidized alumina-forming austenitic (AFA) steels have been previously identified as candidate alloys for structural components in lead-cooled fast reactors (LFRs). They offer compatibility with liquid Pb, high-temperature strength, formability, and cost advantages. However, variations in Ni content can affect the formation and stability of the Al 2 O 3 layer, influencing compatibility with liquid Pb. The effect of fast neutron irradiation on Al 2 O 3 stability in liquid Pb also requires evaluation. Therefore, understanding how Ni concentrations impacts pre-oxidized AFAs under combined extremes of irradiation and liquid metal corrosion is essential before safe deployment. The Behavior Of In-situ Lead Environments & Radiation (BOILER) experiment was developed under the Nuclear Science User Facilities (NSUF) program to integrate alloy development, irradiation experiment design, and irradiated materials characterization. In this effort, two pre-oxidized AFA steels with 20 wt% and 25 wt% Ni, hereinafter referred to as GA05-20Ni and GA05-25Ni, were produced. An irradiation experiment was then planned for the High Flux Isotope Reactor (HFIR), designed for passive heating of irradiation rabbit capsules from gamma heating in the HFIR flux trap (1 × 10 15 n/cm 2 ·s, >0.1 MeV). This heating melts Pb and exposes the pre-oxidized AFA steel specimens to nominal temperatures of 400 and 650°C. Detailed neutronics and thermal analyses were performed, though based on nominal design rather than as-built, as-irradiated conditions. This report documents further characterization of the pre-oxidized AFAs in the unirradiated condition. It also includes as-built thermal analysis using measured component dimensions, updated fill gas concentrations, and actual HFIR irradiation positions. Finally, the report summarizes capsule fabrication, current irradiation status, projected completion, estimated damage accumulation, and initial plans for post-irradiation examination plans.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Wehnelt photoemission in an ultrafast electron microscope: Stability and usability

We tested and compared the stability and usability of three different cathode materials and configurations in a thermionic-based ultrafast electron microscope: (1) on-axis thermionic and photoemission from a custom 100 μm diameter LaB 6 source with a graphite guard ring, (2) off-axis photoemission from the Ni aperture surface of the Wehnelt electrode, and (3) on-axis thermionic and photoemission from a custom 200 μm diameter polycrystalline Ta source. For each cathode type and configuration, including the Ni Wehnelt aperture, we illustrate how the photoelectron beam-current stability is deleteriously impacted by simultaneous cooling of the source following thermionic heating. Furthermore, we demonstrate usability via collection of parallel- and convergent-beam electron diffraction patterns and by formation of the optimum probe size. We find that usability of the off-axis Ni Wehnelt-aperture photoemission is at least comparable to on-axis LaB 6 thermionic emission, as well as to on-axis photoemission [the heretofore conventional approach to ultrafast electron microscopy (UEM) in thermionic-based instruments]. However, the stability and achievable beam currents for off-axis photoemission from the Wehnelt aperture were superior to that of the other cathode types and configurations, regardless of the electron-emission mechanism. Beam-current stability for this configuration was found to be ±1% (one standard deviation from the mean) for 70 min (longest duration tested), and steady-state beam current was reached within the sampling-time resolution used here (~1 s) for 15 pA beam currents (i.e., 460 electrons per packet for a 200 kHz repetition rate). Repeatability and robustness of the steady-state condition were also found to be within ±1% of the mean. We discuss the implications of these findings for UEM imaging and diffraction experiments, for pulsed-beam damage measurements, and for practical switching between optimum conventional TEM and UEM operation within the same instrument.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Effect of glutathione-coated Mn-doped ZnS quantum dots on nutrient delivery in basil ( Ocimum basilicum ) plants

Ensuring efficient nutrient delivery while minimizing environmental impacts remains a significant challenge for modern agriculture. Nanotechnology-based fertilizers offer promising strategies to improve nutrient uptake and bioavailability in plants. This research aims to evaluate the use of Glutathione-coated Manganese-doped Zinc Sulfide quantum dots (GSH-ZnS-Mn QDs) as a potential nano fertilizer for basil (Ocimum basilicum). QDs' physicochemical properties were characterized using UV–Vis spectroscopy, photoluminescence, FTIR, and energy-dispersive X-ray spectroscopy, confirming successful Mn doping and glutathione surface functionalization. Basil plants were exposed to different concentrations of GSH-ZnS-Mn QDs under soil and hydroponic conditions. Plant growth parameters, oxidative stress responses, photosynthetic pigments, and macro- and micronutrient uptake were assessed using biochemical assays and inductively coupled plasma optical emission spectrometry (ICP-OES). Elemental uptake, spatial distribution, and zinc speciation were further investigated using synchrotron-based micro-X-ray fluorescence (μ-XRF) imaging and X-ray absorption near-edge structure (XANES) spectroscopy. Results show that exposure to GSH-ZnS-Mn QDs resulted in a concentration-dependent increase in leaf and stem biomass, accompanied by enhanced Zn accumulation in plant tissues. Catalase activity decreased across all tested concentrations, suggesting a shift toward glutathione-dependent antioxidant pathways rather than oxidative damage. Chlorophyll levels exhibited moderate reductions at higher concentrations. The higher increase in macronutrient (K, Ca, and Mg) uptake was reported in plants exposed to 200 ppm of QDs. μ-XRF imaging indicated a selective accumulation of Zn in roots and stems, with partial translocation to leaves. XANES analyses revealed that Zn from QDs was mainly converted into organic Zn species, such as Zn-phytate, Zn-acetate, and Zn-cysteine, indicating transformation and complexation within the plant. The findings demonstrate that a glutathione coating on GSH-ZnS-Mn QDs improves biocompatibility and nutrient delivery efficiency. These results highlight the relevance of surface functionalization in regulating nanoparticle fate, transformation, and nutrient bioavailability, supporting the potential application of GSH–ZnS–Mn QDs as modern nano fertilizers.

Basil↗
DOE OSTI2025

The Impact of Carotenoid Energy Levels on the Exciton Dynamics and Singlet–Triplet Annihilation in Isolated Bacterial Light-Harvesting 2 Complexes

The light-harvesting 2 (LH2) complex of purple phototrophic bacteria plays a critical role in absorbing solar energy and distributing the excitation energy. Exciton dynamics within LH2 complexes are controlled by the structural arrangement and energy levels of the bacteriochlorophyll (BChl) and carotenoid (Car) pigments. However, there is still debate over the competing light-harvesting versus energy-dissipation pathways. In this work, we compared five variants of the LH2 complex from genetically modified strains of Rhodobacter sphaeroides, all containing the same BChls but different Cars with increasing conjugation: zeta-carotene (N = 7; LH2 Zeta ), neurosporene (N = 9; LH2 Neu ), spheroidene (N = 10; LH2 Spher ), lycopene (N = 11; LH2 Lyco ), and spirilloxanthin (N = 13; LH2 Spir ). Absorption measurements confirmed that the Car excited-state energy decreased with increasing conjugation. Similarly, fluorescence spectra showed that the B850 BChl emission peak had an increasing red shift from LH2 Zeta →(LH2 Neu /LH2 Spher )→LH2 Lyco →LH2 Spir . In contrast, time-resolved fluorescence and ultrafast transient absorption (fs-TA) revealed similar excited-state lifetimes (∼1 ns) for all complexes except LH2 Spir (∼0.7 ns). From fs-TA analysis, an additional ∼7 ps nonradiative dissipation step from B850 BChl was observed for LH2 Zeta . Further, singlet− singlet and singlet−triplet annihilation studies showed a ∼50% average fluorescence lifetime reduction in LH2Zeta at high laser power and high repetition rate, compared to ∼10−15% reductions in LH2 Neu /LH2 Spher /LH2 Lyco and minimal lifetime change in LH2 Spir . In LH2 Zeta , the fastest decay component (<50 ps) became prominent at high repetition rates, consistent with strong singlet−triplet annihilation. Nanosecond TA measurements revealed long-lived (>40 μs) BChl triplet states in LH2 Zeta and signs of damage caused by singlet oxygen, whereas other LH2s showed faster triplet quenching (∼18 ns) by Cars. These findings highlight a key design principle of LH2 complexes: the Car triplet energy must be significantly lower than the BChl triplet energy to efficiently quench BChl triplets that otherwise act as potent “trap states,” causing exciton annihilation in laser-based experiments or photodamage in native membranes.

Absorption↗
DOE OSTI2025

Coupled Thermo-Hydrological-Mechanical-Chemical Behavior of Anisotropic Granite for Geologic Disposal of High-Level Radioactive Waste: A Core-Scale Laboratory Investigation

The coupled thermo-hydrological-mechanical-chemical (THMC) behavior of rock within an Excavation Damaged Zone (EDZ) is critical for the safety and long-term performance of a geological repository for high-level radioactive wastes. While many laboratory experiments have been conducted to investigate EDZ rocks, the flow and deformation characteristics resulting from anisotropic rock textures and microcrack distribution under triaxial loading and elevated temperatures remain poorly understood. Particularly, cracks at various scales serve as fast paths for fluid flow and solute transport and present as focal points of mechanical weakness, which complicate the coupled THMC processes in anisotropic EDZ rocks and challenge modeling predictions. Here, in this study, a series of core-scale experiments was conducted on three granite samples under repository-relevant conditions. These rock samples were obtained from the Grimsel Underground Research Laboratory (URL), featured by anisotropic minerals (represented by bedding layers) and microcrack distributions and coarse cm-scale grain sizes. During the experiments, samples were subjected to an elevated temperature at 90 °C and different triaxial loading conditions either by radial (normal to bedding layers) or axial (parallel to bedding layers) compaction. Water was injected into the samples, and the rock permeability evolutions and effluent water chemistry were monitored closely. For intact samples, thermal expansion of minerals at 90 °C resulted in a large, 75% irreversible permeability reduction and rock strengthening under radial compaction, while thermal impact was limited to a 15% permeability reduction under axial compaction. In contrast, for a sample containing open cracks, the growth of fractures during the experiment resulted in an abrupt permeability increase and fast failure at 90 °C. The effluent water chemistry indicates much more considerable mineral dissolution from large shear sliding than that in rocks dominated by mechanical compaction. These results helped better understand the coupled THMC processes in anisotropic rocks containing cracks, evaluate the behaviors of EDZ rocks, and predict the long-term evolution of EDZ for the performance of the repositories.

Coupled THMC processes↗
DOE OSTI2024

Scalable Thin Light-Emitting Diode (LED) Light Sheet Platform

The goal of the Scalable Thin Light-Emitting Diode (LED) Light Sheet Platform project is to derisk the manufacturing scalability for a high chip count heterogeneous smart lighting platform, with the potential to enable significant energy savings through dynamic directional light control and custom. Specifically, the project derisks the scalability of a disruptive new computer controlled microassembly fabrication process SRI International is developing, to address fundamental cost barriers to mass production of high chip count systems. This is key for enabling mass adoption and thus maximum societal energy savings impact. The LED light sheet technology is a smart illumination platform that can be applied to lighting, signage, and display. It has features and a form factor similar to bendable or conformal OLED light sheets but uses more efficient LEDs with a remote phosphor layer that is very close to the LED to deliver a luminous efficacy that exceeds 125 lumen/Watt and enable > 50% Lighting Application Efficiency (LAE) energy savings. During Budget Period 1 (BP1), all of the BP1 milestones were successfully completed: (M2.0.1) Design demonstrator details that will meet the final project goals, (M6.1.1) Show lighting output model can predict illuminance, spatial, spectral distribution for specific light-sheet designs and use case, (M3.2.1) Automated loading supports 200 chip arrays, and (M3.3.1) Finish first interconnect process run for 200 chip array. The BP1 Go/No-Go Decision Point (G/NG 1) 200 chip demonstrator sample was in the process of final assembly and test at the end of BP1 on December 31, 2023. The objective was successfully achieved on January 16, 2024, when a wired 200-chip sample underwent confirmation testing that demonstrated a 93.75% first pass electrical yield that successfully exceeded the 75% first-pass electrical yield BP1 G/NG requirement. In addition, all 93.75% of the sample devices lit up, further demonstrating the ability to assemble and transfer small LED chips without damaging their functionality.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

A derecho climatology (2004–2021) in the United States based on machine learning identification of bow echoes

Due to their persistent widespread severe winds, derechos pose significant threats to human safety and property, with impacts comparable to many tornadoes and hurricanes. Yet, automated detection of derechos remains challenging due to the absence of spatiotemporally continuous observations and the complex criteria employed to define the phenomenon. This study presents an objective derecho detection approach capable of automatically identifying derechos through both observations and model results. The approach is grounded in a physically based definition of derechos and integrates three algorithms: (1) the Python Flexible Object Tracker (PyFLEXTRKR) algorithm to track mesoscale convective systems (MCSs), (2) a semantic segmentation convolutional neural network to identify bow echoes, and (3) a comprehensive classification algorithm to detect derechos within MCS life cycles and distinguish derecho-producing from non-derecho-producing MCSs. Using this approach, we developed a novel high-resolution (4 km and hourly) observational dataset of derechos and accompanying derecho-producing MCSs over the United States east of the Rocky Mountains from 2004 to 2021. The dataset consists of two subsets based on different gust speed data sources and is analyzed to document the climatology of derechos in the United States. On average, 12–15 derechos are identified per year, aligning with previous estimations (∼6–21 events annually). The spatial distribution and seasonal variation patterns are consistent with prior studies, showing peak occurrences in the Great Plains and the Midwest during the warm season. Additionally, during the study period, derechos account for approximately 3.1 % of measured damaging gusts (≥25.93 m s−1) over the eastern United States. The dataset is publicly available at https://doi.org/10.5281/zenodo.14835362 (Li et al., 2025).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A machine learning approach to quantify degradation of nuclear fuels and the effects of fission products

Nuclear fuel performance is critically dependent on understanding the evolution of fuel properties under operational conditions, a complex challenge driven by chemical changes and substantial radiation damage during fission. Traditionally, property evolution has been determined via empirical data collected following irradiation. However, these empirical correlations are limited in their applicability beyond the specific conditions in which they were obtained. This study explores a novel approach to address this challenge by applying materials informatics to develop a machine learning random forest (ML-RF) model that captures the effects of fission products on fuel compounds. The model predicts formation enthalpy (ΔH f ) by leveraging extensive quantum materials property data and correlating it with material descriptors such as composition, atomic and site features, and crystal lattice properties. This ML-RF model enables rapid interpolation across the compositional and structural spaces covered by the training data, thus supporting high-throughput screening and energetic ranking of candidate phases. The model demonstrates the ability to predict ΔH f with a mean absolute error (MAE) of approximately 0.1 to 0.2 eV/atom across a wide range of compounds, including key nuclear fuel systems (U-O, U-N, U-C, U-Si, and U-Mo). For example, it was used to assess shifts in stoichiometry for UO 2 (O/M) and UN (N/M) fuels, revealing their distinct tendencies in chemical potential variation and enabling preliminary convex hull analyses. Furthermore, the model provides insights into how individual fission products affect fuel properties. Results indicate that larger fission products (e.g., Nd, Pu, Ce) have a more pronounced impact on UO 2 , while lighter ones (e.g., Zr) strongly influence UN. Here, the model developed in this work can be used to support the Accelerated Fuel Qualification approach by facilitating preliminary evaluations prior to extensive materials modeling and experimentation. To this end, the trained model has been made available to the fuel community to support ongoing fuel development efforts.

Accelerated fuel qualification↗
DOE OSTI2025

Transcript profiling of plastid ferrochelatase two mutants reveals that chloroplast singlet oxygen signals lead to global changes in RNA profiles and are mediated by Plant U-Box 4

Abstract Background In response to environmental stresses, chloroplasts generate reactive oxygen species, including singlet oxygen ( 1 O 2 ), an excited state of oxygen that regulates chloroplast-to-nucleus (retrograde) signaling, chloroplast turnover, and programmed cell death (PCD). Yet, the central signaling mechanisms and downstream responses remain poorly understood. TheArabidopsis thaliana plastid ferrochelatase two(fc2) mutant conditionally accumulates 1 O 2 , and Plant U-Box 4 (PUB4), a cytoplasmic E3 ubiquitin ligase, is involved in propagating 1 O 2 signals for chloroplast turnover and cellular degradation. Thus, thefc2andfc2 pub4mutants are useful genetic tools to elucidate these signaling pathways. Previous studies have focused on the role of 1 O 2 in promoting cellular degradation infc2mutants, but its impact on retrograde signaling from mature chloroplasts (the major site of 1 O 2 production) is poorly understood. Results To gain mechanistic insights into 1 O 2 signaling pathways, we compared transcriptomes of adult wt,fc2, andfc2 pub4plants. The accumulation of 1 O 2 infc2plants broadly repressed genes involved in chloroplast function and photosynthesis, while inducing genes and transcription factors involved in abiotic and biotic stress, the biosynthesis of jasmonic acid (JA) and salicylic acid (SA), microautophagy, and senescence. Elevated JA and SA levels were observed in 1 O 2 -stressedfc2plants.pub4reversed most of this 1 O 2 -induced gene expression and reduced the JA content infc2plants. Thepub4mutation also blocked JA-induced senescence pathways in the dark. However, fc2 pub4 plantsmaintained constitutively elevated levels of SA even in the absence of bulk 1 O 2 accumulation. Conclusions Together, this work demonstrates that infc2plants, 1 O 2 leads to a robust retrograde signal that may protect cells by downregulating photosynthesis and ROS production while simultaneously mounting a stress response involving SA and JA. The induction of microautophagy and senescence pathways indicate that 1 O 2 -induced cellular degradation is a genetic response to this stress, and the bulk of this transcriptional response is modulated by the PUB4 protein. However, the effect ofpub4on hormone synthesis and signaling is complex and indicates that an intricate interplay of SA and JA are involved in promoting stress responses and programmed cell death during photo-oxidative damage.

Plant Sciences↗
DOE OSTI2024

Synthesis of results for Brine Availability Test in Salt (BATS) DECOVALEX-2023 Task E

In the 2023 phase of the international collaborative DECOVALEX modeling project, Task E focused on understanding thermal, hydrological, and mechanical (THM) processes related to predicting brine migration in the excavation damaged zone around a heated excavation in salt. Salt is attractive as a disposal medium for radioactive waste because it is self-healing and is essentially impermeable and non-porous in the far field. Investigation of the short-term, near-field behavior is important for radioactive waste disposal because this early period strongly controls the amount of inflowing brine. Brine leads to corrosion of waste forms and waste packages, and possible dissolution of radionuclides with brine transport being a potential transport vector to the accessible environment.The Task was divided into steps. Step 0 included matching unheated brine inflow data from boreholes at the Waste Isolation Pilot Plant (WIPP) and matching temperature observations during a Brine Availability Test in Salt (BATS) heater test. Step 1 included validation of models against a thermo-poroelastic analytical solution, and two-phase flow around an excavation. Finally, Step 2 required all the individual components covered in steps 0 and 1 to come together to match observed brine inflow behavior during the same BATS heater test.There were a range of approaches from the teams, from mechanistic to prescriptive. Given the uncertainties in the problem, some teams used one- or two-dimensional models of the processes, while other teams included more geometrical complexity in three-dimensional models. Task E was a learning experience for the teams involved, and feedback from the modeling teams has led to changes in follow-on BATS experiments at WIPP. The primary Task E lessons learned were the impact of hydrologic initialization methods (wetting up vs. drying down), the difference between confined and unconfined thermal expansion, and the large changes in permeability associated with heating and cooling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Impact of Vegetation Assimilation on Flash Drought Characteristics across the Continental United States

Predicting and managing the impacts of flash droughts is difficult owing to their rapid onset and intensification. Flash drought monitoring often relies on assessing changes in root-zone soil moisture. However, the lack of widespread soil moisture measurements means that flash drought assessments often use process-based model data like that from the North American Land Data Assimilation System (NLDAS). Such reliance opens flash drought assessment to model biases, particularly from vegetation processes. Here, we examine the influence of vegetation on NLDAS-simulated flash drought characteristics by comparing two experiments covering 1981–2017: open loop (OL), which uses NLDAS surface meteorological forcing to drive a land surface model using prognostic vegetation, and data assimilation (DA), which instead assimilates near-real-time satellite-derived leaf area index (LAI) into the land surface model. The OL simulation consistently underestimates LAI across the United States, causing relatively high soil moisture values. Both experiments produce similar geographic patterns of flash droughts, but OL produces shorter duration events and regional trends in flash drought occurrence that are sometimes opposite to those in DA. Across the Midwest and Southern United States, flash droughts are 4 weeks (about 70%) longer on average in DA than OL. Moreover, across much of the Great Plains, flash drought occurrence has trended upward according to the DA experiment, opposite to the trend in OL. This sensitivity of flash drought to the representation of vegetation suggests that representing plants with greater fidelity could aid in monitoring flash droughts and improve the prediction of flash drought transitions to more persistent and damaging long-term droughts.

Drought↗
DOE OSTI2025

Identification of contamination in the pulse-compression chamber of the OMEGA EP Laser System originating from clean room garments

The contamination of optical components with microscopic particles strongly impacts their ability to handle high-power or high-intensity laser pulses via an array of mechanisms. This work explores the nature and origin of a subset of contamination particles found inside the pulse-compression chamber of the OMEGA EP Laser System. Using Raman microscopy accompanied by other analytical methods, it was shown that sodium nitrate constitutes a significant fraction of the particles that possess diameters on the order of a few micrometers. Further investigation aiming to reveal the origin of these particles suggests that these sodium nitrate particles are deposited via shedding from the reusable clean room garments worn in the Laser Bay and compression chamber. Raman microscopy also revealed various plastic particles such as polystyrene, polyethylene, and poly(diallyl isophthalate).

Raman spectroscopy↗
DOE OSTI2024

Anthropogenic effects on flood hazards in a hyper-arid watershed: The 2015 Atacama floods

An unprecedented precipitation event in the hyper-arid Atacama Desert of Northern Chile occurred in March 2015. Geomorphic alterations to the river channel and the coastal zone, coupled with the exceptional magnitude of the rainfall, caused catastrophic damage and loss of life. On the coast of the El Salado watershed, legacy mine tailings infilled the watershed-ocean connection, while the river channel was altered both by tailings and urbanization. The consequences of this event resulted from the coupling of anthropogenic geomorphic changes with an unusual climate event. Lack of field data, complex geomorphology and sediment loads influenced by human activity make analysing floods in these regions especially challenging. The objective of this work is to improve our understanding of the factors that control flood hazards by using numerical simulations to reconstruct the 2015 flood in El Salado. We carry out unsteady two-dimensional simulations fully coupled with the sediment concentration to identify the influence of tailing deposits, considering high-resolution data of the pre- and post-2015 flood topography. In conclusion, the results highlight the importance of specific event-based studies, using models that can help designing better strategies for climate change adaptation and risk mitigation, while providing information for risk reduction and channel restoration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Designing a repository in domal salt: The influence of design variants in different modelling environments

To understand the long-term environmental impact of disposing radioactive waste of in a deep geological repository and to optimise its design, performance assessments are used. In this study, four teams (COVRA, GRS, Quintessa, and DOE) modified the previously developed generic repository of DECOVALEX task F2 to identify commonalities and differences between the teams for specific changes in repository design. The teams tested six design modifications: (1) Replacing concrete abutments with run-of-mine salt; (2) Replacing the salt seal with a concrete abutment and using run-of-mine salt instead for the two concrete abutments in each drift seal; (3) Halving the size of the infrastructure area; (4) Using run-of-mine salt instead of gravel for backfilling the infrastructure area; (5) Disposal of spent nuclear fuel without the POLLUX-10 containers (6); Lower initial saturation of the spent nuclear fuel and vitrified waste disposal drifts. Despite different modelling strategies used, models agreed that a smaller infrastructure area has a limited effect on radionuclide transport. Responses to the absence of the two concrete abutments in each seal, the use of single large concrete abutments (200 m each), or the use of run-of-mine salt in the infrastructure area differ between teams due to differing modelling assumptions. Based on these results, the estimated efficacy of containment depends strongly on the model assumptions of each team. More specifically, it appears to depend on the compaction model used and therefore on the backfill material used in different areas of the repository. However, the drift seal appears to be a critical design element in all models, effectively limiting radionuclide transport by hydrologically disconnecting sections of the repository. Additional beneficial design choices include the use of dry salt in disposal drifts to limit radionuclide transport and reducing the infrastructure area costs and minimizing host rock damage.

DECOVALEX↗
DOE OSTI2025

A Near-Real-Time Model for Predicting Electricity Disruptions in Texas During Winter Storms

There has been an increase in extreme weather events, posing a threat to power grid systems, potentially influenced by factors such as population growth, changes in ecosystems, land cover, and land use in the service area, as well as the growth of certain vegetation types. This research seeks to develop a predictive model to mitigate potential damages caused by future winter storms. This research utilizes the Light Gradient Boosting Machine (LightGBM), incorporating the number of power outages experienced at the county level, geographic details, weather information, and lagged outage and lagged weather data. The developed models were broadly divided into two groups, with six models in each group - one group without optimization and another with optimization, totaling 12 trained models. For model optimization, Bayesian optimization was employed using Root Mean Squared Error (RMSE) as the objective function. In results, when comparing Group 2 (the optimized group) with Group 1 (the non-optimized group), it was found that optimization did not always lead to a reduction in RMSE and Mean Absolute Error (MAE). However, in terms of Mean Directional Accuracy (MDA), while all results in Group 1 were below the baseline accuracy of 0.33, all results in Group 2 exceeded 0.33, with some cases showing an increase of more than three times the baseline. The results indicated that, in the optimized model group, Population and Pressure were the most influential factors when using current weather data and geographical information. When using lagged data, lagged recorded outages and lagged Pressure emerged as the most significant factors. Among the 12 developed models, the L-1-2-O model showed the lowest RMSE and MAE, as well as the highest accuracy, with values of 390.62 households and 168.13 households, respectively. To normalize the RMSE and MAE values, each metric was divided by the average number of households among the counties in Texas. For the L-1-2-O model, the scaled RMSE was 0.88% and the scaled MAE was 0.38%. In terms of MDA, which indicates the accuracy of the prediction direction, the L-1-O model achieved the highest score of 0.41. Although this study focused on Texas, which suffered the greatest impact from the winter storms in 2021, with additional validation, the methodology used in this research could be applied to other regions.

Lee, Jangjae [Texas A & M Univ., College Station, ↗
DOE OSTI2025

Micro-structural features and material properties impact on adhesive metal joints via computational modeling and machine learning

The quality of structural bonding in practical applications depends on various factors arising from materials, pre-processing conditions, and manufacturing. Understanding how these factors influence bonding performance and determining their relative importance are of significant interest. Thus, this study evaluates the effects of microstructural features and material properties on the structural strength of adhesively-bonded metal joints at the submillimeter scale, utilizing a combination of Finite Element Modeling (FEM) and Machine Learning (ML) with Gradient Boosting Regression (GBR). The microstructural features include adhesive thickness, internal voids within the adhesive, adherend-adhesive interfacial voids, void size and volume fraction, and surface roughness. The material properties include the constitutive behavior of the adhesive, as well as the adherend-adhesive interfacial strength and fracture energy. The changes in structural strength and morphologies of the bonded metal structures with respect to different microstructural features and material properties were clarified by FEM. By further leveraging ML-GBR, the sequence of importance of these factors affecting bonding performance across various scenarios was summarized. This work provides valuable insights into the development of improved structural bonding for adhesive joints in industries such as automotive , aerospace, and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Microstructural evolution and hardness changes in ion irradiated nickel-based Haynes 282 superalloy

This study investigated the crucial aspects of thermal and irradiation stability in precipitation hardened Haynes 282 Ni-based superalloy. The Haynes 282 Ni-based alloy was irradiated by 8 MeV Ni 3+ ions to assess its resistance to phase instabilities and mechanical property alterations. The mid-range doses (at a depth of ∼1 µm) were 1 and 10 displacements per atom (dpa) at temperatures of 600°C and 750°C. Nanoindentation tests provided insights into bulk equivalent hardness of the irradiated and pristine regions, while scanning transmission electron microscopy (STEM) and energy dispersive X-ray spectroscopy (EDS) were used to examine the microstructural evolution of irradiation-induced defects and γ′ -Ni 3 (Al, Ti) precipitates and defect structure under irradiation. These precipitates, with an average diameter of 29 nm and a number density of 5 x 10 21 /m 3 , acted as robust dispersion strengthening agents with high radiation point defect sink strength. Remarkably, irradiation did not significantly alter the size or number density of the γ′ precipitates, indicating exceptional thermal stability and radiation resistance of these precipitates at the examined conditions. Radiation-induced dislocation loops were observed at 600°C, albeit without a substantial impact on mechanical properties due to the dominance of γ′ precipitates on the overall alloy strength. The superior stability of γ′ precipitates observed in this study contrasts with several previous research findings on Ni-based alloys that reported poor precipitate stability. Plausible reasons for this difference are discussed. Moreover, this work explicitly outlines a physically grounded approach to ensure accurate microstructure-hardness correlations and clarifies the hardening model by addressing common misapplications of superposition in prior studies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effects of electron beam irradiation on CrMnV and CrMnTiV high entropy alloys: Nano-mechanical, structural, and thermodynamic perspectives

Beam exit windows are crucial components of any particle accelerator as they provide an interface between the beamline vacuum and target material at atmospheric media. For high beam power machines, special materials and designs are required to withstand high radiation and mechanical loads, while minimizing energy loss during transition and maximizing window lifetime. This research investigates the impact of electron beam exposure to bulk CrMnV and CrMnTiV high entropy alloys (HEAs) with the primary goal of identifying suitable candidate materials for the design of robust and durable exit window settings. The selection criteria include intrinsic characteristics, power dissipation, and mechanical responses. According to the thermodynamic calculations, both equiatomic CrMnV and the addition of 7% of Ti with equiatomic CrMnV yield solid-solutions phases. The structural and mechanical properties of CrMnV and CrMnTiV samples were tested using field emission scanning electron microscopy, atomic force microscopy, scanning electron microcopy with energy dispersive x-ray spectroscopy, x-ray diffraction, and nanoindentation before and after exposure to a dose of ~66 kGy from a 10 MeV e-beam accelerator. Despite exhibiting beam transmission characteristics comparable to Cr and V, the indentation hardness of HEAs exceeded that of the Cr and V samples by five to six times. The examination of the CrMnTiV irradiated samples revealed organized deformation patterns depicting new features, which we suspect twinning and twin boundaries due to the addition of Ti to CrMnV. Ti, a hexagonal-close-packed crystal structure, is commonly known for deformation twinning behavior.

36 MATERIALS SCIENCE↗