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At least 127 records · Page 7

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DOE OSTI2026

Electron beam irradiation effects on bulk metals: a comparative study of polycrystalline versus single-crystalline structures

This study investigates the effects of electron beam (e-beam) irradiation on the mechanical and structural properties of eight bulk metallic samples, comprising both polycrystalline (PC) and single-crystalline (SC) forms of Ni, Cr, V, and Ti. These metals were evaluated as potential candidates for beam exit windows in high-power (MW-class) particle accelerators. The primary objective is to identify metals capable of withstanding the conditions of high-power/MW-class e-beam accelerators and serve effectively as exit windows. Selection criteria were based on each metal’s intrinsic properties, power dissipation capability, and irradiation-induced changes in mechanical behavior, including hardness, elastic modulus, and defect density. Comprehensive characterization was conducted using field-emission scanning electron microscopy (FESEM), atomic force microscopy (AFM), scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM–EDS), X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), and nanoindentation, performed both before and after exposure to a ~¿66 kGy dose from a 10 MeV e-beam accelerator. Results revealed that e-beam irradiation induced hardening in PC Ni, whereas PC Ti, commonly used in beam exit windows, exhibited softening. The observed softening in PC Ti is attributed to grain coarsening, elongation, and the formation of twins and twin boundaries, in contrast to the smaller, compressed grains in the pristine (Pr) PC Ti samples, consistent with the Hall–Petch relationship. The stresses due to twinning are small and insignificant in influencing the overall hardening of the PC Ti irradiated sample when compared to the stresses due to the dislocation density. Conversely, SC Ti samples exhibited irradiation-induced hardening. The SC Ti irradiated samples developed additional irradiation-induced modifications in crystallographic texture of (100), (101), (110), (200), (112), (004), and (211) as evidenced from the XRD results, which could probably explain the hardening effect that is caused by irradiation.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Divide and conquer: Learning chaotic dynamical systems with multistep penalty neural ordinary differential equations

Forecasting high-dimensional dynamical systems is a fundamental challenge in various fields, such as geosciences and engineering. Neural Ordinary Differential Equations (NODEs), which combine the power of neural networks and numerical solvers, have emerged as a promising algorithm for forecasting complex nonlinear dynamical systems. However, classical techniques used for NODE training are ineffective for learning chaotic dynamical systems. In this work, we propose a novel NODE-training approach that allows for robust learning of chaotic dynamical systems. Here, our method addresses the challenges of non-convexity and exploding gradients associated with underlying chaotic dynamics. Training data trajectories from such systems are split into multiple, non-overlapping time windows. In addition to the deviation from the training data, the optimization loss term further penalizes the discontinuities of the predicted trajectory between the time windows. The window size is selected based on the fastest Lyapunov time scale of the system. Multi-step penalty(MP) method is first demonstrated on Lorenz equation, to illustrate how it improves the loss landscape and thereby accelerates the optimization convergence. MP method can optimize chaotic systems in a manner similar to least-squares shadowing with significantly lower computational costs. Our proposed algorithm, denoted the Multistep Penalty NODE, is applied to chaotic systems such as the Kuramoto-Sivashinsky equation, the two-dimensional Kolmogorov flow, and ERA5 reanalysis data for the atmosphere. It is observed that MP-NODE provide viable performance for such chaotic systems, not only for short-term trajectory predictions but also for invariant statistics that are hallmarks of the chaotic nature of these dynamics.

Chaotic dynamical systems↗

DOE OSTI2026

Local reduced-order modeling for electrostatic plasmas by physics-informed solution manifold decomposition

Despite advancements in high-performance computing and modern numerical algorithms, computational cost remains prohibitive for multi-query kinetic plasma simulations. Here, in this work, we develop data-driven reduced-order models (ROMs) for collisionless electrostatic plasma dynamics, based on the kinetic Vlasov-Poisson equation. Our ROM approach projects the equation onto a linear subspace defined by the proper orthogonal decomposition (POD) modes. We introduce an efficient tensorial method to update the nonlinear term using a precomputed third-order tensor. We capture multiscale behavior with a minimal number of POD modes by decomposing the solution manifold into multiple time windows and creating temporally local ROMs. We consider two strategies for decomposition: one based on the physical time and the other based on the electric field energy. Applied to the 1D1V Vlasov–Poisson simulations, that is, prescribed E-field, Landau damping, and two-stream instability, we demonstrate that our ROMs accurately capture the total energy of the system both for parametric and time extrapolation cases. The temporally local ROMs are more efficient and accurate than the single ROM. In addition, in the two-stream instability case, we show that the energy-windowing reduced-order model (EW-ROM) is more efficient and accurate than the time-windowing reduced-order model (TW-ROM). With the tensorial approach, EW-ROM solves the equation approximately 90 times faster than Eulerian simulations while maintaining a maximum relative error of 7.5% for the training data and 11% for the testing data.

Electrostatic plasmas↗

DOE OSTI2025

Hadronic Vacuum Polarization for the Muon 𝑔 − 2 from Lattice QCD: Long-Distance and Full Light-Quark Connected Contribution

We present results for the dominant light-quark connected contribution to the long-distance window of the hadronic vacuum polarization (HVP) contribution to the muon 𝑔 − 2 from lattice quantum chromodynamics. Specifically, with a new determination of the lattice scale on MILC’s physical-mass HISQ ensembles, using the Ω− baryon mass, we obtain a result of 𝑎$^{𝑙⁢𝑙,LD}_{𝜇}$⁡(conn) = 400.2⁢(2.3) stat ⁢(3.7) syst ⁢[4.3] total × 10 −10 . Summing this result with our recent determinations of the light-quark connected contributions to the short- and intermediate-distance windows, we obtain a subpercent precision determination of the light-quark-connected contribution to HVP of 𝑎$^{𝑙⁢𝑙}_{𝜇}$⁡(conn) = 655.2⁢(2.3) stat ⁢(3.9) syst ⁢[4.5]total×10 −10 . Finally, as a consistency check, we verify that an independent analysis of the full contribution is in agreement with the sum of individual windows. We discuss our future plans for improvements of our HVP calculations to meet the target precision of the Fermilab 𝑔 − 2 experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Direct estimation of the density of states for fermionic systems

Simulating time evolution is one of the most natural applications of quantum computers and is thus one of the most promising prospects for achieving practical quantum advantage. Here, we develop quantum algorithms to extract thermodynamic properties by estimating the density of states (DOS), which is a central object in quantum statistical mechanics. We introduce several key innovations that significantly improve the practicality and extend the generality of previous techniques. First, our approach allows one to estimate the DOS only for a specific subspace of the full Hilbert space. This is crucial for fermionic systems, since both canonical and grand canonical ensemble thermal equilibrium properties depend on subspaces of fixed number. Second, in our approach, by time evolving very simple, random initial states, such as randomly chosen computational basis states, we can exactly recover the DOS on average. Third, due to circuit-depth limitations, we only reconstruct the DOS up to a convolution with a Gaussian window—thus all imperfections that shift the energy levels by less than the width of the convolution window will not significantly affect the estimated DOS. For these reasons, we find the approach is a promising candidate for early quantum advantage as even short-time, noisy dynamics can yield a semiquantitative reconstruction of the DOS (convolution with a broad Gaussian window), while early fault-tolerant devices will likely enable higher-resolution DOS reconstruction through longer time evolutions. We demonstrate the practicality of our approach in representative Fermi-Hubbard and spin models and indeed find that our approach is highly robust against algorithmic errors in the time evolution and against gate noise. We further demonstrate that our approach is compatible with noisy intermediate-scale quantum (NISQ) computing NISQ-friendly variational techniques, introducing and leveraging a technique for variational time evolution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

PDPTW-DB: MILP-Based Offline Route Planning for PDPTW with Driver Breaks

The Pickup and Delivery Problem with Time Windows (PDPTW) involves optimizing routes for vehicles to meet pickup and delivery requests within specific time constraints, a challenge commonly faced in logistics and transportation. Microtransit, a flexible and demand-responsive service using smaller vehicles within defined zones, can be effectively modeled as a PDPTW. Yet, the need for driver breaks—a key human constraint—is frequently overlooked in PDPTW solutions, despite being necessary for regulatory compliance. This study presents a novel mixed-integer linear programming formulation for the Pickup and Delivery Problem with Time Windows and Driver Breaks (PDPTW-DB). To the best of our knowledge this formulation is the first to consider mandatory periodic driver breaks within optimized Microtransit routes. The proposed model incorporates regulatory compliant break scheduling directly within the vehicle routing optimization framework. By considering driver break requirements as an integral component of the optimization process, rather than as a post-processing step, the model enables the generation of routes that respect hours of service regulations while minimizing operational costs. This integrated approach facilitates the generation of schedules that are operationally efficient and prioritize driver welfare through driver breaks. We work with a public transit agency from the southern USA, and highlight the specific nuances of driver break optimization, and present a Pickup and Delivery Problem with Time Windows formulation for optimizing Microtransit operations and scheduling driver breaks. We validate our approach using real-world data from the transit agency. Our results validate our formulation in producing cost-effective, and regulation-compliant solutions.

Applied Computing, Transportation↗

DOE OSTI2025

User-based I/O Profiling for Leadership Scale HPC Workloads

I/O constitutes a significant portion of most of the application run-time. Spawning many such applications concurrently on an HPC system leads to severe I/O contention. Thus, understanding and subsequently reducing I/O contention induced by such multi-tenancy is critical for the efficient and reliable performance of the HPC system. In this study, we demonstrate that an application’s performance is influenced by the command line arguments passed to the job submission. We model an application’s I/O behavior based on two factors: past I/O behavior within a time window and user-configured I/O settings via command-line arguments. We conclude that I/O patterns for well-known HPC applications like E3SM and LAMMP are predictable, with an average uncertainty below 0.25 (A probability of 80%) and near zero (A probability of 100%) within a day. However, I/O pattern variance increases as the study time window lengthens. Additionally, we show that for 38 users and at least 50 applications constituting approximately 93000 job submissions, there is a high correlation between a submitted command line and the past command lines made within 1 to 10 days submitted by the user. We claim the length of this time window is unique per user.

Yazdani, Ahmad Hossein [Virginia Tech, Blacksburg]↗

DOE OSTI2024

End-Use Savings Shapes Measure Documentation: Dispatch Schedule Generation for Demand Flexibility Measures

This supplemental document describes the methodology used for determining the dispatch timing of various EUSS demand flexibility measures. Demand flexibility measures are designed to reduce/dispatch electricity demand in buildings during especially beneficial/critical times. The method used in this work utilizes predictions of building loads to generate a schedule that reflects the periods when the building's daily peak load occurs to support decision making in demand flexibility measures. The dispatch schedule generation method described in this document creates an hourly schedule that includes a load dispatch (peak) window for each day for a whole year based on load prediction, with options using different prediction methods: perfect prediction, bin-sampling method, fixed schedule, and outdoor air temperature (OAT)-based prediction method. The perfect prediction method performs a simulation to obtain the annual load profile as predicted load, representing the scenario of perfect load prediction. The bin-sampling method (1) categorizes days into representative bins by temperature characteristics, (2) performs simulations on sample days from each of those bins to create representative (or predicted) load, and (3) assigns representative loads for all days in a year based on the bin categorization. The fixed schedule method defines uniform start and end time of peak window with assumed fixed daily peak time, for all days in a season or a year. The OAT-based prediction method uses the statistics of OAT (minimum and maximum) as the indicators of peak load, with specified delay response time from building loads to temperature. Given the load prediction, daily peak periods are determined as a time window with specified length in each day that include the predicted daily peak load and with a secondary rule such as maximizing energy saving potential. The dispatch schedule generation method is not a standalone measure and is intended to be combined with other demand flexibility measures that could leverage the peak schedule and apply demand controls on specific systems or devices for demand response, such as measures described in "Measure Documentation - Thermostat Control for Load Shedding" and "Measure Documentation - Thermostat Control for Load Shifting".

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Predicting Selective Laser Printing Print Quality of Polymer Powders through Melt Flow Index

Selective Laser Sintering (SLS) uses a precisely controlled laser to fuse polymer powder to build complex 3D shapes. While SLS covers a wide application space, the processing knowledge of polymer powder is limited, restricting the number of commercial powders available. This study serves to expand the processing knowledge of polypropylene and polyethylene in parallel with a “mature” SLS feedstock, nylon, through melt flow index (MFI) characterization. Differential Scanning Calorimetry (DSC) was used to explore the sintering window of the polymers. Polyethylene and polypropylene exhibited a relatively narrow sintering window between 4 – 5 °C, whereas the sintering window of nylon was much wider, between 23 – 24 °C. This suggests that the print quality between polyethylene and polypropylene would be similar; however, X-ray computed tomography revealed a higher volume of print defects, voids, and de lamination in polyethylene than in polypropylene. MFI analysis provided additional insight into the difference in print quality, as the MFI of polyethylene was 7.16 g/10 min, 9.95 g/10 min for polypropylene, and 17.23 g/10 min for nylon. MFI is inversely correlated to melt viscosity, and a low melt viscosity is desired for proper coalescing between the layers and particles. These results suggest that MFI is a promising tool, in conjunction with traditional thermal analysis, for screening candidate powder feedstocks for SLS and optimization of print parameters for novel powders.

36 MATERIALS SCIENCE↗

DOE OSTI2025

ComStock Measure Documentation: Lighting Control for Load Shedding

This report describes the modeling methodology for a single end-use savings shape measure - lighting control for load shedding - and briefly introduces key results. The lighting control for load shedding measure applies lighting dimming control to reduce the lighting load during the building's electricity peak window every weekday. The measure takes daily peak load schedule inputs generated by the method "Dispatch Schedule Generation" described in the "Supplemental Documentation: Dispatch Schedule Generation for Demand Flexibility Measures" to determine the start and end times of the predicted peak window, and then adjusts the lighting dimming level by a percentage reduction from the original schedules during the peak window to reduce the peak demand. The measure is applicable to (large, medium and small) offices, warehouses, and primary and secondary schools, which correspond to approximately 68% of the stock floor area of commercial buildings in ComStock analysis. The measure demonstrates 2%-7% daily peak demand reduction performance for applicable buildings, and 0.43% total site energy savings (0 trillion British thermal units [TBtu]) for the U.S. commercial building stock modeled in ComStock.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

ComStock Measure Documentation: Thermostat and Lighting Control for Load Shedding

This report describes the modeling methodology for an upgrade package of two end-use savings shape measures - Thermostat Control for Load Shedding and Lighting Control for Load Shedding - and briefly introduces key results. The package combines thermostat control for load shedding and lighting control for load shedding measures to reduce the HVAC and lighting load during the building's electricity peak window every weekday. The measure takes daily peak load schedule inputs generated by the method "Dispatch Schedule Generation" described in the "Supplemental Documentation: Dispatch Schedule Generation for Demand Flexibility Measures" to determine the start and end times of the predicted peak window, and then relaxes the thermostat setpoints and dims the lighting level from the original schedules during the peak window to reduce the peak demand. The measure is applicable to (large, medium and small) offices, warehouses, and primary and secondary schools, which correspond to approximately 68% of the stock floor area of commercial buildings in ComStock analysis. The measure demonstrates 3%-10% daily peak demand reduction performance for applicable buildings, and 0.97% total site energy savings (0 trillion British thermal units [TBtu]) for the U.S. commercial building stock modeled in ComStock.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

ComStock Measure Documentation: Thermostat and Lighting Control for Load Shedding + Photovoltaics With 40% Rooftop Coverage

This report describes the modeling methodology for an upgrade package of two end-use savings shape measures - Thermostat Control for Load Shedding and Lighting Control for Load Shedding - and briefly introduces key results. The package combines thermostat control for load shedding, lighting control for load shedding, and PV with 40% rooftop coverage measures to reduce the net building load during the building's electricity peak window every weekday. The measure takes daily peak load schedule inputs generated by the method "Dispatch Schedule Generation" described in the "Supplemental Documentation: Dispatch Schedule Generation for Demand Flexibility Measures" to determine the start and end times of the predicted peak window, and then relaxes the thermostat setpoints and dims the lighting level from the original schedules during the peak window to reduce the peak demand, while applying the fixed rooftop PV application for onsite electricity generation. The measure is applicable to (large, medium and small) offices, warehouses, and primary and secondary schools, which correspond to approximately 68% of the stock floor area of commercial buildings in ComStock analysis. The measure demonstrates 5%-15% daily peak demand reduction performance for applicable buildings, and around 1% total site energy savings (0 trillion British thermal units [TBtu]) for the U.S. commercial building stock modeled in ComStock.

14 SOLAR ENERGY↗

DOE OSTI2025

Advanced Fuels Campaign Time-at-Temperature Irradiation Campaign and Post-Irradiation Examination Plan

With increasing per capita energy consumption and rapidly growing energy consumption predicted for data centers, the US faces challenges in meeting projected energy demands. The current administration is attempting to accelerate the deployment of new nuclear construction by providing significant investments in advanced nuclear and by modernizing regulatory approaches for the licensing new reactors. However, enabling extended power uprates (EPUs) for the current nuclear reactor fleet would provide a shorter-term solution to better calibrate near-term energy generation capacity to the ever-growing energy demands of the modern era. One pathway to achieve power uprates is to increase the operational window by reassessing fuel safety limits around anticipated transients. Existing light-water reactors (LWRs) utilize a targeted operational window with well-defined operational efficiencies, yet this window is also often bound by conservative safety limits that result in suboptimal operational performance. For example, the operation of the existing fleet is highly constrained by safeguards to operation related to anticipated operational occurrences (AOOs), which are moderate-frequency transients expected with a frequency greater than 0.01 per reactor-year. These AOOs include temperature excursions where the critical heat flux for the system is exceeded, resulting in a departure from nucleate boiling (DNB) at the cladding surface. This DNB event is a thermohydraulic condition that, with current conservative fuel safety limits, results in the fuel rods being classified as “failed,” meaning that the cladding may not be returned to service.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Advanced Fuels Campaign Time-at-Temperature Irradiation Campaign and Post-Irradiation Examination Plan

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Energy and Comfort Impacts of High Performance Facades in Office Buildings

Building facades have a major effect on energy use, occupant comfort, and well-being. Yet adoption of high-performance facades is often slowed by limited data and unclear cost benefits. To address this gap, Oak Ridge National Laboratory, in collaboration with the Facade Tectonics Institute, conducted whole-building energy simulations to evaluate fenestration technologies for small and medium office buildings across three weather locations: hot (Tampa, Florida, weather zone 2A), mixed (New York, New York, weather zone 4A), and cold (Rochester, Minnesota, weather zone 6A). The simulations included parametric variations in window-to-wall ratio (30%–70%), U-values (0.1–1 Btu/h∙ft 2 ∙°F), solar heat gain coefficients (0.2–0.8), and solar control strategies and devices (e.g., interior shades and switchable glazing). Performance metrics included annual cooling, heating, and total heating, ventilation and air-conditioning (HVAC) energy use intensity, as well as nonenergy factors such as useful daylight illuminance, glare frequency, and thermal comfort during typical office hours (8 a.m.–6 p.m.). Results indicate that cooling energy consumption is most sensitive to solar heat gain coefficient (SHGC) in hot weather, whereas heating energy consumption is strongly influenced by U-value in cold weather. Total HVAC reflects these trade-offs, showing up to 60% difference for a window in total HVAC energy use intensity between different combinations of U-value and SHGC. Daylight dimming generally reduces cooling loads but can increase heating demands in colder locations. Interior solar shades improve useful daylight and reduce discomfort glare, whereas switchable glazing delivers the largest cooling reductions in hot weather but may increase heating loads in winter by limiting passive solar gains. Thermal comfort improves with lower window-to-wall ratios and lower SHGC in hot locations and with lower U-values in cold locations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Limits on the Low-energy Electron Antineutrino Flux from the Brightest Gamma-Ray Burst of All Time

The electron antineutrino flux limits are presented for the brightest gamma-ray burst (GRB) of all time, GRB221009A, over a range of 1.8–200 MeV using the Kamioka Liquid Scintillator Antineutrino Detector. Using multiple time windows ranging from minutes to days surrounding the event to search for electron antineutrinos coincident with the GRB, we set an upper limit on the flux under the assumption of several power-law neutrino source spectra, with power-law indices ranging from 1.5 to 3 in steps of 0.5. No excess was observed in any time windows ranging from seconds to days around the event trigger time T 0 . For a power-law index of 2 and a time window of T 0 ± 500 s, a flux upper limit of 2.34 × 10 9 cm −2 was calculated. The limits are compared to the results presented by IceCube.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Do Flashing and Sealant Materials Need to be Exposed to Extreme Cycling?

In the U.S., over 50% of homes were built before 1980, when minimal building codes existed. The aging of building envelopes can significantly contribute to the air leakage, moisture intrusion, and durability of buildings leading to higher energy demands. Although the durability of building materials and envelope systems has been studied extensively, the durability of specific components like window-wall flashing and sealants remains underexplored. Current standards such as ASTM, NIST, and AAMA primarily focus on durability testing considering the high temperatures only and require sealant testing on anodized aluminum panels, leaving questions about performance in cold or fluctuating temperatures unanswered. Current ASTM and AAMA standards provide guidelines for durability testing but predominantly focus on exposure to higher temperature conditions. It remains unclear how exposure to cold temperatures, or cycles of both hot and cold conditions, affect the durability of these materials. Furthermore, AAMA standards mandate that flashing materials be tested on anodized aluminum panels, which may not reflect real-world applications. Therefore, this initial study aims to explore this concern through testing by constructing two window-wall interface prototypes and applying five different flashing and sealant materials to their joints. These samples were subjected to extreme temperatures, ranging from −34 ℃ (−30 °F) to 50 ℃ (122 °F), over a 28-day period (fourteen cycles of 24 hours), with daily visual inspections to document any signs of deterioration such as wrinkling, distortion, or warping. The study has two main objectives: (1) to determine whether flashing and sealant materials lose their durability and strength when exposed to varying climate conditions, specifically cold climates, and (2) to assess whether the interaction of these materials with different substrates (e.g., lumber, PVC, insulation) affects their durability and strength under varying climate conditions. The findings demonstrate how aging impacts the durability of window-wall systems interfaces, justifying future research that potentially could lead to the development of new testing protocols if significant defects are identified.

Palani, Hevar [ORNL] (ORCID:0000000220211994)↗

DOE OSTI2024

Dew point meter, components thereof, and methods of use thereof

In one aspect, the present disclosure is directed to a sample cell for a dew point meter, the sample cell comprising: a flow channel configured to receive a gas sample, the flow channel comprising: a non-mirror window surface, wherein the flow channel is configured to allow a first optical beam originating from an optical source to impinge on the non-mirror window surface and output a second optical beam from the non-mirror window surface towards an optical detector.

Cheng, Mao↗