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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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At least 361 records · Page 20

Scan‐Path‐ and Initial‐State‐Dependent Superdomain Switching in (111)‐Oriented PZT

Polarization switching in ferroelectric materials arises from the collective evolution of complex domain hierarchies, yet deterministic control over these processes remains challenging. Here, we investigate scan-path- and initial-state-dependent switching in epitaxial (111)-oriented PbZr 0.2 Ti 0.8 O 3 thin films using automated AFM-based writing combined with quantitative 3D piezoresponse force microscopy. We show that the scan trajectory acts as an experimentally accessible control parameter for superdomain formation. Box-in-box raster scans reproducibly stabilize ordered stripe superdomains with a reduced subset of symmetry-allowed variants, whereas spiral trajectories generate frustrated mixed-variant states with a broader distribution of final microstructures. Automated pulsing experiments further show that the local superdomain configuration at the nucleation site strongly influences the final written morphology. Phase-field modeling qualitatively reproduces the contrast between representative initial-state geometries and supports the role of compatibility constraints among competing ferroelastic pathways. These findings establish scan-path and initial-state engineering as practical handles to program ferroic order in hierarchical ferroelectric domain structures.

Vasudevan, Rama K. [Oak Ridge National Laboratory ↗

Computing the QRPA level density with the finite amplitude method

Here, we describe a new algorithm to calculate the vibrational nuclear level density of an atomic nucleus. Fictitious perturbation operators that probe the response of the system are generated by drawing their matrix elements from some probability distribution function. We use the Finite Amplitude Method to explicitly compute the response for each such sample. With the help of the Kernel Polynomial Method, we build an estimator of the vibrational level density and provide the upper bound of the relative error in the limit of infinitely many random samples. The new algorithm can give accurate estimates of the vibrational level density. Since it is based on drawing multiple samples of perturbation operators, its computational implementation is naturally parallel and scales like the number of available processing units.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fused-ring isomerism modulates molecular packing and device performance in non-halogenated organic solar cells

Subtle changes in molecular backbone geometry impact intermolecular interactions and performance of organic solar cells. Here, three isomeric small-molecule acceptors (NaO1, NaO2, and NaO3) are investigated to reveal how different fused-ring configurations control molecular packing, electronic coupling, and film formation. Structural and spectroscopic analyses show that the linearly fused NaO1 forms a compact three-dimensional packing network with large and balanced electronic couplings (>24 meV) across multiple directions, while the more curved analogues exhibit excessive crystallization and phase segregation. In-situ optical measurements demonstrate that NaO1 promotes fast and continuous structural evolution during film formation, resulting in smooth morphology and homogeneous phase distribution. These structural and dynamic advantages facilitate efficient charge generation and transport, accompanied by reduced non-radiative energy loss, ultimately achieving an efficiency of 20.07% for non-halogenated ternary devices. Our findings highlight how fused-ring isomerism decisively governs structure–packing–performance relationships in organic solar cells.

36 MATERIALS SCIENCE↗

Optimizing Hydride Stability in U-ZrH x Nuclear Fuel: The “Goldilocks Radius”

Nuclear-powered microreactors show great promise for opening new nuclear energy markets due to the flexibility offered by their rapid/streamlined in-factory fabrication, transportability, and self-regulating nature. The economic benefits of any commercialized nuclear reactor, however, rely on the system’s ability to produce large amounts of heat and efficiently convert that heat into electrical power reliably for long periods of time. Uranium-zirconium hydride (U-ZrH x ) is currently being considered for compact reactor designs because it is a well-known nuclear fuel system that is self-moderating, but this fuel, which has historically been used for research reactors, has not been optimized for commercial power production. Here, this paper analyzes the hydride stability of standard 304 stainless steel–clad U-ZrH x fuel under commercially relevant conditions. Fuel element design parameters, including physical dimensions, as-fabricated hydrogen content, burnup, peak fuel temperature, temperature gradient, operational fuel cycle duration, and volumetric heat generation rate, are discussed with a focus on hydrogen distribution and phase stability within the fuel element. Hydride stability declines more rapidly as the coolant temperature, burnup, and fuel cycle duration increase. Using a fuel-cladding gap material with heat transfer properties superior to air, such as helium or sodium, is essential to prolonging fuel hydride stability. The fuel’s physical dimensions are also important. At very small fuel diameters, the H/Zr ratio in the fuel meat decreases too rapidly due to the hydrogen content’s dependence on fuel meat volume. Conversely, the fuel meat temperature and temperature gradient exacerbate hydrogen loss at very large fuel diameters. We find that the most important parameter to consider when optimizing the hydride stability of U-ZrH x fuel is the relationship between the fuel meat radius and the power density in the fuel. A simple equation is empirically determined that relates the “Goldilocks radius,” that is, the fuel radius for which the H/Zr ratio is most stable, to the power density in the fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Two transitions in complex eigenvalue statistics: Hermiticity and integrability breaking

Open quantum systems have complex energy eigenvalues which are expected to follow non-Hermitian random matrix statistics, when chaotic, or two-dimensional (2d) Poisson statistics, when integrable. We investigate the spectral properties of a many-body quantum spin chain, i.e., the Hermitian Heisenberg model with imaginary disorder. Its rich complex eigenvalue statistics is found to separately break both Hermiticity and integrability at different scales of the disorder strength. With no disorder, the system is integrable and Hermitian, with spectral statistics corresponding to the 1d Poisson point process. At very small disorder, we find a transition from 1d Poisson statistics to an effective D -dimensional Poisson point process, showing Hermiticity breaking. At intermediate disorder, we find integrability breaking, as inferred from the statistics matching that of non-Hermitian complex symmetric random matrices in class AI † . For large disorder, as the spins align, we recover the expected integrability (now in the non-Hermitian setup), indicated by 2d Poisson statistics. These conclusions are based on fitting the spin-chain data of numerically generated nearest- and next-to-nearest-neighbor spacing distributions to an effective 2d Coulomb gas description at inverse temperature β . We confirm that such an effective description of random matrices also applies in classes AI † and AII † up to next-to-nearest-neighbor spacings. Published by the American Physical Society 2025

Akemann, Gernot (ORCID:0000000217104258)↗

Enhancing the Design of Photocathodes with 90% polarization and QE > 1% for DOE NP (Final Report)

This project’s 3 major goals were the following: 1. Fabricate state-of-the-art spin-polarized photocathodes using MOCVD and develop knowledge of fabrication parameters. 2. Enhance the design of 2 structures of spin-polarized photocathodes (strained-superlattice and strained-superlattice with distributed Bragg reflector) to assess paths to the next generation of spin-polarized photocathodes. 3. Provide a supply of state-of-the-art spin-polarized photocathodes to both Brookhaven National Laboratory and the Thomas Jefferson National Accelerator Facility.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ASEAN Technical Exchange Workshop for System Operators, Regulators, and Policymakers

This presentation provides an in-depth exploration of power system planning, cross-border electricity trading, and battery energy storage systems (BESS), offering actionable insights for system operators, regulators, and policymakers. The first section delves into power system planning and analysis, focusing on capacity expansion models and resource adequacy studies, including their role in optimizing system efficiency, managing emissions, and addressing system reliability risks. Key considerations, such as integration of transmission into generation planning and the forecasting versus optimization of customer distributed energy resources (DER) technologies, are explored. The session highlights critical trade-offs in spatial granularity and model runtimes, as well as the feasibility of aligning distribution investments with capacity expansion efforts. The second section examines cross-border electricity trading, with an emphasis on resource adequacy concepts such as reliability targets, loss of load expectation (LOLE), and planning reserve margins (PRM). Case studies on reserve market design and coordination across US regions provide insights into improving reserve deliverability and managing interregional power balance and congestion. This section also addresses market-to-market congestion management, including advanced strategies for high-voltage direct current (HVDC) optimization and ancillary service delivery. Finally, the presentation covers the rapid evolution of Battery Energy Storage Systems (BESS), highlighting their operational growth, regulatory frameworks, and use cases in grid flexibility, energy storage, and reliability. The discussion focuses on the benefits of BESS for system stability, resilience, and integration of renewable energy, offering insights into its role as a vital component in the transition toward a more sustainable and flexible grid. Key performance parameters, such as throughput, round-trip efficiency, and state of charge, are also examined.

25 ENERGY STORAGE↗

On Possibilities of Using Edge Radiation for X-ray and Electron Beam Diagnostics at Bending Magnet Beamlines of NSLS-II

Spectral flux density distributions of long-wavelength Edge Radiation, i.e. radiation generated by relativistic electrons at edges of bending magnets in a storage ring are described, both analytically and numerically. Possibilities of using this radiation for the alignment of optical components of bending magnet beamlines at NSLS-II and for non-destructive X-ray and electron beam diagnostics at these beamlines are discussed.

43 PARTICLE ACCELERATORS↗

AI Applications to Physics Experiments at Jefferson Lab

We survey how AI/ML is being deployed across Jefferson Lab's experimental and accelerator programs. In EPSCI, Hydra applies computer vision to automate real-time data-quality monitoring across all four experimental halls, replacing manual inspection of hundreds to thousands of histograms per shift. AIEC (AI Experiment Controls) uses ML to stabilize drift chamber gains and is now part of standard CEBAF production running, while AI Optimized Polarization (AIOP) targets autonomous control of polarized targets and photon beam angular alignment. In CASA, cavity fault classification models identify faulted cavities and trip types from waveform data with ~85% and ~78% agreement to labeled data, respectively, and are deployed in production; a separate effort applies LLMs and hybrid search to make the CEBAF operations logbook AI-ready. QCD-focused work includes transformer- and GAN-based generative models for particle-level event simulation, with distributed GAN training scaling studies on Polaris. Additional efforts span ML-on-FPGA for the EIC and a new Data Science Department coordinating anomaly detection, uncertainty quantification, and HPC-scalable ML lab-wide. Collectively, these projects illustrate AI's growing role in improving efficiency across JLab's nuclear physics mission.

Mei, Xinxin [Thomas Jefferson National Accelerator↗

Investigating the weak charge of 48 Ca using a dispersive optical model

A new nonlocal dispersive-optical-model analysis has been carried out for neutrons and protons in 48 Ca that reproduces the weak-form-factor measurement of CREX. In addition to elastic-scattering angular distributions, total and reaction cross sections, single-particle energies, the neutron and proton numbers, and the charge distribution, the CREX-measured weak form factor has been fit to extract the neutron and proton self-energies both above and below the Fermi energy. The resulting single-particle propagators yield a weak form factor of F w = 0.125 ± 0.05 and a neutron skin of R skin = 0.152 ± 0.05 fm, in good agreement with CREX. The rearrangement of the neutron distribution to accommodate such a thin neutron skin results in the high-momentum content of the neutrons exceeding that of the protons, in contrast to what is expected from high-energy two-nucleon knockout measurements by the CLAS collaboration and ab initio asymmetric matter calculations. The present analysis also emphasizes the importance of neutron experimental data in constraining weak charge observables necessary for a precise description of neutron densities. Notably, the neutron reaction cross section and further parity-violating experiments weak form factor measurements are essential to generate a unique way to determine the 48 Ca neutron distribution in this framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Understanding Line Losses and Transformer Losses in Rural Isolated Distribution Systems

Rural, isolated power systems in the mainland U.S. and in states like Alaska and Hawaii are powered by assets like diesel generators. These rural, isolated power systems also cannot operate at the higher band of medium voltage (like 69kV). They are primarily in the 12 to 14 kV range to keep the cost of the distribution investments lower. Because of this mid-band medium voltage range, the line losses and distribution transformers losses consume significant diesel consumption (almost 10 percent of the peak load). This work considers one such power system powering an isolated system and presents key findings online losses, and transformer losses. Understanding and documenting the impacts is critical for these communities operating their power systems and take actions to reduce expensive diesel consumption. In this paper, we will present one such typical grid and model it in electromagnetic transients (EMT) domain. We used the tower structure, under ground cabling installation to develop high fidelity models of lines. We also used high fidelity models of distribution transformers to present the no-load losses and full load loses. We will also present technical solutions available commercially off-the-shelf to reduce these losses and reduce diesel consumption. This work will be a primer for communities to understand the technical challenges and to understand the possible solution available to solve such challenges for rural, isolated power system operators.

blackstart↗

Distributed optimization and control for autonomous distributed energy resource power dispatch and frequency regulation considering communication failures

Distributed energy resources (DERs) can significantly enhance grid flexibility by supplying power and secondary frequency regulation (SFR) services. Yet, their large number and dispersed nature limit the effectiveness of traditional centralized power dispatch and frequency control schemes, and expose the system to single-point communication failures. This paper presents a unified distributed optimization and control framework for DER power dispatch and SFR provision. A transmission-loss-aware distributed direct current optimal power flow is first formulated to optimize DER power dispatch and reserve scheduling. On top of this, a fully distributed control scheme for DER autonomous SFR provision is developed to allocate automatic generation control signals cost-effectively while ensuring robustness to communication link disruptions. The framework is validated on IEEE 14-bus and 39-bus transmission systems with large-scale distribution feeders using transmission-distribution dynamic co-simulation, demonstrating reliable and autonomous DER power dispatch and SFR provision under diverse operating conditions and communication contingencies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Data-Driven Method for Synthetic Extreme Weather Generation and Solar Impact Assessment: Preprint

High-resolution, high-fidelity weather datasets are essential for testing and evaluating the resilience of power systems, particularly under extreme weather conditions. However, existing extreme weather datasets are typically derived from historical events that are localized and may lack the spatial and temporal resolution or scenario diversity needed to test largescale power systems. In this work, we propose a synthetic extreme weather simulation approach capable of generating targeted extreme events, such as hurricanes, using publicly available data sources. Preliminary results demonstrate the impact of a simulated Category 1 hurricane on renewable generation and critical infrastructure in California. The work aims to provide a flexible approach for creating multiple types of extreme weather scenarios across different regions, enabling comprehensive system stress testing, training, and resilience assessment.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Regulatory and Technical Challenges and Barriers to Adoption of Distributed Wind Energy in Agricultural Settings

Distributed wind (DW) energy development can benefit agricultural landowners through the possibility of improved resilience of electrical service from onsite generation and associated economic benefits. DW development currently faces technical and regulatory challenges related to interconnection of projects with distribution or transmission equipment on the main electrical grid. A review was conducted of barriers to adoption for agricultural DW projects and potential roles of various stakeholders in addressing them. One major barrier is that the unique characteristics of wind energy generation such as its variability and intermittency, may require upgrades for the whole power line, which can lead to prohibitive cost burdens on individual interconnection customers. Another barrier is compliance with federal, state, or utility-level regulations that require technology-agnostic, industry-standard equipment that is often not technically realistic for DW projects. DW developers, grid infrastructure owner-operators, regulators, and standards publishers can work together to address these challenges and facilitate DW development.

17 WIND ENERGY↗

Self-generated electrokinetic flows from active-charged boundary patterns

We develop a hydrodynamic description of self-generated electrolyte flow in capillaries whose bounding walls feature nonuniform distributions of charge nonuniform active ionic fluxes. The hydrodynamic velocity arising in such a system has components that are forbidden by symmetry in the absence of charge and fluxes. However, when these two boundary mechanisms are simultaneously present, they can lead to a symmetry broken state where steady flows with both unidirectional and circulatory components emerge. We show that these flow states arise when modulated boundary patterns of charge and fluxes are offset by a flux-charge phase difference, which is associated with the separation between sites of their peak densities on the wall. Mismatch in diffusivity of cationic and anionic species can modify the flow states and becomes an enhancing factor when fluxes of both ion species are being produced together at the same site. We demonstrate that this mechanism can be realized with a microfluidic generator that is powered by enzyme-coated patches that catalyze reactants in the solution to produce fluxes of ions. The local ionic elevation or depletion, which disrupts a nonuniform double layer, promotes self-induced gradients yielding persistent body forces to generate bulk fluid motion. Our work quantifies a boundary-driven mechanism behind self-sustained electrolyte flow in confined environments that exists without any external bulk-imposed fields or gradients. It provides a theoretical framework for understanding the combined effect of active and charged boundaries that are relevant in biological or soft matter systems, and can be utilized in electrofluidic and iontronic applications.

active matter↗

Multiple Changepoint Detection for Non‐Gaussian Time Series

ABSTRACT This article combines methods from existing techniques to identify multiple changepoints in non‐Gaussian autocorrelated time series. A transformation is used to convert a Gaussian series into a non‐Gaussian series, enabling penalized likelihood methods to handle non‐Gaussian scenarios. When the marginal distribution of the data is continuous, the methods essentially reduce to the change of variables formula for probability densities. When the marginal distribution is count‐oriented, Hermite expansions and particle filtering techniques are used to quantify the scenario. Simulations demonstrating the efficacy of the methods are given and two data sets are analyzed: 1) the proportion of home runs hit by Major League Baseball batters from 1920 to 2023 and 2) a six‐dimensional series of tropical cyclone counts from the Earth's basins of generation from 1980 to 2023. In the first series, beta marginal distributions are used to describe the proportions; in the second, Poisson marginal distributions seem appropriate.

Lund, Robert [Department of Statistics University ↗

A novel conditional generative model for efficient ensemble forecasts of state variables in large-scale geological carbon storage

Integrating monitoring data to efficiently update reservoir pressure and CO 2 plume distribution forecasts presents a significant challenge in geological carbon storage (GCS) applications. Inverse modeling techniques are commonly used to fuse observational data and refine reservoir model parameters, thereby improving state variable forecasts. However, these techniques often rely on linear or Gaussian assumptions, which can limit their effectiveness in accurately predicting state variables. Moreover, simulating large-scale three-dimensional (3D) GCS problems is computationally expensive, making iterative runs in inverse problems prohibitive. To address these challenges, we propose a conditional generative model utilizing the score-based diffusion method for real-time 3D pressure and saturation field distribution predictions. Our approach involves solving the score function with a mini-batch-based Monte Carlo estimator to generate labeled data. This data is subsequently employed to train a fully connected neural network, enabling it to learn the conditional sample generator within a supervised learning framework. This method enables the rapid generation of a large ensemble of predictions, facilitating comprehensive uncertainty quantification of state variables. Here we applied our method to forecast the dynamic 3D distributions of pressure and saturation fields over a 30-year injection period. The statistical assessment with low root mean square error (RMSE) values demonstrates that our method can accurately predict the spatiotemporal distributions of both pressure and saturation fields. Moreover, the developed conditional generative model shows high computational efficiency by generating 100 ensemble forecasts of 3D state variables in less than 10 min. The consistency between ensemble averages and ground truth values further illustrates the model’s capability to capture state variable dynamics during the CO 2 plume injection process. Notably, the ground truth values fall within the ensemble forecasts, indicating that our uncertainty quantification effectively captures variability and potential noise in the observations. Thus, the developed conditional generative model proves to be a more efficient, accurate, and practical tool for GCS applications, facilitating timely risk analysis and informed decision-making.

58 GEOSCIENCES↗

An Integrated Hydroclimatic Assessment of Future Reservoir and Hydropower Operations in the U.S.

The engineering of rivers by dams is a formative feature of human-nature systems and the interconnectivity of water, energy, and the climate. Sufficient and broad-based representations of dams in large-scale hydrological models prove essential to mapping their extensive regulation of river flow and biogeochemistry and gauging climate-linked provisions, including freshwater supply and hydropower. We present an integrated modeling framework to investigate future streamflow and hydropower generation in the Contiguous U.S. (1990–2075), leveraging an ensemble of six downscaled and bias-corrected General Circulation Models (GCMs) from the high-end SSP585 scenario of the CMIP6. To achieve this, we develop a reservoir operations and parameterization scheme for 1,384 dams in a high-resolution river network, including simulated hydropower generation for 326 dams. For the GCM ensemble mean, we simulate a widespread increase in regulated streamflow into the late-century (11% annual and 17% in winter for the dam median) with region-specific changes in summer streamflow that feature prominent declines in the Northwest (−7%). Mediation by reservoirs is shown to dampen intra-annual streamflow changes, delivering additional summer releases that partially mitigate declining flows. Total hydropower generation is projected to increase modestly (+3%), with boosted generation in the winter (+9%) and spring (+5%) offsetting declined summer generation (−3.4%), suggesting strong adaptation potential for hydropower in the future energy portfolio. Further analysis reveals that the choice of GCM, particularly in western regions, has significant bearing on projected streamflow and hydropower changes.

13 HYDRO ENERGY↗