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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The forward-backward asymmetry and differences of partial moments in inclusive semileptonic $B$ decays

Global fits to moments of kinematic distributions measured in inclusive semileptonic B\rightarrow X_c l \nu_l B → X c l ν l enable the determination of the Cabibbo-Kobayashi-Maskawa matrix element \left|V_{cb}\right| | V c b | together with non-perturbative matrix elements of the heavy quark expansion. In current fits, only two distinct kinematic distributions are employed and, as a consequence, higher moments of these distributions need to be taken into account to extract the relevant non-perturbative matrix elements. The moments of a given distribution are highly correlated and experimental uncertainties increase for higher moments. To address these issues, Turczyk suggested the inclusion of the charged lepton forward-backward asymmetry \mathcal{A}_{FB} 𝒜 F B in global fits, since it provides information on non-perturbative parameters beyond the commonly used moments. It is possible to construct differences of partial moments of kinematic distributions, which can provide additional information on the non-perturbative parameters beyond \mathcal{A}_{FB} 𝒜 F B and are studied in this work for the first time. Further, experimental cuts on the four-momentum transfer square are studied and are shown to preserve the shape of the angular distribution, in contrast to commonly used cuts on the lepton energy. Finally, the impact of final-state radiation and experimental lepton identification requirements on measurements of \mathcal{A}_{FB} 𝒜 F B and differences of partial moments are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Pandora-based muon neutrino disappearance search in the SBN program with 1muonNp quasi-elastic like channel

The Short-Baseline Neutrino (SBN) program at Fermilab aims to perform a definitive search for light sterile neutrinos using multiple liquid argon time projection chamber detectors. We present the status of an analysis of muon neutrino charged-current interactions in two SBN detectors (SBND and ICARUS), selecting fully contained events with one muon and at least one proton in the final state, inspired by the recent ICARUS standalone results. This topology-driven selection reduces dependence on neutrino interaction cross-section modeling while preserving high statistics and good neutrino energy resolution, enabled by robust reconstruction and particle identification. Fully contained events enable precise kinematic reconstruction and support relative measurements between detectors, directly addressing the core goals of the SBN program. A detailed evaluation of systematic uncertainties is currently underway, with the objective of reducing the dominant systematics to the percent level. The current status of this analysis, with a particular focus on the event selection performance, will be presented in this poster.

Artero Pons, Maria [Padua U.; INFN, Padua]↗
DOE OSTI2023

Understanding In-Situ Structure and Chemistry at Battery Interfaces Through Time-Resolved Cryo-EM

Transmission and scanning transmission electron microscopy are vital tools for characterizing interfacial structure and chemistry at high spatial resolutions but are limited by the fact that many materials are quickly damaged by electron beam irradiation. This is a challenge particularly for materials relevant to energy applications, such as lithium-containing battery materials, organic-inorganic hybrids, and liquid electrolytes. Cryogenic electron microscopy (cryo-EM) offers a partial solution to this issue by stabilizing beam-sensitive solid-solid or solid-liquid interfaces for characterization, but typical cryo-EM sample preparations are ex situ and thus cannot capture interfaces in their electrified state of interest to applications. Here, we present a method to prepare cryo-EM samples of electrified battery interfaces in situ to preserve the time-resolved structures and chemistry that arise under applied current or bias.

batteries↗
DOE OSTI2026

Single-Particle Insights Into the Electronic Structure and Enhanced Stability of CsPbBr 3 /FAPbBr 3 Core/Crown Nanoplatelets at the Nanometer Scale

Colloidal perovskite nanoplatelets (NPLs), despite their exceptional optoelectronic properties, face significant challenges due to their intrinsic instability and trap-assisted non-radiative recombination. Although many studies employing surface engineering, such as selecting ligands or coating to passivate defects, have demonstrated improved optoelectronic properties, these enhancements are typically inferred from bulk-ensemble measurements; the effects at the single-particle level remain elusive. Here, we conduct single-particle-level studies using scanning tunneling spectroscopy (STS) on a unique core–crown system, CsPbBr 3 @FAPbBr 3 NPLs, where the lateral surfaces of the CsPbBr 3 core are coated with an FAPbBr 3 crown. Experimental density-of-states (DOS) analysis reveals a 47% reduction in deep-trap states in core-crown NPLs compared to core-only NPLs, consistent with nearly two-fold enhancements in photoluminescence quantum yields. Progressive I–V sweep measurements demonstrate superior electrical stability in core-crown NPLs, preserving band structure with minimal degradation, while core-only NPLs exhibit rapid bandgap shrinkage and trap formation. Density functional theory (DFT) calculations indicate that FA incorporation distorts Pb octahedral lattice, widening the bandgap. This study elucidates how surface engineering modulates charge localization, passivates defects, and enhances stability at the single-particle level. Moreover, by uncovering bias-induced trap states in single unpassivated NPLs, this study establishes a precise, robust approach for characterizing emerging perovskite nanocrystals.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Parallelized telecom quantum networking with an ytterbium-171 atom array

The integration of quantum computers and sensors into a quantum network enables new capabilities in quantum information science. Most networks with atom-like qubits operate at visible or near-ultraviolet wavelengths and require conversion to the telecom band for long-distance communication, which reduces efficiency and potentially introduces noise. In this article we report high-fidelity entanglement between ytterbium-171 atoms and optical photons generated directly in the telecommunication band, where fibre loss is low. The nuclear spin of the atom is entangled with a single photon in the time-bin basis, yielding a high atom-measurement-corrected atom–photon Bell state fidelity. This can be further improved by addressing photon measurement errors. By imaging the atom array onto an optical fibre array, we also implement a parallelized networking protocol that can increase the remote entanglement rate proportionately with the number of channels. We also preserve coherence on a memory qubit during operations on communication qubits. These results support the integration of atomic systems into scalable quantum networks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Scalable and Secure Power Outage Data Reporting: A Hexagonal Geospatial Approach

Power outages disrupt critical infrastructure and cause billions of dollars in economic losses annually in the United States. Accurate and granular outage reporting is vital for effective restoration and mitigation. This paper examines the integration of the Hexagonal Hierarchical Geospatial Indexing System (H3) to enhance power outage reporting, leveraging its uniform grid structure, scalable resolutions, and support for privacy-preserving analysis. Using high-resolution LandScan Global population data and K-anonymization techniques, this work achieves a balance between data granularity and privacy. Results show that lower privacy thresholds (e.g., K-anonymity = 2) enable higher resolution, while stricter thresholds (e.g., >15 people per hex) reduce granularity, potentially affecting localized responses. State-and county-level resolution case studies demonstrate H3’s adaptability and the trade-offs between precision and privacy. The proposed H3-based framework offers a scalable and efficient solution for geospatial data integration within the energy sector, such as outage data, aiding utilities and regulators in improving resilience and response efforts, particularly in disaster-prone regions.

Ahmad, Nasir [ORNL] (ORCID:0000000150677368)↗
DOE OSTI2026

Sustainable Synthesis of NiMo Alloy Nanoparticles for Hydrogen Evolution Catalysis Using a Recyclable Ionic Liquid Solvent

Advancing the sustainability of nanoparticle electrocatalyst synthesis requires reducing solvent waste without compromising catalytic performance. Here, we report a rapid, microwave‐assisted colloidal synthesis of NiMo alloy nanoparticles in the ionic liquid 1‐butyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide (BMIM‐NTf 2 ), which serves as both reaction medium and recyclable solvent. NiMo nanoparticles with tunable compositions were obtained within 1 min at 230 °C, with Ni 0.86 Mo 0.14 giving the highest activity toward the hydrogen evolution reaction (HER), achieving an onset potential of −129 mV, an overpotential at 10 mA cm −2 of −290 mV versus RHE in acidic electrolyte, and >99% Faradaic efficiency. The ionic liquid was recovered and purified via aqueous NH 4 OH extraction, removing over 99% of residual Mo species, and reused for up to five successive syntheses. Nanoparticles prepared in recycled BMIM‐NTf 2 retained comparable crystallinity, morphology, and catalytic activity, with stable HER performance over 45 h of electrolysis. These results demonstrate that ionic liquid recycling can improve the sustainability of the preparation of NiMo nanoparticle electrocatalysts while preserving performance and material integrity.

bimetallic alloy↗
DOE OSTI2025

Bringing solar to agriculture: An interdisciplinary design and analysis of a Concord grape agrivoltaic system

Agrivoltaics presents an opportunity to integrate solar photovoltaics (PV) with agricultural production, but crop-specific challenges and operational constraints remain underexplored. This study develops and evaluates a Concord grape agrivoltaic system in the Lake Erie American Viticulture Area, where vineyards face economic pressures and land use conflicts with solar development. Starting with vertical, tracking, and overhead PV systems, we model photosynthetic photon flux density (PPFD) reduction in grapevines and power generation losses from shading using the Agrivoltaic Radiation Tool (ART). Based on these results, which indicate 0.47 % annual grapevine PPFD loss for vertical designs, 1.6 % for tracking, and up to 25 % for the overhead systems, the vertical and tracking designs are selected for further computational fluid dynamics (CFD) analysis to evaluate airflow interactions. CFD results show that vertical panels do not significantly impact airflow through the grapevine canopy, and that tracking systems in horizontal position may enhance airflow compared to a vine-only scenario. Considering operational constraints for tracking systems, the vertical design is selected for an economic evaluation to reveal key financial outcomes for solar developers (14-year payback period) and growers ($408 reduction in financial losses per acre annually). A sensitivity analysis quantifies uncertainty in power generation (±8.8 %) and PPFD (±5.0 %), ensuring model robustness across different vineyard conditions. Furthermore, these findings provide quantitative evidence for the feasibility of Concord grape agrivoltaics, demonstrating a synergistic opportunity for dual-use solar while preserving cultural heritage in grape-growing regions.

14 SOLAR ENERGY↗
DOE OSTI2022

KSSOLV 2.0: An efficient MATLAB toolbox for solving the Kohn-Sham equations with plane-wave basis set

KSSOLV (Kohn-Sham Solver) is a MATLAB toolbox for performing Kohn-Sham density functional theory (DFT) calculations with a plane-wave basis set. KSSOLV 2.0 preserves the design features of the original KSSOLV software to allow users and developers to easily set up a problem and perform ground-state calculations as well as to prototype and test new algorithms. Furthermore, it includes new functionalities such as new iterative diagonalization algorithms, k-point sampling for electron band structures, geometry optimization and advanced algorithms for performing DFT calculations with local, semi-local, and hybrid exchange-correlation functionals. It can be used to study the electronic structures of both molecules and solids. So, we describe these new capabilities in this work through a few use cases. We also demonstrate the numerical accuracy and computational efficiency of KSSOLV on a variety of examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Effective description of ajar systems with a 𝑈⁡(1) symmetry

We introduce the concept of “ajar systems” as an intermediate case between closed and open systems, where the time scale for charge exchange with the environment is parametrically larger than all other characteristic time scales. The Schwinger-Keldysh effective action for such finite-temperature systems exhibits a symmetry group G 1 × G 2 weakly broken to its diagonal subgroup G diag , which we systematically describe using spurion techniques. For G = U(1), we calculate leading-order corrections to correlation functions in both diffusive and spontaneously broken phases. Unlike systems with approximate symmetries where both real and imaginary parts of dispersion relations receive corrections, ajar systems modify only the imaginary part—preserving gapless modes while adding finite damping.

Effective field theory↗
DOE OSTI2025

CareWELL: Multimodal Region Representation Learning with Spatial Contexts for Urban Health

Rapid urbanization affects living environments by intensifying exposure to air pollution, heat, noise, and urban dynamics, which together contribute to uneven health outcomes across neighborhoods. For instance, cardiovascular, respiratory, and mental health conditions are each influenced by distinct exposures such as air pollution, extreme temperatures, or limited access to green space. These heterogeneous patterns require understanding the characteristics of geographic regions in order to explain why urban health risks vary across urban areas. Recent work in self-supervised region representation learning provides a promising way to model such characteristics from multimodal geospatial data. However, existing methods face two major limitations: (i) they often depend on non-public datasets, limiting reproducibility and applicability, and (ii) their generic pretraining objectives overlook health-relevant determinants, including temporal variability in environmental exposures and inequalities in social conditions. To address these gaps, we propose Context-Aware Region rEpresentation with Weather, Environment, and Location Learning (CareWELL). CareWELL leverages large language models to encode seasonal variability in weather, employs contrastive learning to align geo-coordinate and weather representations, and introduces a context-aware objective that integrates socio-demographic factors while preserving spatial correlations. We evaluate CareWELL by predicting six urban health outcomes in Manhattan, New York City, and demonstrate that CareWELL consistently outperforms state-of-the-art baselines as well as a traditional spatial computing method. These results suggest the importance of context-aware pretraining objectives for learning health-relevant region representations.

Namgung, Min [ORNL]↗
DOE OSTI2023

Optical, electrical, and EPR studies of polycrystalline Al:Cr:ZnSe gain elements

Transition metal-doped II-VI (TM:II-VI) chalcogenides are well-known laser materials for optically pumped middle-infrared lasers. Cr:ZnSe is a key representative of this class of transition metal doped II-VI gain media and is arguably considered the material of choice for optically pumped middle-infrared lasers. In addition to effective mid-IR lasing under optical excitation, these crystals, being wide-band semiconductors, hold the potential for direct electrical excitation. One way to form n-type conductivity in ZnSe crystals is by annealing them in a melt of Zn-Al alloy. However, this annealing of Cr:ZnSe crystals results in their purification and transfer of chromium to the melt of Zn-Al alloy. In this article, we report on optimizing the doping technique for providing n-type conductivity in Al:Cr:ZnSe crystals while preserving the chromium concentration. Al:Cr:ZnSe samples with resistivities ranging from 10.8 to 992 Ω-cm were fabricated. While the 2 + valence state of Cr is typically dominant in Cr:ZnSe, both Cr 2+ and Cr + were detected in Al:Cr:ZnSe samples. The maximum level of Cr + concentration was measured to be 4 × 10 18 cm -3 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

ESMs Latent Space Exploration for Uncertainty Quantification and Spatiotemporal Downscaling

This final report for DOE Award DE-SC0023044 presents advances in two key areas of climate modeling: (1) representative climate model selection and (2) Earth System Model (ESM) downscaling using hybrid AI methods. The first section introduces a reordered, three-stage workflow to select representative GCM runs that more effectively balance historical skill with ensemble spread, validated across Texas, Bihar, and New York. The second section introduces two novel super-resolution frameworks, ViSIR and ViFOR, that integrate Vision Transformers with sinusoidal and Fourier-based implicit neural representations. These models achieve state-of-the-art reconstruction accuracy for ESM variables including surface temperature and heat fluxes. The report includes detailed methodology, benchmarks, and results, demonstrating significant gains in uncertainty quantification, spatial fidelity, and scalability for climate-impact studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Flexible Pilot Jobs Framework for Distributed High Throughput Computing

Experimental particle physics has been at the forefront of analyzing the world’s largest datasets for decades. The high-energy physics (HEP) community was among the first to develop suitable software and computing tools for this purpose. GlideinWMS is a Glidein-based workload management system whose purpose is to provide experiments like CMS at CERN, DUNE at Fermilab, and others, a way to access and efficiently use vast amounts of computing resources. This system wants to provide a simple way to submit jobs to a set of computing resources, that will be provided to users behind the scenes. Glideins are the pilot jobs executed on the worker nodes at the grid sites, performing operations such as hardware detection, environment setup, and error handling. After all these operations, they will launch the actual user job. Many grid sites are supported, such as shared clusters, Google CE, and AWS. My internship aimed to design and code a flexible pilot jobs framework that will replace the one used by GlideinWMS, developing a modular and flexible skeleton of the Glidein and adding further functionalities. My project also focused on the application of machine learning techniques as support to this management system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

ICSBEP Benchmarking Tutorial for DNCSH

As part of the DOE/NRC Collaboration for Criticality Safety Support for Commercial-Scale HALEU for Fuel Cycles and Transportation (DNCSH), a workshop was held on Teams on how to write a ICSBEP benchmark that meets modern standards. The workshop prepared people performing experiments and writing benchmarks so that they have an increased chance of submitting a benchmark that will be accepted. The workshop was led by experts from LANL, LLNL and Sandia.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

SIERRA Code Coupling Module: Arpeggio User Manual - Version 5.28

The SNL Sierra Mechanics code suite is designed to enable simulation of complex multiphysics scenarios. The code suite is composed of several specialized applications which can operate either in standalone mode or coupled with each other. Arpeggio is a supported utility that enables loose coupling of the various Sierra Mechanics applications by providing access to Framework services that facilitate the coupling. More importantly Arpeggio orchestrates the execution of applications that participate in the coupling. This document describes the various components of Arpeggio and their operability. The intent of the document is to provide a fast path for analysts interested in coupled applications via simple examples of its usage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗