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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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13 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Energetic and Electronic Properties of UX +/0/– for X = Li and Be and Comparison of the Properties of the Uranium Atom Binding to 2nd Row Elements Li–F

The bonding and spectroscopic properties of ULi +/0/– and UBe +/0/– to complete the series for UX +/0/– for X = Li to F were investigated by high-level ab initio SO-CASPT2 and CCSD(T) electronic structure calculations. The low-lying spin–orbit states were obtained at the SA-CASPT2/aQ-PP level; bond dissociation energies (BDEs), ionization energies (IEs), adiabatic electronic affinities (AEAs), and vertical detachment energies (VDEs) were calculated at the Feller-Peterson-Dixon (FPD) level. A dense manifold of low-lying states was predicted for ULi +/0/– and UBe +/0/– . Here, the calculated BDEs for ULi (37.7 kJ/mol) and UBe (8.0 kJ/mol) show that UBe is weakly bound. For redox processes, the BDEs increased for ULi + (109.3 kJ/mol), ULi – (47.4 kJ/mol), UBe + (35.6 kJ/mol), and UBe – (72.3 kJ/mol). The IE(ULi) = 4.650 eV is lower than IE(Li); the IE(UBe) = 5.901 eV is close to the IE(U) and to the IEs of UB, UC, UN, UO, and UF. The AEAs of ULi (0.708 eV) and UBe (0.989 eV) are lower than those for UB, UC, UN, and UO but higher than that for EA(UF). Natural bond orbital (NBO) calculations show that ULi has the 5f 3 6d 1 7s 2 configuration for U and 2s 1 for Li, with a small partial negative charge slightly delocalized on U. UBe arises from the U(5f 3 6d 1 7s 2 ) and Be(2s 2 ) electron configurations with no charge separation. The same calculations were made for WX (X = Li, Be, C–F) to enable detailed comparisons of the properties for UX with WX (X = Li–F). For WX, BDE(WX) is higher than that for UX for X = Li to N and lower than BDE(UX) for X = O and F, mostly due to the higher IE of W than U as ionic character becomes more important going from Li to F.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Testing, Calibration, and UxS Integration of the Kromek GR1 Plus CZT Gamma Spectrometer

Collecting radiation measurements can be a hazardous task, especially in the presence of highly active sources. Various scenarios necessitate source search, classification, and quantification, often with limited or no a priori information. Activities such as disaster mitigation, emergency response, environmental monitoring, and site remediation may involve dangerous radioactive sources. In these situations, there is a pressing need for remote monitoring capabilities that protect human operators from potential harm and enhance adherence to the principle of “As Low as Reasonably Achievable” (ALARA) for radiation doses. The first step toward achieving remote radiation measurement capabilities is the remote operation of a radiation sensor. Once this milestone is reached, the next challenge is to integrate this remote sensing capability into suitable actuation agents, collectively referred to as uncrewed systems (UxS). These systems include familiar platforms such as robotic quadrupeds, aerial multirotor vehicles, and ground vehicles, any of which may be teleoperated, act autonomously, or utilize a combination of both. A critical factor in achieving remote radiation sensing is the availability of data from the appropriate sensor. Many commercially available radiation sensors have closed-source documentation for their communication protocols. Typical end-user products are often self-contained, handheld devices designed for manual measurement scenarios. While there are commercial off-the-shelf (COTS) integrations of radiation sensors with UxS available for purchase, these solutions are typically tailored for specific use cases and may not meet the requirements of different applications. This paper discusses efforts to remotely acquire radiation measurements from a small form-factor CZT gamma spectrometer. Sandia National Laboratories has successfully demonstrated the initial capability to integrate low size, weight, and power (SWaP) gamma spectroscopy into various UxS, alongside co-located GPS data logging and sensor calibration and qualification. With remote gamma spectroscopy achieved, the stage is set for UxS integration of this capability.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Bond Dissociation Energies and Electronic Calculations on the Actinide Halides ThX and UX (X = Cl, Br, I)

Resonant two-photon ionization spectroscopy has been used to locate predissociation thresholds in the spectra of the actinide halides ThX and UX, where X = Cl, Br, and I. These predissociation thresholds are identified as the bond dissociation energies (BDEs) of the molecules. The resulting values show very similar BDEs for the corresponding ThX and UX species, with the thorium molecules being slightly more strongly bound: D 0 (ThCl) = 5.077(6) eV, D 0 (ThBr) = 4.391(4) eV, D 0 (ThI) = 3.537(8) eV, D 0 (UCl) = 4.989(3) eV, D 0 (UBr) = 4.313(3) eV, and D 0 (UI) = 3.449(8) eV. Here, the estimated error limit is given in parentheses in units of the last reported digit. Spinor-based coupled cluster calculations have also been carried out on the halides of this work, including also ThF and UF. Here, the final D 0 values after including contributions due to basis set incompleteness, outer-core-correlation, picture-change, and QED effects are within 0.04 eV of the present experimental values in each case.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Bridging the Gap Between Modern UX Design and Particle Accelerator Control Room Interfaces

Accelerator control systems often represent relatively complex and safety-sensitive human-machine interfaces within process control industries. These systems are technically robust and reflect the cumulative integration of solutions built and adapted across decades. One of the regular, unfortunate casualties of provisional accelerator control system updates is their human-system interfaces (HSIs) which often lag behind modern usability and design standards. An additional challenge is that although there is a multitude of established human factors (HF), and user experience (UX) principles for everyday digital applications, there are very few (if any) established principles for complex and safety-critical applications for an accelerator. This paper argues for the importance of established HF and UX principles (herein referred to as human-centered design principles) into the development of accelerator HSIs, emphasizing the need for clarity, consistency, responsiveness, and cognitive accessibility. Drawing from HF/UX best practices and human-centered design, this paper discusses how these approaches can enhance operator performance, reduce human error, and improve accelerator personnel collaboration. Case studies from Accelerator Control Operations Research Network (ACORN) at Fermilab are explored to demonstrate how interfaces built with human-centered design principles can scale with system complexity while remaining intuitive and efficient for diverse user roles including operators, machine experts, and engineers. By bridging the gap between traditional control system design and modern human-centered design methods, this paper provides a roadmap for evolving accelerator HSIs into more usable, maintainable, and effective tools.

Hill, Rachael [Idaho Natl. Lab.]↗
DOE OSTI2026

Alarms and Attention: UX Lessons from Safety-critical monitoring

UX lessons from designing the Alarms app (a tool operators rely on to track accelerator subsystems and respond to alerts). The talk focuses on how observation, empathy, and iterative design helped us balance information, attention, and safety.

Kim, Leah [Fermilab]↗
DOE OSTI2026

Drone Fleet Summary: NNLEMS UxS Rolodex entry for Sandia

Sandia’s UAS Aviation Operations Unit (UAOU) was established in 2019 to be the single entity at Sandia conducting UAS Ops in support the labs Uncrewed Aircraft Systems (UAS) activities. The UAOU currently consists of >330 FAA Registered UAS with a large variety of primarily Class 1&2 UAS: fixed wing (>90), multi-rotor (>230), hybrids, VTOLs, jets, and balloons. Many of these are threat vehicles presented as targets to Counter-UAS (CUAS) systems as part of performance tests, with the remainder in support of other projects across Sandia often with custom payload needs. The UAOU has ~15 primary pilots and reach back to another ~45 FAA Certified Remote Pilots across Sandia. The team conducts flight and CUAS operations at many test locations, including OCONUS. Sandia was awarded the 2024 DOE Federal Aviation Safety Program Award.

42 ENGINEERING↗
DOE OSTI2025

UDP-glucuronic acid decarboxylase in alfalfa: a target to improve ruminal digestibility of stems

Alfalfa (Medicago sativa) has a high nutritional value, but poor digestibility of the stems limits its value as an energy source in ruminant diets. Xylan and lignin negatively affect cell wall digestibility, whereas pectins have high digestibility in the rumen. In plants, UDP-xylose synthase (UXS) catalyses the decarboxylation of UDP-glucuronic acid to form UDP-xylose in an irreversible step that is key for xylan synthesis. Here, we functionally characterized two UXS genes in alfalfa, namely MsaUXS2 and MsaUXS4, and investigated their impact on ruminal digestibility. Both genes are more highly expressed in stems than leaves, and the enzymes have UDP-glucuronic acid decarboxylase activity in vitro. Silencing of MsaUXS2 and MsaUXS4 via RNAi altered plant growth and resulted in a 40% decrease in xylose, a 115% increase in arabinose, and a 60% increase in galacturonic acid in the polysaccharide matrix as well as a 20% decrease in lignin in the cell wall. Together, our results show a major role for UXS2 and UXS4 in xylan synthesis and secondary cell wall deposition in alfalfa. Additionally, in vitro rumen digestibility assays for the silenced lines had on average 30% increased gas production at 24 h, demonstrating the potential of targeting UXS genes to increase stem digestibility.

UDP-xylose synthase↗
DOE OSTI2024

Quenching of the quantum p -strength in light exotic nuclei

One-nucleon spectroscopic overlaps, their strength or spectroscopic factors (SFs), and nucleon removal cross sections for light nuclei in the mass range A≤12 were evaluated using the fully correlated Quantum Monte Carlo (QMC) wave functions (WFs). Harder (AV18+UX) and softer (NV2+3) bare interactions were used providing consistent results. The SFs were also taken from simple Shell Model (SM) calculations. This structure information was incorporated in the standard three-body Faddeev/Alt-Grassberger-Sandhas reaction formalism to evaluate the (p,pN) cross sections. The results further our understanding of the quenching of the quantum p-shell strength obtained from structure and reactions. We have found the ratios of the total QMC sums of SFs to the SM ones to be uniform and ∼ 3/4. The corresponding ratios of the sums Below Particle Threshold (BPT) of SFs, as well as of total cross sections, deviate strikingly from the uniform trend in some special cases. We find these ratios to be close to unit for 9 Li → 8 Li + n and 9 C → 8 B + p. In contrast, they are strongly reduced for 11 C → 10 C + n and 11 B → 10 Be + p mirror transitions, resulting from the quenching of the strength for low-lying 2 + final state transitions. The QMC theoretical cross section BPT for 11 C(p,pn) is about two times smaller than the experimental data.

(p,pN) reactions↗
DOE OSTI2025

Initial User Study Insights Clarified Community Requirements & Early Feedback on Conceptual Design

The HPDF User Experience (UX) team conducted eight semi-structured interviews with twelve individuals leading data and computing infrastructure work at DOE Office of Science (SC) user facilities or projects. This report presents key takeaways synthesizing community perspectives and needs, along with recommendations for the project. These insights should be considered as conceptual design work continues, early partnerships begin, workflow readiness activities evaluate and enhance key scientific tools, and early access systems are made available to the Office of Science (SC) community. Vigilance in meeting community requirements and ensuring workflow readiness will be needed to ensure HPDF’s success.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Investigating the Future of Scientific Data Search [Slides]

Searching for usable, actionable, data in a trustworthy manner is a challenge across scientific communities. Artificial Intelligence (AI) and Machine Learning (ML) techniques may be leveraged to increase the utility of scientific data by: Demystify unstructured data to aid curation & sharing Surfacing hard to find datasets. User Experience (UX) Research can help uncover scientists needs & challenges finding data and using AI/ML enabled tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Focused Ion Beam Tomography of Alloy 617 Corroded in Molten Chloride Salt

Materials qualification of reactor structural materials is a critical step in rapid implementation of advanced nuclear reactor technologies, particularly to assess the corrosion performance in these designs. Accelerated qualification of reactor structural materials requires incorporating powerful computational toolsets, such as phase field modelling in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, to predict the evolution of structural materials due to corrosion. Accordingly, computational toolsets will require experimental data generated at appropriate length scales to validate accuracy. Focused ion beam (FIB) provides a high degree of control over manipulation of materials for analytical purposes, including capturing data on the evolution in the microstructure and elemental composition of materials at the mesoscale, an appropriate length scale for phase field modelling of intergranular diffusion phenomena using the MOOSE framework. For instance, the FEI Helios G4 UX dual beam plasma FIB microscope at the Irradiated Materials Characterization Laboratory (IMCL) is capable of backscatter diffraction (EBSD) and energy-dispersive x-ray spectroscopy (EDS) documenting the evolution in the microstructure and elemental composition, respectively. The Helios can perform EDS and EBSD three-dimensionally (3D) using tomography, which is then combined using different software packages to visualize 3D volumes correlating elemental composition to microstructural data. The purpose of this investigation was to develop a streamlined characterization and data processing workflow for 3D tomography studies on the FEI Helios G4 plasma FIB. The investigation is segmented into three parts: 1) Optimizing the data collection workflow, 2) identifying appropriate data processing and visualization software (i.e. DREAM.3D, MIPAR, and VGStudioMax), and 3) establishing an infrastructure for public release. The optimization of the data collection workflow is in collaboration with members of the U220 department to setup formal training on the tomography operation of the G4, through ThermoFisher Scientific, and exploring DREAM.3D, MIPAR, and VGStudioMax data processing/visualization software packages. VGStudioMax currently demonstrates the most promise for future use. Optimization of the data collection and processing workflow is still ongoing. A collaboration with INL High Performance Computing (HPC) established an open-source license for expediting the public release of FIB tomography datasets through HPC. FIB tomography data generated by the G4 will provide comprehensive data for validating 3D phase field mesoscale modelling tools within the MOOSE framework for accelerated qualification of reactor structural materials.

Copeland-Johnson, Trishelle↗
DOE OSTI2025

Fostering Geothermal Machine Learning Success: Elevating Big Data Accessibility and Automated Data Standardization in the Geothermal Data Repository

The Department of Energy's (DOE's) Geothermal Data Repository (GDR) has implemented improvements to both its data lakes and its data standards and automated data pipelines. The GDR data lakes have reduced storage and compute-related barriers to using large geothermal datasets, enabling these large datasets to be accessed by anyone with a modern computer and internet access. More recently, the GDR has been working to further reduce barriers through streamlining the data intake process, educating users on the process and requirements, and helping users access data from the data lakes. These improvements have augmented the quantity of datasets the GDR is able to accept into its data lakes and have enabled users who are new to cloud tools to access these datasets more easily, overall increasing the accessibility of big geothermal data for use in machine learning and other projects. In addition, the GDR now has built-in data standards and pipelines for drilling data, geospatial data, and distributed acoustic sensing (DAS) data. These standardization efforts aim to enhance the real-world applicability of geothermal machine learning outcomes by improving the quality of training data. Specifically, through standardizing high-value datasets, the GDR is reducing project-specific data curation requirements, thus allowing more time for actual research. By automating this process, the burden of standardization is lifted from the user, ultimately increasing the availability of standardized data. This paper provides an update on recent improvements made to the GDR's data lakes and automated data pipelines, including: (1) streamlining the data lake intake process, (2) better educating users on the process and requirements through a new data lakes page, (3) adding data lake direct access links to GDR data lake submission pages, (4) implementing a DAS data pipeline to convert DAS data uploaded in SEG-Y format to a standardized hierarchical data format v5 (HDF5), (5) extending this pipeline to encompass data in the GDR data lake, (6) adding metadata requirements for geospatial data, (7) making user interface/user experience (UX) enhancements to the data pipelines' documentation pages, and (8) improving the GDR's data standards and pipelines pages to better guide users in ensuring that their data is standardized by the GDR's automated data pipelines. 2024 Geothermal Resources Council. All rights reserved.

accessibility↗