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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Single crystal purification reduces trace impurities in halide perovskite precursors, alters perovskite thin film performance, and improves phase stability

Impurities present in commercially available halide perovskite precursors are known to affect photovoltaic performance. Here, we employ bulk single crystal growth of FAPbI 3 using solvent orthogonality induced crystallization (SONIC) to remove a broad set of extrinsic impurities from commercially available halide perovskite precursors, as verified by detailed chemical analysis. Following SONIC purification, FAPbI 3 films made from PbI 2 of originally low purity (99%) and high purity (99.99%) show improved phase purity and stability under light and heat relative to films made from raw precursors or precursors purified via retrograde powder crystallization (RPC) in 2-methoxyethanol, a method commonly utilized in recent reports of the highest-efficiency perovskite solar cells. In conclusion, single-crystal purification of precursors improves film stability under operational stressors, and the large enhancements in material purity provide a cleaner slate for improved isolation of compositional and additive effects on perovskite phase stability.

14 SOLAR ENERGY↗
DOE OSTI2021

Detection of Foreign Materials on Broiler Breast Meat Using a Fusion of Visible Near-Infrared and Short-Wave Infrared Hyperspectral Imaging

Foreign material (FM) found on a poultry product lowers the quality and safety of the product. We developed a fusion method combining two hyperspectral imaging (HSI) modalities in the visible-near infrared (VNIR) range of 400–1000 nm and the short-wave infrared (SWIR) range of 1000–2500 nm for the detection of FMs on the surface of fresh raw broiler breast fillets. Thirty different types of FMs that could be commonly found in poultry processing plants were used as samples and prepared in two different sizes (5 × 5 mm 2 and 2 × 2 mm 2 ). The accuracies of the developed Fusion model for detecting 2 × 2 mm 2 pieces of polymer, wood, and metal were 95%, 95%, and 81%, respectively, while the detection accuracies of the Fusion model for detecting 5 × 5 mm 2 pieces of polymer, wood, and metal were all 100%. The performance of the Fusion model was higher than the VNIR- and SWIR-based detection models by 18% and 5%, respectively, when F1 scores were compared, and by 38% and 5%, when average detection rates were compared. The study results suggested that the fusion of two HSI modalities could detect FMs more effectively than a single HSI modality.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experiences with Mobile Units for Liquid RAW Management in Slovak and Czech Nuclear Power Plants - 20089

In Nuclear Power Plants VVER 440, Russian type of reactor there was designed auxiliary building where according to basic design all operational liquid radioactive waste (RAW) should be stored in large capacity tanks during the whole operational period. That's why there are in the auxiliary building several types of large storage tanks with different internal volume from 110 m{sup 3}, 460 m{sup 3} to 550 m{sup 3}. Storage tanks are usually situated in rooms with limited access and minimal handling space. Operational waste was here transported by the system of pipes from the reactor building. There is possibility to handle with the waste and set the pipeline in to the chosen storage tanks. Nobody takes care about the quality of waste in the storage tanks and waste waits for the period of decommissioning when it should be treated. The storage capacity was designed for the whole lifetime of nuclear power plant. Currently the life time of Nuclear Power Plant's (NPP) is extended and there is necessity to retrieve and treat the RAW in advance. Another reason why the stakeholder, who operates the NPPs, decides to treat the operational RAW during the operational period of NPP, is that there are still new requirements from safety point of view which need to have free available space for example because of potential accident. So treating the operational RAW during the life time of NPP is present issue. Because in basic design nobody cares how the RAW will be retrieved and treated in the future, there is usually no technology for that in existing NPP. Some of the NPPs build an additional building with suitable technologies for treatment or hire the company which offer mobile technology for retrieving the waste from the storage tanks. Wood Nuclear Slovakia PLC provides all activities within liquid RAW management projects by its own staff including management, design, construction and deployment of equipment, engineering support, as well as all RAW retrieval and solidification activities. We offer RAW management as a service without any significant changes in existing NPP's buildings and technology. It is always a technical challenge to conduct successful retrieval, pumping and treatment of RAW. The complex RAW retrieval system can be designed as tailored solution for any RAW storage according to known boundary conditions and specific needs. These systems are based on years of experience with RAW manipulation, processing and treatment and the whole RAW management knowledge by Wood Nuclear Slovakia LTD. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

AGR-5/6/7 Raw Thermocouple Data

This is temperature data from the AGR-5/6/7 experiment. This data will support a conference paper (INL/CON-20-60776) and needs to be shared with co-authors and other collaborators.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Surface Charge Distribution Mapping Using an Electrostatic Probe

Undesired accumulation of charge on dielectric materials causing electrostatic discharges can be an issue in pulsed power systems and electrical systems in general. As such, an understanding of surface charge distribution, charge accumulation, and decay is required. An in-house no-contact electrostatic probe designed with a 2 mm resolution was fabricated to measure and map surface charge distribution. Designed as a contactless instrument, the probe consisting of a metal rod and low leakage amplifier circuit probes the electric potential near the surface. A scan of the surface then provides the raw data, a potential distribution. The actual probe response - i.e., the surface charge to voltage transfer function, is accounted for in post-processing. This is accomplished via an Inverse Wien Filter - a technique often applied in image processing - to deconvolve the probe response from the measured data. A commercially available electrostatic probe, the Trek 341B meter with a 3455ET probe, capable of measuring +/- 20 kV was compared to the in- house probe that is designed to cover a wider range from +/- 35 kV. A resolution better than the simple probe resolution is achieved through the distribution’s scanning voltage method and deconvolution. Applying repeated scans, surface charge decay was tracked on various polymer materials to determine the material and environment dependence; materials included were PA6, PTFE, and others. As an example of material dependence, samples charged to 20 kV at 65% humidity experience full charge decay in approximately 45 seconds for PA5 (152 mm dia.), while it took about 100 times longer for PTFE (51 mm dia.) to observe the same decay/redistribution of charge.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Supporting Data for "On the magnetic contribution of itinerant electrons to neutron diffraction in the topological antiferromagnet CeAlGe"

Contents of this DOI are data for the research paper "On the magnetic contribution of itinerant electrons to neutron diffraction in the topological antiferromagnet CeAlGe" by the authors: V. Pomjakushin et al. The dataset contains raw data from neutron scattering experiments of CeAlGe powder performed at the CNCS spectrometer at Spallation Neutron Source at ORNL.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Utah FORGE Phase 3 Native State Model: 2022 Update

This is the Phase 3 native state model update. The Phase 3 numerical model represents a significant subsurface volume below the FORGE site footprint. The model domain of 4.0 km x 4.0 km x 4.2 km is located approximately between depths of 4000 to 4200 meters below land surface. This data archive consists of 10 files, 4 of which are simulation input files and the remaining 6 are simulation output files. There is an included readme.txt file that contains details on each of the data files. The input files include meshes, FALCON code inputs, tabulated data of water properties, temperature values, and model boundaries. The output files include simulation outfiles and point data of modeled material properties.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Tools for Water Ingress Testing

The Safety Storage and Engineering Team, as part of the Production Support Services division (PSS-2), is tasked with ensuring the safety of containers used for handling and storage of nuclear materials. As part of this work, water ingress tests are conducted to evaluate the water-tightness of containers intended for in-glovebox use. In collaboration, the statistics group of the Computer and Computational Sciences Division (CCS-6) provided support in developing a statistically defensible approach for determining appropriate sample sizes for water ingress testing. Water ingress testing involves multiple measurements on multiple containers. Our approach uses a simple random effects model to analyze a pilot data set, implementing prediction limits to evaluate the efficacy of collecting additional data. Although this study capitalizes on available data, our approach can be used with estimates of the ratio of between and within variability and average values, often available from past testing or expert knowledge. An interactive Shiny tool was developed as a final user-friendly product for future testing. The Shiny interface is an open-source package providing a framework for building web applications. Raw data exploration and prediction interval-based sample size assessments can quickly be conducted by the engineering team without needing to interact with the underlying code.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Putting error bars on density functional theory dataset

This dataset contains submission files and raw output files from high-throughput DFT simulations to analyze the systemic errors in lattice constant, bulk moduli and formation energy predictions for a range of binary and ternary oxides using four exchange correlation functionals (LDA, PBE, PBEsol and vdW-DF-C09). This data was then used as the basis for employing materials informatics methods to predict the expected errors in the lattice constants of the studied compounds. Predicted errors were also used to better the DFT-predicted lattice parameters. Our results emphasize the link between the computed errors and the electron density and hybridization errors of a functional. In essence, these results provide “error bars” for choosing a functional for the creation of high-accuracy, high-throughput datasets as well as avenues for the development of XC functionals with enhanced performance, thereby enabling the accelerated discovery and design of new materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Inelastic Neutron Scattering Data for Ba₃Zn(Ru₀.₁Sb₁.₉)O₉

This dataset contains inelastic neutron scattering measurements on the magnetically dilute compound Ba₃Zn(Ru₀.₁Sb₁.₉)O₉, collected at the Spallation Neutron Source using the Cold Neutron Chopper Spectrometer (CNCS) and the SEQUOIA Fine-Resolution Fermi Chopper Spectrometer. The sample consists of nominally 5% magnetic Ru⁵⁺ ions (S = 3/2) randomly substituted into a diamagnetic Sb⁵⁺ matrix. Measurements were performed at base temperature (2–5 K) and 300 K using multiple incident energies (1.00, 3.32, 12.0, and 100 meV) to resolve magnetic excitations from isolated monomers and small Ru clusters (dimers, trimers, etc.). The dataset includes raw event-mode files, momentum- and energy-resolved spectra, and supporting metadata for instrument configuration, sample environment, and reduction parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Towards automating structural discovery in scanning transmission electron microscopy *

Abstract Scanning transmission electron microscopy is now the primary tool for exploring functional materials on the atomic level. Often, features of interest are highly localized in specific regions in the material, such as ferroelectric domain walls, extended defects, or second phase inclusions. Selecting regions to image for structural and chemical discovery via atomically resolved imaging has traditionally proceeded via human operators making semi-informed judgements on sampling locations and parameters. Recent efforts at automation for structural and physical discovery have pointed towards the use of ‘active learning’ methods that utilize Bayesian optimization with surrogate models to quickly find relevant regions of interest. Yet despite the potential importance of this direction, there is a general lack of certainty in selecting relevant control algorithms and how to balance a priori knowledge of the material system with knowledge derived during experimentation. Here we address this gap by developing the automated experiment workflows with several combinations to both illustrate the effects of these choices and demonstrate the tradeoffs associated with each in terms of accuracy, robustness, and susceptibility to hyperparameters for structural discovery. We discuss possible methods to build descriptors using the raw image data and deep learning based semantic segmentation, as well as the implementation of variational autoencoder based representation. Furthermore, each workflow is applied to a range of feature sizes including NiO pillars within a La:SrMnO 3 matrix, ferroelectric domains in BiFeO 3 , and topological defects in graphene. The code developed in this manuscript is open sourced and will be released at github.com/nccreang/AE_Workflows .

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Toluene Adsorption and TPD

Raw data for toluene adsorption and TPD experiments on two different adsorbents using a custom flow-through, bench-top reactor capable of controlling gas compositions and temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Super-resolution model for overlapping peak detection and improved spatial resolution in high-energy diffraction microscopy

Reconstruction quality in Far-field High-Energy Diffraction Microscopy (FF-HEDM) is limited by the spatial resolution of area detectors and the frequent occurrence of overlapping diffraction spots. To address these challenges, we developed a super-resolution (SR) framework using convolutional neural networks (CNNs) to recreate 2D diffraction peaks at up to ×8 resolution from raw detector data. A specialized simulation tool was created to generate synthetic training datasets with varying degrees of peak overlap. Integrated into the Microstructural Imaging using Diffraction Analysis Software (MIDAS), the SR model improves the spatial accuracy and precision of 3D grain reconstruction by an order of magnitude. This approach provides a robust solution for investigation of complex micromechanical states and material classes where the analysis is limited by the presence of overlapping peaks. Furthermore, the methodology developed here can potentially be extended to other techniques that require sub-pixel accuracy for high-fidelity data analysis.

High-energy diffraction microscopy↗
DOE OSTI2020

Wet and dry plastic deposition data for western US National Atmospheric Deposition Program sites (2017-2019)

Raw plastic counts and calculated plastic deposition rates for 11 National Atmospheric Deposition Program (NADP) sites in the western USA recorded from 2017-2019. Samples were collected to determine plastic deposition rates in remote locations and identify the potential sources of plastic to the atmosphere. Samples were collected using an Aerochem Metrics Wet and Dry sampler. Wet deposition refers to the material retained on a 0.45-micron filter. Dry deposition refers to the dry only deposition collected using a Dry Side Insert (DSI) (Brahney et al. 2020). Plastics are identified as either fibers or particles (includes small colored films). Wet deposition rates are recorded weekly and dry plastic deposition rates are based on monthly sampling intervals. Sites included are Grand Canyon National Park (AZ03), Joshua Tree National Park (CA67), Rocky Mountain National Park (CO98), Niwot Ridge (CO02), Ashley National Forest (UT95), East River SFA (CO10)), Craters of the Moon National Park (ID03), Great Basin National Park (NV05), Canyonlands National Park (UT09), Bryce Canyon Nationa Park (UT99), and Wind River Range (WY06). Data collection is being published in collaboration with the Department of Energy's research project, "Constraining physical understanding of aerosol loading, biogeochemistry, and snowmelt hydrology from hillslope to watershed scale in the East River Scientific Focus Areas.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Data Report: TurboWave I and II Data Release

The TurboWave I and II infrasound campaigns were conducted to examine short term variability in acoustic propagation at local and regional distances. The tests were conducted in nearly co-located regions at the Energetic Materials Research and Testing Center in Socorro, NM between 2019 and 2020 and recorded across a variety of acoustic microbarometer sensors. This report details the waveform data recorded from the experiment and coincides with data archival at the Incorporated Research Institutions for Seismology. The report includes a description of the experiment along with the types of data and instruments. The data release includes raw waveform data as well as metadata information.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Neutron Coincidence Measurements of Uranium-233 Oxide

Renewed international interest in thorium-fueled advanced reactors has challenged the safeguards community to address future proliferation concerns. Thorium-based technology presents many benefits but does not eliminate the proliferation risks associated with producing and processing fissile material. A byproduct of thorium-fueled reactors is uranium-233, which is classified as a direct-use material. As a result, the development of new or improved methods to characterize and measure materials containing 233U must mirror the pace of development of reactors and facilities that produce such material. Research is underway to assess, develop, and test approaches for safeguarding nuclear materials within the thorium fuel cycle. Neutron signatures from the nondestructive assay (NDA) of materials containing 233U are being quantified to inform the potential characterization of these materials. Using a traditional neutron coincidence counter and a series of well-documented 233U oxide samples, initial measurements have been made to assess the feasibility of 233U characterization and discrimination from other uranium isotopes, primarily 235U, using a combination of measurement techniques and analysis methods. Data acquisition is performed in list mode, allowing for a variety of analyses to be performed on the raw data that is not available using traditional shift register technology. Measurements were performed in passive and active configurations to quantify the strength of signal and to validate simulations in support of this work. This paper presents and discusses the results of the initial measurements of 233U oxide performed at Oak Ridge National Laboratory.

Lockhart, Madeline↗