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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 145 records · Page 8

Web-based Preprocessing and Visualization of 3D FIB Tomography Data for Nuclear Fuel Characterization

Three-dimensional (3D) focused ion beam (FIB) tomography enables reconstruction of internal nuclear fuel features that can't be fully evaluated through surface imaging alone. This capability supports characterization of fuel constituents and defects under thermal and irradiation conditions relevant to microreactor development. However, large tomography datasets can create data-handling, loading, and visualization challenges, especially when image-stack preparation and file conversion must be completed with separate tools. The Computational Ultraspatial Tomography Toolkit for High-Resolution Object Analysis Tools (CUTTRHOAT) is an open-source web application being developed to display FIB tomography datasets available through the Nuclear Research Data System (NRDS). The current alpha version requires prepared HDF5 datasets and has limited integrated data-preparation capabilities. This project improves CUTTHROAT by adding dataset-folder selection, automatic input detection, dataset scanning, missing-slice identification, blank-slice insertion, and image-stack-to-HDF5 conversion. Two applications will be compared: the baseline CUTTHROAT alpha workflow and the updated application containing the integrated data-handling and preprocessing functions. Evaluation will consider dataset detection accuracy, conversion success, loading time, rendering responsiveness, application stability, and user interaction. Preliminary results demonstrate successful loading of existing HDF5 files and converted image stacks, while testing also identified performance reductions caused by excessive blank-slice generation. The updated workflow reduces reliance on external preparation tools and supports more direct movement from image stacks to color-code 3D visualization. Future work includes refining missing-slice handling, integrating additional preprocessing functions, like a denoising feature, parsing TIFF metadata for automatic voxel scaling, and adding manual X, Y, and Z voxel-spacing inputs for PNG and JPEG.

36 - MATERIALS SCIENCE↗

GSAS Tools

SAND2023-06684O GSAS Tools is a web application that manages user access to modeling and simulation tools and promotional material. This software, which is a spiking neural network (SNN) simulator, represents an SNN as a graph of stochastic differential equations and simulates the time-evolution of these equations. It has the capability of reading inputs from file and writing outputs to file, and generally supports experimentation, analysis, and algorithm development using SNNs. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Noel, Todd↗

Phosphoproteomics Modifications in Women with Rheumatoid Arthritis─Application of Web-Based Software to Enhance Data Visualization

Individuals with rheumatoid arthritis (RA) are at increased risk of functional disability, cardiovascular disease, and obesity, all of which are influenced by dysregulated skeletal muscle. Here, this pilot study aims to identify phosphoproteomics changes in RA skeletal muscle and visualize modifications through development of a web-based app designed to promote user-friendly data interpretation and visualization. NanoLC–MS/MS analysis was performed on vastus lateralis biopsies from three women with RA and matched healthy controls. Differential analysis was performed using the Limma R package. Kinase substrate enrichment analysis (KSEA) predicted changes in kinase activity. RA muscle displayed 35 upregulated and 60 downregulated phosphosites, including the cytoskeletal proteins TTN (Ser33201, Ser33013, Ser20925), NEB (Ser2219, Thr254, Ser33013, Ser20925), FLNA (Ser1459), and LASP1 (Ser146). Compared to healthy controls, KSEA predicted decreased activity of several kinases in RA muscle, including PRKACA and CDKs. All such changes were visualized by use of our web-based app. Overall, phosphoproteome analysis reveals signaling alterations in RA skeletal muscle linked to cytoskeletal proteins, representing candidate disease biomarkers; these modifications can be explored through use of our web-based software.

phosphoproteomics↗

pnnl/parking

Commercial Parking Application is a web-based application that alerts delivery drivers in real time to available parking spaces near their destinations. Parking availability can be viewed on a map in real-time, using sensor data supplied by external services. The app can be viewed with a web browser on a mobile device or PC. Currently the app supports connections to real time sensors from Lacuna, Fybr, Cleverciti, and Automotus

Bleeker, Amelia↗

Web-based methods for X-ray and photoelectron spectroscopies

We present a simplified web-based application for simulating x-ray and photoelectron spectra of transition metals, built around the notion that web-based applications lower the bar for novice users. The application provides a simple interface to simulate x-ray absorption spectroscopy, resonant inelastic x-ray scattering, and angle-resolved photoemission spectroscopy, incorporating the effects of local electronic interactions, which give rise to multiplets, spin-orbit coupling, crystal field effects, and ligand hybridization/charge transfer. Results can be obtained that highlight the key role of photon polarization.

36 MATERIALS SCIENCE↗

The Integration and Mapping of an Open-Source National Well Resource to Inform Geologic Carbon Storage Site Selection and Risk Prevention: The CO2-Locate Database

Geologic carbon storage (GCS) offers a way to capture and permanently store CO₂ from fossil fuel operations in underground geologic structures, aiding in the transition to a carbon-neutral energy economy. However, CO₂ injection sites can experience gas leakage through existing wells that penetrate storage reservoirs, making knowledge of well locations and characteristics crucial for permitting, infrastructure reusability, and risk assessment in GCS. Currently, public wellbore data from state, federal, and tribal entities are inconsistent and fragmented, with gaps and redundancies. To address this, the National Energy Technology Laboratory (NETL) developed CO2-Locate, an open-source, geospatial database and online application. CO2-Locate integrates over 50 data sources from federal, state, and tribal entities, creating a standardized national well database. Funded by the Bipartisan Infrastructure Law, the database is publicly available through the Energy Data eXchange (EDX) and viewable via the CO2-Locate web mapping application. This tool allows users to query, filter, and visualize well data to support GCS planning, permitting, and risk assessments. This presentation covers the methods used to create CO2-Locate, including data acquisition, processing, attribute mapping, and integration, much of which is automated for future updates. The web mapping application and its role in GCS site selection will also be discussed.

Tetteh, Daniel A.↗

Remote operation of the DIII-D National Fusion Facility

Abstract Full remote scientific operation of the DIII-D National Fusion Facility is now possible through significant advances in the computer science hardware and software infrastructure made over the last decade. Capabilities around information visualization, data movement, and communication have all been enhanced. The level of capability deployed to remotely operate DIII-D required an infrastructure advancement over what had previously been achieved in the fusion community. The large quantity of real-time data that is automatically displayed on DIII-D’s control room screens can now be visualized by remote participants via web-based applications. New audio/video solutions using the VoIP and instant messaging application Discord have been implemented to mimic the dynamic and ad-hoc scientific conversations that are critical in successfully operating an experimental campaign. Discord’s ability for a user to rapidly move between audio channels, text with images, and share screens is a significant enhancement over traditional videoconferencing tools. In addition, multiple combinations of broadcast audio are made available via a web-based application to allow remote participants to simultaneously listen to general announcements/sounds while conducting their own specific conversations. Secure methodologies have been put into place to allow remote control of hardware including DIII-D’s plasma control system application. Secure methods also included the ability of the on-site team to closely coordinate their work with remote team members which has been enhanced through extensions to the wireless network and the use of tablet computers for audio/video/screen sharing. However, no amount of software can fully replace the need for ‘hands on hardware.’ This infrastructure was severely stress tested during the COVID-19 pandemic where occupancy of the DIII-D control room was restricted. Operational efficiency during the pandemic, measured in discharges per hour, remained high (3.8 ± 0.8) compared to values obtained pre-pandemic (3.7 ± 0.8).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Controls Status of Fermilab's PIP-II Project

The Fermilab Proton Improvement Project II (PIP-II) is building a new Super Conducting Linear Accelerator (SCL) accelerating protons to 800 MeV for injection into the rest of the FNAL beam complex. Key progress since the last status report given at ICALEPCS includes the adoption of modern DevOps practices with continuous integration and GitOps-based deployments, commissioning of EPICS-based systems at the Cryomodule Test Facility, and integration of a Virtual Accelerator framework for application development ahead of installation. In parallel, web-based applications using Dart and Flutter have matured, providing secure, unified access to both EPICS and legacy ACNET data. Data acquisition and timing systems have also evolved. This paper presents the current state of controls, emphasizing these recent developments and outlining upcoming milestones as PIP-II approaches commissioning of its cryoplant in 2026 and the Warm Front End in 2027.

Crisp, D. B. [Fermilab]↗

Efficient computational design of two-dimensional van der Waals heterostructures: Band alignment, lattice mismatch, and machine learning

Here, we develop a computational database, website applications (web-apps), and machine-learning (ML) models to accelerate the design and discovery of two-dimensional (2D) heterostructures. Using density functional theory (DFT) based lattice parameters and electronic band energies for 674 nonmetallic exfoliable 2D materials, we generate 226 779 possible bilayer heterostructures. We classify these heterostructures into type-I, -II, and -III systems according to Anderson’s rule, which is based on the relative band alignments of the noninteracting monolayers. We find that type II is the most common and type III the least common heterostructure type. We subsequently analyze the chemical trends for each heterostructure type in terms of the Periodic Table of constituent elements. The band alignment data can also be used for identifying photocatalysts and high-work-function 2D metals for contacts. We validate our results by comparing them to experimental data as well as hybrid-functional predictions. Additionally, we carry out DFT calculations of a few selected systems (MoS 2 /WSe 2 , MoS 2 /h-BN, and MoSe 2 /CrI 3 ), to compare the band-alignment description with the predictions from Anderson’s rule. We develop web-apps to enable users to virtually create combinations of 2D materials and predict their properties. Additionally, we use ML tools to predict band-alignment information for 2D materials. The web-apps, tools, and associated data will be distributed through the JARVIS-HETEROSTRUCTURE website. Our analysis, results, and the developed web-apps can be applied to the screening and design applications, such as finding alternative photocatalysts, photodetectors, and high-work-function (WF) 2D-metal contacts.

2-dimensional systems↗

EXFOR-NSR PDF database: a system for nuclear knowledge preservation and data curation

Current needs of nuclear science and technology include complete, well-documented, and easily verifiable nuclear data. The complete data records require supporting nuclear bibliography, presently stored in dedicated libraries, in addition, to actual data. Additionally, experimental nuclear reaction data (EXFOR) and Nuclear Science References (NSR) databases contain compilations based on primary (journals) and secondary (conference proceedings, theses, preprints, etc.) publications, and data received from authors via private communications. The secondary library materials and private communications often represent a bottleneck for nuclear data verification, compilation, evaluation, and dissemination activities. To address this issue, bibliographic materials were scanned into PDF (Portable Document Format) files and uploaded in a relational database. The traditional scope of nuclear databases that includes meta-data and numbers derived from data in specialized formats was broadened to accommodate the large volumes of original nuclear data publications. The complete PDF publication files were stored in a relational database as Binary Large OBjects (BLOB). This unique collection of nuclear data compilations and supporting publications generate many opportunities for machine learning applications. The Web interfaces for authorized and public access to the EXFOR-NSR nuclear publications database were implemented at the U.S. National Nuclear Data Center, https://www.nndc.bnl.gov/ and IAEA Nuclear Data Section, https://www-nds.iaea.org/ . The current system is complementary to major nuclear libraries and narrowly focused on nuclear data compilation and evaluation procedures. The contents of the PDF database, details of implementation, and Web interface are described. New capabilities for data curation, knowledge preservation, worldwide dissemination, and natural language processing (NLP) applications are given.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A web-based decision support system for collaborative mitigation of multiple water-related hazards using serious gaming

The paper presents a web-based application developed as a medium for executing a serious game to enhance multi-jurisdictional collaborative planning and decision making for mitigation of multiple hazards related to water (i.e., floods, soil erosions, water quality). The gaming application is integrated into the Iowa Watershed Decision Support System (IoWaDSS) designed to serve as a comprehensive multi-sectoral data repository along with the simulation results of process modeling to educate and inform communities on the status of their watersheds during extreme conditions. The interactive serious gaming application was devised to encourage public engagement, facilitate communication and positive relationship between watershed communities, and make the decision process more attractive and transparent for the stakeholders. The web environment offers easily-accessible, user-friendly interfaces that match the skills and knowledge level of a non-technical user. Developed with adaptive design and flexible architecture, the gaming application is generalizable and extendable to support hazard mitigation in other watersheds.

54 ENVIRONMENTAL SCIENCES↗

Software Requirements for a Sample Check-in application in CBRNResponder

In 2021, functional area drills were held that focused on field sample collection and custody transfer at the sample control hotline for the Radiological Assistance Program (RAP) Consequence Management (CM) program. The overarching goal of these drills were to evaluate the current CM processes using the CBRNResponder mobile and web-based applications. There were several needs identified to improve CM processes and to stream/transfer data across multiple devices with and without internet: (1) A sample check-in process is needed to streamline current processes to reduce errors and create efficiencies, (2) the sample check-in application needs to be deployed as a mobile application and on the browser versions when on-line, and (3) the sample check-in process needs to function in an environment with internet connections and also in a standalone mode when internet is not available.

61 RADIATION PROTECTION AND DOSIMETRY↗

Quantifying leaf symptoms of sorghum charcoal rot in images of field‐grown plants using deep neural networks

Abstract Charcoal rot of sorghum (CRS) is a significant disease affecting sorghum crops, with limited genetic resistance available. The causative agent, Macrophomina phaseolina (Tassi) Goid, is a highly destructive fungal pathogen that targets over 500 plant species globally, including essential staple crops. Utilizing field image data for precise detection and quantification of CRS could greatly assist in the prompt identification and management of affected fields and thereby reduce yield losses. The objective of this work was to implement various machine learning algorithms to evaluate their ability to accurately detect and quantify CRS in red‐green‐blue images of sorghum plants exhibiting symptoms of infection. EfficientNet‐B3 and a fully convolutional network emerged as the top‐performing models for image classification and segmentation tasks, respectively. Among the classification models evaluated, EfficientNet‐B3 demonstrated superior performance, achieving an accuracy of 86.97%, a recall rate of 0.71, and an F1 score of 0.73. Of the segmentation models tested, FCN proved to be the most effective, exhibiting a validation accuracy of 97.76%, a recall rate of 0.68, and an F1 score of 0.66. As the size of the image patches increased, both models’ validation scores increased linearly, and their inference time decreased exponentially. This trend could be attributed to larger patches containing more information, improving model performance, and fewer patches reducing the computational load, thus decreasing inference time. The models, in addition to being immediately useful for breeders and growers of sorghum, advance the domain of automated plant phenotyping and may serve as a foundation for drone‐based or other automated field phenotyping efforts. Additionally, the models presented herein can be accessed through a web‐based application where users can easily analyze their own images.

Gonzalez, Emmanuel M.↗

Supporting cost-effective watershed management strategies for Chesapeake Bay using a modeling and optimization framework

Extensive efforts to adaptively manage nutrient pollution rely on Chesapeake Bay Program’s (Phase 6) Watershed Model, called Chesapeake Assessment Scenario Tool (CAST), which helps decision-makers plan and track implementation of Best Management Practices (BMPs). We describe mathematical characteristics of CAST and develop a constrained nonlinear BMP-subset model, software, and visualization framework. This represents the first publicly available optimization framework for exploring least-cost strategies of pollutant load control for the United States’ largest estuary. The optimization identifies implementation options for a BMP subset modeled with load reduction effectiveness factors, and the web interface facilitates interactive exploration of >30,000 solutions organized by objective, nutrient control level, and for ~200 counties. We assess framework performance and demonstrate modeled cost improvements when comparing optimization-suggested proposals with proposals inspired by jurisdiction plans. Stakeholder feedback highlights the framework’s current utility for investigating cost-effective tradeoffs and its usefulness as a foundation for future analysis of restoration strategies.

54 ENVIRONMENTAL SCIENCES↗

Cosmic rays in molecular clouds probed by H 2 rovibrational lines

Context. Low-energy cosmic rays (<1 TeV) play a fundamental role in the chemical and dynamical evolution of molecular clouds, as they control the ionisation, dissociation, and excitation of H 2 . Their characterisation is therefore important both for the interpretation of observations and for the development of theoretical models. However, the methods used so far for estimating the cosmic-ray ionisation rate in molecular clouds have several limitations due to uncertainties in the adopted chemical networks. Aims. Here, we refine and extend a previously proposed method to estimate the cosmic-ray ionisation rate in molecular clouds by observing rovibrational transitions of H 2 at near-infrared wavelengths, which are mainly excited by secondary cosmic-ray electrons. Methods. Combining models of interstellar cosmic-ray propagation and attenuation in molecular clouds with the rigorous calculation of the expected secondary electron spectrum and updated electron-H 2 excitation cross sections, we derive the intensity of the four H 2 rovibrational transitions observable in cold dense gas: (1—0)O(2), (1—0)Q(2), (1—0)S(0), and (1—0)O(4). Results. The proposed method allows the estimation of the cosmic-ray ionisation rate for a given observed line intensity and H 2 column density. We are also able to deduce the shape of the low-energy cosmic-ray proton spectrum impinging upon the molecular cloud. In addition, we present a look-up plot and a web-based application that can be used to constrain the low-energy spectral slope of the interstellar cosmic-ray proton spectrum. We finally comment on the capability of the James Webb Space Telescope to detect these near-infrared H 2 lines, which will make it possible to derive, for the first time, spatial variation in the cosmic-ray ionisation rate in dense gas. Besides the implications for the interpretation of the chemical-dynamic evolution of a molecular cloud, it will finally be possible to test competing models of cosmic-ray propagation and attenuation in the interstellar medium, as well as compare cosmic-ray spectra in different Galactic regions

79 ASTRONOMY AND ASTROPHYSICS↗

NeuralCubes: Deep Representations for Visual Data Exploration

Visual exploration of large multi-dimensional datasets has seen tremendous progress in recent years, allowing users to express rich data queries that produce informative visual summaries, all in real time. Techniques based on data cubes are some of the most promising approaches. However, these techniques usually require a large memory footprint for large datasets. To tackle this problem, we present NeuralCubes: neural networks that predict results for aggregate queries, similar to data cubes. NeuralCubes learns a function that takes as input a given query, for instance, a geographic region and temporal interval, and outputs the result of the query. The learned function serves as a real-time, low-memory approximator for aggregation queries. Our models are small enough to be sent to the client side (e.g. the web browser for a web-based application) for evaluation, enabling data exploration of large datasets without database/network connection. Here, we demonstrate the effectiveness of NeuralCubes through extensive experiments on a variety of datasets and discuss how NeuralCubes opens up opportunities for new types of visualization and interaction.

97 MATHEMATICS AND COMPUTING↗