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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 595 records · Page 33

Assessing Energy Infrastructure Devices for Vulnerabilities

Industrial control systems prove to be vital to the health and security of the nation in our critical infrastructure. Critical infrastructure includes the most foundational systems to support modern civilization which includes water and wastewater systems, communications, and the electricity we use to name a few sectors. However, these devices' overall composition remains largely unknown and are untested from a cyber security perspective. As part of the Cyber Testing for Resilient Industrial Control Systems (CyTRICS) program, I analyzed one such energy infrastructure device to better understand how it functions, what hardware and software components are present within it, and assess it for security vulnerabilities. To achieve this, I reverse engineered binary files using Ghidra to understand system functionality and learned more about how to collaborate with other researchers on a shared Ghidra project. I learned more about how web sockets function and how to interact with them through Python to test if they are secure or not. This work led me to assess possible vulnerabilities in this device and provide a better understanding of its composition and function, which are essential to INL's mission of securing our nation's energy infrastructure.

99 - GENERAL AND MISCELLANEOUS↗

GAT (Grid Analysis Toolkit) [SWR-25-41]

Grid Analysis Toolkit (GAT) is a unified Python API and plotting for power system PCM and CEM results (Sienna, PLEXOS, ReEDS™). It's a toolkit for wrangling data for Bulk Grid Dispatch and Transmission Analysis. GAT aims to provide simplified access to PCM and CEM results in a standard format while also allowing raw data access to underlying datasets specific to the model. This software can also be found on PyPI at For plotting, GAT defaults to standard National Lab of the Rockies (NLR) color schemes and standard styles while allowing customization.

Webb, Micah [National Laboratory of the Rockies (N↗

Predicting metabolic modules in incomplete bacterial genomes with MetaPathPredict

The reconstruction of complete microbial metabolic pathways using ‘omics data from environmental samples remains challenging. Computational pipelines for pathway reconstruction that utilize machine learning methods to predict the presence or absence of KEGG modules in incomplete genomes are lacking. Here, we present MetaPathPredict, a software tool that incorporates machine learning models to predict the presence of complete KEGG modules within bacterial genomic datasets. Using gene annotation data and information from the KEGG module database, MetaPathPredict employs deep learning models to predict the presence of KEGG modules in a genome. MetaPathPredict can be used as a command line tool or as a Python module, and both options are designed to be run locally or on a compute cluster. Benchmarks show that MetaPathPredict makes robust predictions of KEGG module presence within highly incomplete genomes.

59 BASIC BIOLOGICAL SCIENCES↗

CST: A Tool for Optimizing the Efficiency and Effectiveness of Static-Code Analysis Tools

Static Code Analysis (SCA) is a vital component of NASA IV&V’s mission assurance for safety-critical software as it reduces the likelihood of software-induced hazards impacting mission success. Static Code Analysis achieves this by identifying hazards that may not have been otherwise detectable by typical code reviews or other testing. Using SCA tools, however, can be intimidating due to steep learning curves, especially considering tool performance and defect coverage varies greatly. Because of this variation amongst SCA tools, understanding which tools support certain defects and which do not, as well as understanding how to run an analysis based on steps that are unique to each tool, can be difficult to both new and experienced analysts alike. To mitigate this, the SCAWG or the IV&V Static Code Analysis Working Group, created the SCA Checker Taxonomy and Starting Point Profiles. The Checker Selection Tool (CST) incorporates these two SCAWG products into an interactive tool which allows the user to: select organized categories of defects they would like the SCA tools to discover, select default checkers depending on their mission type (e.g. flight), and configure multiple SCA tools at once. C/C++, Java, and Python defect checkers from four common SCA tools were utilized in this iteration of the CST. This iteration also includes the addition of training, SCA tool specific help, and taxonomy guide links, into its design to help users new to Static Code Analysis learn how to perform SCA more efficiently. The CST has been subject to beta testing by experienced static code analysts from the SCAWG to ensure a usable and accurate final product. The implications of the CST in the mission assurance of NASA safety-critical software are profound, as the CST can help identify and reduce false positives and false negatives, fundamentally improving overall SCA efficiency and accuracy.

static code analysis↗

Web Based Beamline Control System (Bluesky Web) v0.1.0

Bluesky Web is a web based interface that provides beam line controls to the end user. It allows users to issue commands to various physical devices at a beam line end station like motors and cameras. It utilizes an open source Python library (Bluesky) as the controller. It uses Bluesky to also allow for running "plans" or a sequence of device operations that can be used when running an experiment. This program is different from other controls technologies because it is intended to be open source and can be accessed from a web browser, as opposed to other paid software that is run as a stand-alone application on a computer.

De Leon, Seij↗

SetEnvironment

SAND2025-11727O SetEnvironment software is a utility library module that uses ConfigParserEnhanced, also a library module, to read specifically formatted .ini files for setting the user's environment. It creates a consistent environment with an expected set of variables and module loads, which is important for testing. Environment variable operations include set, append, prepend, unset, remove, and others and uses the Python os.environ methods. The module operations are performed with a wrapper. Systems using the Lmod package can generate a module function, which can also perform module operations specified in the text file. 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.

McLendon III, William↗

Millinocket Stream, Maine Velocity and Bathymetry Measurements 2021

ORPC staff collected site characterization data on Millinocket Stream, downstream of the hydropower station at the former Great Northern Paper Mill site in Millinocket, Maine. Bathymetry was collected with a SonTek M9 using HydroSurveyor software package and velocity was collected using the SonTek M9 RiverSurveyor software package. Bathymetry only was collected on 9/30/21. Bathymetry and velocity were collected on 10/21/21.

16 TIDAL AND WAVE POWER↗

Extending XACC for Quantum Optimal Control

Quantum computing vendors are beginning to open up application programming interfaces for direct pulse-level quantum control. With this, programmers can begin to describe quantum kernels of execution via sequences of arbitrary pulse shapes. This opens new avenues of research and development with regards to smart quantum compilation routines that enable direct translation of higher-level digital assembly representations to these native pulse instructions. In this work, we present an extension to the XACC system-level quantum-classical software framework that directly enables this compilation lowering phase via user-specified quantum optimal control techniques. This extension enables the translation of digital quantum circuit representations to equivalent pulse sequences that are optimal with respect to the backend system dynamics. Our work is modular and extensible, enabling third party optimal control techniques and strategies in both C++ and Python. We demonstrate this extension with familiar gradient-based methods like gradient ascent pulse engineering (GRAPE), gradient optimization of analytic controls (GOAT), and Krotov's method. Our work serves as a foundational component of future quantum-classical compiler designs that lower high-level programmatic representations to low-level machine instructions.

Nguyen, Thien↗

IGRINS RV: A Precision Radial Velocity Pipeline for IGRINS Using Modified Forward Modeling in the Near-infrared

Application of the radial velocity (RV) technique in the near-infrared is valuable because of the diminished impact of stellar activity at longer wavelengths, making it particularly advantageous for the study of late-type stars but also for solar-type objects. In this paper, we present the IGRINS RV open-source python pipeline for computing infrared RV measurements from reduced spectra taken with IGRINS, an R ≡ λ/Δλ ∼ 45,000 spectrograph with simultaneous coverage of the H band (1.49–1.80 μm) and K band (1.96–2.46 μm). Using a modified forward-modeling technique, we construct high-resolution telluric templates from A0 standard observations on a nightly basis to provide a source of common-path wavelength calibration while mitigating the need to mask or correct for telluric absorption. Telluric standard observations are also used to model the variations in instrumental resolution across the detector, including a yearlong period when the K band was defocused. Without any additional instrument hardware, such as a gas cell or laser frequency comb, we are able to achieve precisions of 26.8 m s{sup −1} in the K band and 31.1 m s{sup −1} in the H band for narrow-line hosts. These precisions are empirically determined by a monitoring campaign of two RV standard stars, as well as the successful retrieval of planet-induced RV signals for both HD 189733 and τ Boo A; furthermore, our results affirm the presence of the Rossiter–McLaughlin effect for HD 189733. The IGRINS RV pipeline extends another important science capability to IGRINS, with publicly available software designed for widespread use.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

XMOS XC-2 Development Board for Mechanical Control and Data Collection

The scanning microwave limb sounder (SMLS) will use technological improvements in low-noise mixers to provide precise data on the Earth s atmospheric composition with high spatial resolution. This project focuses on the design and implementation of a realtime control system needed for airborne engineering tests of the SMLS. The system must coordinate the actuation of optical components using four motors with encoder readback, while collecting synchronized telemetric data from a GPS receiver and 3-axis gyrometric system. A graphical user interface for testing the control system was also designed using Python. Although the system could have been implemented with an FPGA(fieldprogrammable gate array)-based setup, a processor development kit manufactured by XMOS was chosen. The XMOS architecture allows parallel execution of multiple tasks on separate threads, making it ideal for this application. It is easily programmed using XC (a subset of C). The necessary communication interfaces were implemented in software, including Ethernet, with significant cost and time reduction compared to an FPGA-based approach. A simple approach to control the chopper, calibration mirror, and gimbal for the airborne SMLS was needed. The XMOS board allows for multiple threads and real-time data acquisition. The XC-2 development kit is an attractive choice for synchronized, real-time, event-driven applications. The XMOS is based on the transputer microprocessor architecture developed for parallel computing, which is being revamped in this new platform. The XMOS device has multiple cores capable of running parallel applications on separate threads. The threads communicate with each other via user-defined channels capable of transmitting data within the device. XMOS provides a C-based development environment using XC, which eliminates the need for custom tool kits associated with FPGA programming. The XC-2 has four cores and necessary hardware for Ethernet I/O.

Jarnot, Robert F.↗

Scoping Study of Effects on the Advanced Test Reactor’s Center Flux Trap Due to Various Loadings in the H and Inner A Test Positions

This study determined the effects experienced by the In-Pile Tube, of the Advanced Test Reactor’s center flux trap, due to various loading configurations of the H and Inner A positions. The effects of concern included: the axial profile of the linear heat generation rate of each fuel rodlet, the axial flux shape, and spectrum, in the fuel, and cladding, of each rodlet, and the total fission heating rate of the entire In-Pile Tube. Additionally, the reactivity worth of each configuration, relative to an ATR configuration with water filling all concerning test positions, was determined. The test positions were filled with commonly used test specimens, backup test specimens, and homogeneous substances. The study was performed using the modeling software MCNP6.2.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

ppdx : Automated modeling of protein–protein interaction descriptors for use with machine learning

This paper describes ppdx, a python workflow tool that combines protein sequence alignment, homology modeling, and structural refinement, to compute a broad array of descriptors for characterizing protein–protein interactions. The descriptors can be used to predict various properties of interest, such as protein–protein binding affinities, or inhibitory concentrations (IC 50 ), using approaches that range from simple regression to more complex machine learning models. The software is highly modular. It supports different protocols for generating structures, and 95 descriptors can be currently computed. More protocols and descriptors can be easily added. The implementation is highly parallel and can fully exploit the available cores in a single workstation, or multiple nodes on a supercomputer, allowing many systems to be analyzed simultaneously. As an illustrative application, ppdx is used to parametrize a model that predicts the IC 50 of a set of antigens and a class of antibodies directed to the influenza hemagglutinin stalk.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CHESS 2025: Leaf Area Index (LAI) for meadow, shrub, tree, and understory vegetation

This dataset contains Leaf Area Index (LAI) measurements made as part of the Colorado Headwaters Ecological Spectroscopy Study (CHESS) during June and July of 2025. Data were collected in the Upper Gunnison Basin, Colorado, across three study domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). Field observations of LAI were collected within 72 hours of airborne data collection by the National Ecological Observatory Network’s Aerial Observation Platform (NEON AOP). The NEON AOP collected waveform LiDAR (Light Detection and Ranging) and imaging spectrometer data in 426 spectral bands from the visible to shortwave infrared. LAI measurements were collected using the LICOR LAI-2200C Plant Canopy Analyzer following protocols outlined in the instrument manual (LI-COR 2019). Sampling targeted four distinct vegetation types: meadows, shrubs, trees, and aspen forest understory. We have archived data separately by site type because different field methods were used for each. At meadow sites, measurements were made at the four corners of 1m x 1m plots, with the instrument moving inward toward the center of the plot. At shrub sites, we measured the canopies of individual shrubs. At tree sites, we made measurements within a 10m x 10m subplot centered around a focal tree, with 30 observations taken on a regular grid. At aspen understory sites, we measured overstory trees following the tree protocol and understory herbaceous vegetation following the meadow protocol. All measurements included above-canopy (A) and below-canopy (B) readings, with specific protocols for scattering correction measurements in direct-sun conditions. Data were processed using the R package `rlai` (Worsham 2025). This package includes functions to calculate LAI, gap fraction, apparent clumping factor (Ω), scattering correction, and other canopy metrics. Package contents: Full file descriptions appear in ‘flmd.csv’. Files named according to the convention ‘lai_*_summary_data_cleaned.csv’ contain summary values of LAI, apparent clumping factor (Ωapp), and scattering correction factors for each site. These are the analysis-ready products that most data users will work with. Files named ‘lai_*_metadata_cleaned.csv’ contain additional site-level observations made during field collection. We have also archived intermediate and supplementary data for users who wish to check our processing approach or apply alternative methods. ‘raw_lai_2200C.zip’ contains the raw files as read from the LI-COR instrument, with no processing applied, in TXT format. The zip archive contains subdirectories by site type, which are further subdivided by sampling area. Filenames correspond to the sampling site number. ‘intermediate_results.zip’ contains detailed output from the processing routines, in JSON format. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘scattering_correction_logs.zip’ contains logfiles from the implementation of Kobayashi et al.'s (2013) scattering correction algorithm. The logfiles report values of several parameters at each iteration of the algorithm, as the model converges toward a stable solution. They are intended for users who want to verify scattering correction performance. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘spot_checks.csv’ reports LAI and other values for a small number of files processed with LI-COR FV2200 software (LI-COR 2013) using the same control parameters as in our R-based approach. Additional metadata are provided in a data dictionary describing column names and definitions (dd.csv), and in a file-level metadata file (flmd.csv). All zip files can be expanded with common archive utilities. TXT, CSV, and JSON files can be ingested into R or Python computing environments or read in common text editor utilities. Geospatial information: Geospatial data for mapping measurement site locations are in the files CHESS_polygons_lai_UTM.geojson, CHESS_polygons_shrub_UTM.geojson, and CHESS_polygons_meadow_UTM.geojson in the companion geospatial package for the 2025 CHESS campaign, ‘CHESS 2025: Location data for field observations and sampling’ (Henderson et al., 2026). CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. * Todorov and Worsham are co–first authors.

2018 NEON and 2025 CHESS Campaigns↗

Software Development and Testing Support for the Avionics Systems Telemetry Tool Suite

The Customer Avionics Interface Development and Analysis (CAIDA) team helps to provide modeling and simulation software for the verification of the Launch Control System (LCS). With a new iteration of telemetry tools being developed, extensive work must be done to ensure features are implemented in an efficient manner. The authors worked to develop new functionalities in the telemetry tools, update documentation, and perform various tests on the CAIDA Advanced Telemetry Tool (CATT). This was accomplished with Python through built-in library frameworks. In addition, work needed to be performed to set up a training document for new engineers and interns joining the team in the future. The outcome of this internship was the completion of several new features, unit and functional tests on CATT, thorough documentation, and a developer’s guide to programming under CAIDA.

Negron-Martinez, Antonio Jose↗

GIS-Based Graphical User Interface Tools for Analyzing Solar Thermal Desalination Systems & High-Potential Implementation

This project developed a user-friendly, open-source, software that enables a comparative evaluation of solar thermal desalination technology options and employs geospatial data layers to identify regions of high-potential for solar thermal desalination. This was accomplished by integrating solar models with desalination models and enhancing their utility by providing GIS-based data inputs. The developed Solar Energy Desalination Analysis Tool (SEDAT) enables techno-economical evaluation of desalination technologies and selection of regions with the highest potential for using solar energy to power desalination plants. It simplifies the planning, design, and valuation of solar thermal and solar hybrid desalination systems in the U.S. and worldwide. SEDAT uses Dash for integrating various layers of large volumes of GIS data with Python-based models of solar energy generation and desalination technologies. It derives time-series of energy generation and water production, with details of plant performance and suggestions for improving the solar-desalination coupling. It is a one of-a-kind tool of analysis representing a definitive advancement in the state-of-the-art. Of solar desalination modeling This report summarizes the various phases of the tool’s development, and presents examples of the results.

14 SOLAR ENERGY↗

PyKrev: A Python Library for the Analysis of Complex Mixture FT-MS Data

In this study, we present PyKrev, a Python library for the analysis of complex mixture Fourier transform mass spectrometry (FT-MS) data. PyKrev is a comprehensive suite of tools for analysis and visualization of FT-MS data after formula assignment has been performed. These comprise formula manipulation and calculation of chemical properties, intersection analysis between multiple lists of formulas, calculation of chemical diversity, assignment of compound classes to formulas, multivariate analysis, and a variety of visualization tools producing van Krevelen diagrams, class histograms, PCA score, and loading plots, biplots, scree plots, and UpSet plots. The library is showcased through analysis of hot water green tea extracts and Scotch whisky FT-ion cyclotron resonance-MS data sets. PyKrev addresses the lack of a single, cohesive toolset for researchers to perform FT-MS analysis in the Python programming environment encompassing the most recent data analysis techniques used in the field.

47 OTHER INSTRUMENTATION↗

CEGANN: CRYSTAL EDGE GRAPH ATTENTION NEURAL NETWORK

SF-22-156 Machine learning (ML) models and applications in materials design and discovery typically involve the use of feature representations or descriptors followed by a learning algorithm that maps them to user desired properties of interest. Most popular mathematical formulation-based descriptors are not unique across atomic environments and suffer from transferability issues across different application domains and/or material classes. The CEGANN code provides a unified interface to facilitate material characterization across materials across multiple scales (from atomic to mesoscale) and diverse classes of materials ranging from metals oxides, non-metals, and even hierarchical materials such as zeolites and semi ordered materials such as mesophases. CEGANN implements a Graph Attention Network (GAT) type convolution architecture. The details of network architecture can be found in the paper https://doi.org/10.48550/arXiv.2207.10168. The software comes with pretrained examples and dataset for the classification of the following representative systems: (1) Structure-level representation such as space group (2) Structural dimensionality (e.g., bulk, 2D, clusters etc.) (3) Grain boundary identification (4) Nucleation and growth of a zeolite polymorph (5) Characterization of binary mesophases and their phase transitions (6) Growth of ice. The code is written in python programming language.

CHAN, HENRYT↗

Data processing methods and data acquisition for samples larger than the field of view in parallel-beam tomography

Parallel-beam tomography systems at synchrotron facilities have limited field of view (FOV) determined by the available beam size and detector system coverage. Scanning the full size of samples bigger than the FOV requires various data acquisition schemes such as grid scan, 360-degree scan with offset center-of-rotation (COR), helical scan, or combinations of these schemes. Though straightforward to implement, these scanning techniques have not often been used due to the lack of software and methods to process such types of data in an easy and automated fashion. The ease of use and automation is critical at synchrotron facilities where using visual inspection in data processing steps such as image stitching, COR determination, or helical data conversion is impractical due to the large size of datasets. Here, we provide methods and their implementations in a Python package, named Algotom, for not only processing such data types but also with the highest quality possible. The efficiency and ease of use of these tools can help to extend applications of parallel-beam tomography systems.

36 MATERIALS SCIENCE↗