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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 271 records · Page 15

TU-G-BRA-03: Predicting Radiation Therapy Induced Ventilation Changes Using 4DCT Jacobian Calculations

Purpose: Longitudinal changes in lung ventilation following radiation therapy can be mapped using four-dimensional computed tomography(4DCT) and image registration. This study aimed to predict ventilation changes caused by radiation therapy(RT) as a function of pre-RT ventilation and delivered dose. Methods: 4DCT images were acquired before and 3 months after radiation therapy for 13 subjects. Jacobian ventilation maps were calculated from the 4DCT images, warped to a common coordinate system, and a Jacobian ratio map was computed voxel-by-voxel as the ratio of post-RT to pre-RT Jacobian calculations. A leave-one-out method was used to build a response model for each subject: post-RT to pre-RT Jacobian ratio data and dose distributions of 12 subjects were applied to the subject’s pre-RT Jacobian map to predict the post-RT Jacobian. The predicted Jacobian map was compared to the actual post-RT Jacobian map to evaluate efficacy. Within this cohort, 8 subjects had repeat pre-RT scans that were compared as a reference for no ventilation change. Maps were compared using gamma pass rate criteria of 2mm distance-to-agreement and 6% ventilation difference. Gamma pass rates were compared using paired t-tests to determine significant differences. Further analysis masked non-radiation induced changes by excluding voxels below specified dose thresholds. Results: Visual inspection demonstrates the predicted post-RT ventilation map is similar to the actual map in magnitude and distribution. Quantitatively, the percentage of voxels in agreement when excluding voxels receiving below specified doses are: 74%/20Gy, 73%/10Gy, 73%/5Gy, and 71%/0Gy. By comparison, repeat scans produced 73% of voxels within the 6%/2mm criteria. The agreement of the actual post-RT maps with the predicted maps was significantly better than agreement with pre-RT maps (p<0.02). Conclusion: This work validates that significant changes to ventilation post-RT can be predicted. The differences between the predicted and actual outcome are similar to differences between repeat scans with equivalent ventilation. This work was supported by NIH grant CA166703 and a Pilot Grant from University of Iowa Carver College of Medicine.

60 APPLIED LIFE SCIENCES↗

PALS Python v0.1.0

This is a Python implementation for the Particle Accelerator Lattice Standard (PALS). To define the PALS schema, Pydantic is used to map to Python objects, perform automatic validation, and serialize/deserialize data classes to/from many modern file formats. Various modern file formats (e.g., YAML, JSON, TOML, XML, etc.) are supported, which makes the implementation of the schema-following files in any modern programming language easy (e.g., Python, Julia, C++, LUA, Javascript, etc.). Here, we do Python.

Huebl, Axel [Lawrence Berkeley National Laboratory↗

EnergyPlus Model Context Protocol Server (EnergyPlus-MCP) v0.1

EnergyPlus-MCP is the first open-source Model Context Protocol server specifically designed for EnergyPlus building energy simulation. This innovative software enables AI assistants and other applications to interact programmatically with EnergyPlus through a standardized, secure interface, eliminating traditional technical barriers in building energy modeling. The software provides specialized tools across five functional domains: server management, model configuration and loading, comprehensive building component inspection, systematic model modification, and simulation execution with results visualization. Key features include automated HVAC system discovery and topology mapping, advanced schedule analysis, intelligent model validation, and interactive visualization capabilities. EnergyPlus-MCP's layered architecture ensures robust separation between protocol communication and domain expertise, enabling scalable deployment across organizations, educational institutions, and research teams. Unlike direct LLM approaches that suffer from inconsistent results and security gaps, EnergyPlus-MCP provides validated, reliable interactions while maintaining scientific rigor. This democratizes sophisticated building energy analysis, making EnergyPlus accessible to broader audiences through conversational interfaces and streamlined workflows.

Li, Han [Lawrence Berkeley National Laboratory (LB↗

Reference Shapefiles and Pre-trained Random Forest Classification Models for Detecting Aufeis on the North Slope of Alaska in Landsat Imagery

This dataset provides shapefiles and trained machine learning models used for aufeis detection at four sites on the North Slope of Alaska. It includes reference data for evaluating Landsat-based detection methods, supporting research on remote sensing approaches for identifying aufeis. The ReferenceData folder contains ArcGIS shapefiles of semi-automated land cover classifications for 217 Landsat Collection 2 images, categorizing pixels into six classes: aufeis, snow, ground, none, water, and cloud. The SiteBuffers.zip file includes 10-kilometer buffer shapefiles defining regions of interest around four aufeis fields (Canning21, FH1, Firth, and Kuparuk), used to test three detection techniques. Additionally, the TrainedRFModels folder contains six pre-trained Scikit-Learn Random Forest classifiers (100 trees, max depth = 30) designed to predict aufeis presence in Landsat Collection 2 Surface Reflectance images using Red, Blue, SWIR2, NDVI, and NDWI bands. This dataset supports the development and validation of remote sensing methods for mapping aufeis in Arctic environments.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

TNSL Overview

Thermal neutron scattering law (TNSL) data describe low-energy neutrons scattering off of bound materials, and can have a significant impact on modeling any system with slow neutrons, including nuclear reactors. Previous work to introduce TNSL data to neutron transport codes at LLNL focused on COG and TART [1], with the limitation that these codes require highly specialized data processing and formatting. We have recently increased efforts to process TNSL data with the central LLNL nuclear data processing code FUDGE, to be stored in the generalized nuclear database structure (GNDS) for use in any general transport code with the ability to read GNDS data. The first step in this effort is to verify that the TNSL processing with FUDGE yields results comparable to results obtained using the LANL nuclear data processing code NJOY. The next step is to verify the transport of thermal neutrons in Mercury (a Monte Carlo code) and Ardra (a deterministic code) against one another, as well as against the LANL Monte Carlo neutron transport code MCNP. This verification step has not been completed, due to a number of discrepancies between results obtained using differently processed data. There is ongoing effort to understand differences between FUDGE and NJOY. Finally, we map out our current capability to validate TNSL data against benchmark systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Fourteen Years of Energetic Neutral Atom Observations from IBEX

The Interstellar Boundary Explorer (IBEX) has been observing the outer heliosphere and its interactions with the very local interstellar medium (VLISM) via measurements of energetic neutral atoms (ENAs) for over 14 yr. We discovered the IBEX Ribbon—a structure completely unanticipated by any prior theory or model—that almost certainly resides beyond the heliopause in the VLISM. We also characterized the other major source of heliospheric ENAs, the globally distributed flux (GDF), produced largely in the heliosheath between the termination shock and heliopause. In this study, we make three major new contributions. First, we validate, provide, and analyze the most recent 3 yr of IBEX-Hi (0.5–6 keV FWHM) data (2020–2022) for the first time. Second, we link these observations to the prior 11 yr of observations, exploring long-term variations. Finally, we provide the first IBEX team-validated Ribbon/GDF separation scheme and separated maps. Because of the uncertainty in separating different line-of-sight integrated sources, we provide not just best guess (median) maps, but also maps with upper and lower reasonable values of Ribbon and GDF fluxes, along with bounding fluxes that add the uncertainties to the upper and lower values. This allows theories and models to be compared with a range of possible values that the IBEX team believes are consistent with data. These observations, along with the reanalysis of the prior 11 yr of IBEX-Hi data, provide new insights and even further develop our detailed understanding of the heliosphere’s interaction with the local interstellar medium unlocked by IBEX.

79 ASTRONOMY AND ASTROPHYSICS↗

Radar Observations of Recent Mars Landing Sites

The Mars Exploration Rovers Spirit and Opportunity will arrive at their respective landing sites of Gusev Crater and Terra Meridiani in January 2004. During the 2001 and 2003 Mars Oppositions both landing sites were targeted for a series of radar observations using the telescopes of the Goldstone Deep Space Communications Complex (GDSCC). This paper will present results of terrestrial delay- Doppler radar observations of the landing sites, predictions for the surface properties that will be encountered, and, after successful landings, correlation between the predicted and observed surface properties. The in-situ observations made by both missions serve as ground truth for the validation of the high resolution radar mapping results.

Larsen, K. W.↗

Radar observations of recent Mars landing sites

This paper will present results of terrestrial delay-Doppler radar observations of the landing sites, predictions for the surface properties that will be encountered, and, after successful landings, correlation between the predicted and observed surface properties. The in-situ observations made by both missions serve as ground truth for the validation of the high resolution radar mapping results.

Slade, M. A.↗

Desert Dust Air Mass Mapping in the Western Sahara, using Particle Properties Derived from Space-based Multi-angle Imaging

Coincident observations made over the Moroccan desert during the SAhara Mineral dUst experiMent (SAMUM) 2006 field campaign are used both to validate aerosol amount and type retrieved from Multi-angle Imaging SpectroRadiometer (MISR) observations, and to place the sub-orbital aerosol measurements into the satellite's larger regional context. On three moderately dusty days for which coincident observations were made, MISR mid-visible aerosol optical thickness (AOT) agrees with field measurements point-by-point to within 0.05 to 0.1. This is about as well as can be expected given spatial sampling differences; the space-based observations capture AOT trends and variability over an extended region. The field data also validate MISR's ability to distinguish and to map aerosol air masses, from the combination of retrieved constraints on particle size, shape, and single-scattering albedo. For the three study days, the satellite observations (a) highlight regional gradients in the mix of dust and background spherical particles, (b) identify a dust plume most likely part of a density flow, and (c) show an air mass containing a higher proportion of small, spherical particles than the surroundings, that appears to be aerosol pollution transported from several thousand kilometers away.

Kahn, Ralph↗

Desert Dust Aerosol Air Mass Mapping in the Western Sahara, Using Particle Properties Derived from Space-Based Multi-Angle Imaging

Coincident observations made over the Moroccan desert during the Sahara mineral dust experiment (SAMUM) 2006 field campaign are used both to validate aerosol amount and type retrieved from multi-angle imaging spectroradiometer (MISR) observations, and to place the suborbital aerosol measurements into the satellite s larger regional context. On three moderately dusty days during which coincident observations were made, MISR mid-visible aerosol optical thickness (AOT) agrees with field measurements point-by-point to within 0.05 0.1. This is about as well as can be expected given spatial sampling differences; the space-based observations capture AOT trends and variability over an extended region. The field data also validate MISR s ability to distinguish and to map aerosol air masses, from the combination of retrieved constraints on particle size, shape and single-scattering albedo. For the three study days, the satellite observations (1) highlight regional gradients in the mix of dust and background spherical particles, (2) identify a dust plume most likely part of a density flow and (3) show an aerosol air mass containing a higher proportion of small, spherical particles than the surroundings, that appears to be aerosol pollution transported from several thousand kilometres away.

Kahn, Ralph↗

Optimum receiver structures for phase-multiplexed modulations

A MAP (maximum a posteriori) estimation loop is derived for a QPSK signal and, by suitable approximation to the nonlinearity which arises as a consequence of the MAP theory, is reconfigured with practical realizations that are valid for high and low SNRs. In particular, it is shown that by approximating the hyperbolic tangent nonlinearity in the MAP estimation loop by the first two terms in its power series, an interesting practical realization of this loop results which applies at low SNRs. The error signal in this loop is formed by multiplying the error signal and lock detector output signal of a conventional biphase Costas loop. A generalized linear in-phase channel configuration is proposed which allows carrier reconstruction from an unbalanced QPSK signal at all ratios of data rates and powers in the two channels, even in the limit as these ratios simultaneously approach unity, i.e., balanced quadriphase.

Simon, M. K.↗

Intracardiac Electrical Imaging using the 12-lead ECG: A Machine Learning Approach using Synthetic Data

Current state-of-the-art techniques for non-invasive imaging of cardiac electrical phenomena require voltage recordings from dozens of different torso locations and anatomical models built from expensive medical diagnostic imaging procedures. Here this study aimed to assess if recent machine learning advances could alternatively reconstruct electroanatomical maps at clinically relevant resolutions using only the standard 12-lead electrocardiogram (ECG) as input. To that end, a computational study was conducted to generate a dataset of over 16000 detailed cardiac simulations, which was then used to train neural network (NN) architectures designed to exploit both spatial and temporal correlations in the ECG signal. Analysis over a validation set showed average errors in activation map reconstruction below 1.7 msec over 75 intracardiac locations. Furthermore, phenotypical patterns of activation and the morphology of the activation potential were correctly reconstructed. The approach offers opportunities to stratify patients non-invasively, both retrospectively and prospectively, using metrics otherwise only available through invasive clinical procedures.

59 BASIC BIOLOGICAL SCIENCES↗

Mass Spectrometry Imaging Quick View

MSI QuickView is a software designed to provide a graphical user interface (GUI) for greatly speeding up experimental feedback (visualization and analysis) of mass spectrometry imaging (MSI or IMS) data during data acquisition. Often different software loads the entire data set, i.e., all lines of data into computer memory (RAM). This causes out of memory errors for larger datasets. We solved this in MSI QuickView by reading in the data one line at a time. Only the required information (e.g. the final pixel values for that line of heat map) is maintained in RAM. Interim analysis options include the mean intensity vs. m/z spectrum, intensity vs. time spectrums for up to 6 different m/z values or ranges chosen by the user and heat maps for each line. This assists in validating the usefulness of the particular experiment after scanning the first few lines. In addition, the tool facilitates further processing and analysis of the massive datasets. The user can manually pick different m/z values, time ranges, scroll through the spectra for any line in the data without having to load it in manually, save multiple images, change aspect ratios for the heat maps, and process the heat maps in multiple ways including overlaying images at different m/z values, displaying up to 9 different heat maps, alignment of scans along each line etc. There is no manipulation of the data required by the user to visualize the data.

Carson, JamesP.↗

Datasets and U-Net Model for "A Deep Learning Based Framework to Identify Undocumented Orphaned Oil and Gas Wells from Historical Maps: a Case Study for California and Oklahoma"

This dataset has results and the model associated with the publication Ciulla et al., (2024). It contains a U-Net semantic segmentation model (unet_model.h5) and associated code implemented in tensorflow 2.0 for the model training and identification of oil and gas well symbols in USGS historical topographic maps (HTMC). Given a quadrangle map (7.5 minutes), downloadable at this url: https://ngmdb.usgs.gov/topoview/, and a list of coordinates of the documented wells present in the area, the model returns the coordinates of oil and gas symbols in the HTMC maps. For reproducibility of our workflow, we provide a sample map in California and the documented well locations for the entire State of California (CalGEM_AllWells_20231128.csv) downloaded from https://www.conservation.ca.gov/calgem/maps/Pages/GISMapping2.aspx. Additionally, the locations of 1,301 potential undocumented orphaned wells identified using our deep learning framework or the counties of Los Angeles and Kern in California, and Osage and Oklahoma in Oklahoma are provided in the file found_potential_UOWs.zip. The results of the visual inspection of satellite imagery in Osage County is in the file visible_potential_UOWs.zip. The dataset also includes a custom tool to validate the detected symbols in the HTMC maps (vetting_tool.py). More details about the methodology can be found in the associated paper: Ciulla, F., Santos, A., Jordan, P., Kneafsey, T., Biraud, S.C., and Varadharajan, C. (2024) A Deep Learning Based Framework to Identify Undocumented Orphaned Oil and Gas Wells from Historical Maps: a Case Study for California and Oklahoma. Accepted for publication in Environmental Science and Technology. The geographical coordinates provided correspond to the locations of potential undocumented orphaned oil and gas wells (UOWs) extracted from historical maps. The actual presence of wells need to be confirmed with on-the-ground investigations. For your safety, do not attempt to visit or investigate these sites without appropriate safety training, proper equipment, and authorization from local authorities. Approaching these well sites without proper personal protective equipment (PPE) may pose significant health and safety risks. Oil and gas wells can emit hazardous gasses including methane, which is flammable, odorless and colorless, as well as hydrogen sulfide, which can be fatal even at low concentrations. Additionally, there may be unstable ground near the wellhead that may collapse around the wellbore. This dataset was prepared as an account of work sponsored by the United States Government. While this document is believed to contain correct information, neither the United States Government nor any agency thereof, nor the Regents of the University of California, nor any of their employees, makes any warranty, express or implied, or assumes any legal responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by its trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or the Regents of the University of California. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof or the Regents of the University of California.

Artificial Intelligence↗

Evaluating Chemical Kinetics Predictions for Propane Using 3-D and 0-D Models in a Boosted Spark-Ignited Engine

Propane has been shown to be a promising alternative fuel to reduce emissions while simultaneously achieving high efficiencies in medium- and heavy-duty engines. These high-power density applications require boosted engines which, combined with high compression ratio, can lead to auto-ignition and knock. While three-dimensional (3-D) computational fluid dynamics (CFD) models are often used for resolving the complex fluid flow in engines, these models can become computationally expensive when simulating detailed chemical kinetics. Likewise, zero-dimensional (0-D) models are computationally concise enough for kinetics development, but lack any flow-field information which governs the flame propagation processes in spark ignition (SI) engines. This work presents a comprehensive comparison between 3-D and 0-D closed cycle simulations at knocking conditions in a high compression ratio high stroke-to-bore ratio propane engine. In order to initialize the flow-field for the 3-D closed cycle (intake valve closing, (IVC) to exhaust valve opening, (EVO)) simulation, a motored multi-cycle 3-D model was run using Converge to create a map at IVC, reducing the computational time. The map allowed a non-homogeneous 3-D closed cycle simulation to be satisfactorily validated against experiments, while a homogeneous case using only the turbulence field mapping was also simulated, mimicking 0-D modeling. The 3-D simulations were used to prescribe the initial conditions (e.g., IVC thermodynamics, speciation, burn-rate profile) for a 2-zone 0-D SI engine model in Chemkin Pro for both cases. It was found that 2-zone 0-D modeling underpredicted the knock onset timing, likely due to the lack of thermal stratification in the unburned gas region. Future work will carry multi-zone 0-D modeling to capture the fuel auto-ignition in the unburned region.

Douvry-Rabjeau, Julien [Oakland University, Roches↗

Genetic characterization of a Sorghum bicolor multiparent mapping population emphasizing carbon-partitioning dynamics

Sorghum bicolor, a photosynthetically efficient C4 grass, represents an important source of grain, forage, fermentable sugars, and cellulosic fibers that can be utilized in myriad applications ranging from bioenergy to bioindustrial feedstocks. Sorghum’s efficient fixation of carbon per unit time per unit area per unit input has led to its classification as a preferred biomass crop highlighted by its designation as an advanced biofuel by the U.S. Department of Energy. Due to its extensive genetic diversity and worldwide colonization, sorghum has considerable diversity for a range of phenotypes influencing productivity, composition, and sink/source dynamics. To dissect the genetic basis of these key traits, we present a sorghum carbon-partitioning nested association mapping (NAM) population generated by crossing 11 diverse founder lines with Grassl as the single recurrent female. By exploiting existing variation among cellulosic, forage, sweet, and grain sorghum carbon partitioning regimes, the sorghum carbon-partitioning NAM population will allow the identification of important biomass-associated traits, elucidate the genetic architecture underlying carbon partitioning and improve our understanding of the genetic determinants affecting unique phenotypes within Poaceae. We contrast this NAM population with an existing grain population generated using Tx430 as the recurrent female. Genotypic data are assessed for quality by examining variant density, nucleotide diversity, linkage decay, and are validated using pericarp and testa phenotypes to map known genes affecting these phenotypes. We release the 11-family NAM population along with corresponding genomic data for use in genetic, genomic, and agronomic studies with a focus on carbon-partitioning regimes.

multiparental populations↗

Patch-Based Convolutional Neural Networks for Multiple Microstructural Features Detection in FIB-SEM Micrographs of Irradiated Nuclear Fuel

Focused ion beam scanning electron microscopy (FIB-SEM) tomography has increasingly been utilized for acquiring three-dimensional (3D) microstructure features at the sub-micron scale in irradiated nuclear materials. This technique involves sequential ion beam slicing followed by electron beam imaging and compositional mapping using energy dispersive spectroscopy (EDS). Despite its growing use, several challenges persist. These include the time-intensive nature of data collection of EDS data, difficulties in distinguishing between various microstructures, and issues with image alignment. These challenges currently limit the broader application of FIB-SEM tomography in the field. To overcome these limitations, we propose using convolutional neural networks (CNNs) to automate microstructure identification in SEM images. Our study introduces a new framework for identifying microstructures in irradiated U-10Zr (wt. %) metallic fuel with limited annotated data. The framework includes the creation of a reliable annotated dataset with paired SEM and ground truth data from EDS maps, the applications of CNNs for microstructure identification, and the validation of model performance. Specifically, we employed the Segment Anything Model (SAM) to align SEM images with corresponding EDS maps and focused ion beam (FIB) tomography SEM data. We evaluate several models, including Patch-based U-Net, Attention U-Net, and Residual U-Net, finding that patch-based U-Net exhibits superior segmentation performance and consistency. This approach reduces reliance on EDS detectors and aids in accelerating nuclear material analysis process, highlighting the potential of advanced deep learning techniques to improve microstructural understanding in nuclear material. This is the first framework to integrate SAM and Patch-based CNN models for semantic segmentation of irradiated nuclear materials, with potential applicability to other tomography datasets.

36 - MATERIALS SCIENCE↗

Visualizing nanoscale 3D compositional fluctuation of lithium in advanced lithium-ion battery cathodes

The distribution and concentration of lithium in Li-ion battery cathodes at different stages of cycling is a pivotal factor in determining battery performance. Non-uniform distribution of the transition metal cations has been shown to affect cathode performance; however, the Li is notoriously challenging to characterize with typical high-spatial-resolution imaging techniques. Here, for the first time, laser–assisted atom probe tomography is applied to two advanced Li-ion battery oxide cathode materials—layered Li 1.2 Ni 0.2 Mn 0.6 O 2 and spinel LiNi 0.5 Mn 1.5 O 4 —to unambiguously map the three dimensional (3D) distribution of Li at sub-nanometer spatial resolution and correlate it with the distribution of the transition metal cations (M) and the oxygen. The as-fabricated layered Li 1.2 Ni 0.2 Mn 0.6 O 2 is shown to have Li-rich Li 2 MO 3 phase regions and Li-depleted Li(Ni 0.5 Mn 0.5 )O 2 regions while in the cycled layered Li 1.2 Ni 0.2 Mn 0.6 O 2 an overall loss of Li and presence of Ni rich regions, Mn rich regions and Li rich regions are shown in addition to providing the first direct evidence for Li loss on cycling of layered LNMO cathodes. The spinel LiNi 0.5 Mn 1.5 O 4 cathode is shown to have a uniform distribution of all cations. These results were additionally validated by correlating with energy dispersive spectroscopy mapping of these nanoparticles in a scanning transmission electron microscope. Thus, we have opened the door for probing the nanoscale compositional fluctuations in crucial Li-ion battery cathode materials at an unprecedented spatial resolution of sub-nanometer scale in 3D which can provide critical information for understanding capacity decay mechanisms in these advanced cathode materials.

36 MATERIALS SCIENCE↗