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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 577 records · Page 32

Impact of External Pressure and Electrolyte Transport Properties on Lithium Dendrite Growth

Practical implementation of metal anodes in commercial lithium-ion batteries has been limited by the growth of dendritic protrusions, which can cause short-circuits and adversely affect battery safety. The impacts of the physical (such as external pressure and electrolyte shear modulus) and electrochemical (for example, conductivity, diffusivity and transference number) properties of a solid electrolyte on the propensity of lithium dendrite growth are investigated here. It is found that over a range of conditions, there are critical pressures above which growth of lithium dendritic protrusions can be prevented. The magnitude of this critical pressure depends on the elastic modulus of the electrolyte. Plastic deformation of lithium at high pressure results in reduced protrusion growth, which helps in obtaining stable deposition. For the first time, phase maps have been developed based on mechanical and transport properties of electrolytes, indicating conditions under which stable deposition of lithium is possible during long-term operation. Suppression of dendrites by individually altering conductivity, or diffusivity, or transference number, or elastic modulus of the electrolyte appears to be a relatively difficult task. Finally, minor tailoring of the transference number and elastic modulus of present-day polymer electrolytes, in a combined fashion, can lead to dendrite-free deposition of lithium.

25 ENERGY STORAGE↗

Development and application of operational techniques for the inventory and monitoring of resources and uses for the Texas coastal zone

The author has identified the following significant results. Image interpretation mapping techniques were successfully applied to test site 5, an area with a semi-arid climate. The land cover/land use classification required further modification. A new program, HGROUP, added to the ADP classification schedule provides a convenient method for examining the spectral similarity between classes. This capability greatly simplifies the task of combining 25-30 unsupervised subclasses into about 15 major classes that approximately correspond to the land use/land cover classification scheme.

Harwood, P.↗

Processing Satellite Imagery To Detect Waste Tire Piles

A methodology for processing commercially available satellite spectral imagery has been developed to enable identification and mapping of waste tire piles in California. The California Integrated Waste Management Board initiated the project and provided funding for the method s development. The methodology includes the use of a combination of previously commercially available image-processing and georeferencing software used to develop a model that specifically distinguishes between tire piles and other objects. The methodology reduces the time that must be spent to initially survey a region for tire sites, thereby increasing inspectors and managers time available for remediation of the sites. Remediation is needed because millions of used tires are discarded every year, waste tire piles pose fire hazards, and mosquitoes often breed in water trapped in tires. It should be possible to adapt the methodology to regions outside California by modifying some of the algorithms implemented in the software to account for geographic differences in spectral characteristics associated with terrain and climate. The task of identifying tire piles in satellite imagery is uniquely challenging because of their low reflectance levels: Tires tend to be spectrally confused with shadows and deep water, both of which reflect little light to satellite-borne imaging systems. In this methodology, the challenge is met, in part, by use of software that implements the Tire Identification from Reflectance (TIRe) model. The development of the TIRe model included incorporation of lessons learned in previous research on the detection and mapping of tire piles by use of manual/ visual and/or computational analysis of aerial and satellite imagery. The TIRe model is a computational model for identifying tire piles and discriminating between tire piles and other objects. The input to the TIRe model is the georeferenced but otherwise raw satellite spectral images of a geographic region to be surveyed. The TIRe model identifies the darkest objects in the images and, on the basis of spatial and spectral image characteristics, discriminates against other dark objects, which can include vegetation, some bodies of water, and dark soils. The TIRe model can identify piles of as few as 100 tires. The output of the TIRe model is a binary mask showing areas containing suspected tire piles and spectrally similar features. This mask is overlaid on the original satellite imagery and examined by a trained image analyst, who strives to further discriminate against non-tire objects that the TIRe model tentatively identified as tire piles. After the analyst has made adjustments, the mask is used to create a synoptic, geographically accurate tire-pile survey map, which can be overlaid with a road map and/or any other map or set of georeferenced data, according to a customer s preferences.

Skiles, Joseph↗

Parallel Distributed Hydrology Soil Vegetation Model (DHSVM) using global arrays

The Distributed Hydrology Soil Vegetation Model (DHSVM) code was parallelized for distributed memory computers using Global Arrays (GA). To analyze parallel performance, DHSVM was used to simulate two significantly sized river basins located in northwest continental United States and southwest Canada at 90~m resolution: (1) Clearwater (25,000~km2) and (2) Columbia (668,000~km2). Meteorological forcing applied to both basins was dynamically down-scaled from a global circulation model using the Weather Research and Forecasting (WRF) model and read into DHSVM as 2D maps each time step. We report parallel code speed up was significant. Run times for 1-year simulations were reduced by an order of magnitude for both test basins. A maximum speed up of 105 was attained with 480 processors while simulating the Columbia basin. Speed up was limited by input dominated tasks, particularly the input of meteorological forcing data.

54 ENVIRONMENTAL SCIENCES↗

SKYMAP: Exploring the Universe in software

SKYMAP is a computer program which produces maps of arbitrary portions of the sky in a variety of projections and coordinate systems. Over the past ten years it has been used to produce finder charts for occultations by planets, display scan and image data from the Spacelab 2 Infrared Telescope, and make maps of fields for astronomical observations at X-ray, optical, infrared, and radio wavelengths. It can display multiple source catalogs, including the HST Guide Star Catalog, as well as solar system objects with astrometric accuracy using the JPL DE-130 ephemeris or tabulated positions. SKYMAP can be tuned to a specific task using an ASCII parameter file which controls how information is displayed on any Tektronix-compatible graphics display. The program contains a variety of interactive graphic and image processing features and has been ported to a variety of computer systems. A recent project visually demonstrates source density variation in various commonly-used all-sky catalogs.

Mink, D. J.↗

The Lunar Mapping and Modeling Project

The Lunar Mapping and Modeling Project (LMMP) has been created to manage the development of a suite of lunar mapping and modeling products that support the Constellation Program (CxP) and other lunar exploration activities, including the planning, design, development, test and operations associated with lunar sortie missions, crewed and robotic operations on the surface, and the establishment of a lunar outpost. The information provided through LMMP will assist CxP in: planning tasks in the areas of landing site evaluation and selection, design and placement of landers and other stationary assets, design of rovers and other mobile assets, developing terrain-relative navigation (TRN) capabilities, and assessment and planning of science traverses.

Noble, Sarah K.↗

Analysis of stratospheric ozone, temperature, and minor constituent data

The objective of this research is to use available satellite measurements of temperature and constituent concentrations to test the conceptual picture of stratospheric chemistry and transport. This was originally broken down into two sub-goals: first, to use the constituent data to search for critical tests of our understanding of stratospheric chemistry and second, to examine constituent transport processes emphasizing interactions with chemistry on various time scales. A third important goal which has evolved is to use the available solar backscattered ultraviolet (SBUV) and Total Ozone Mapping Spectrometer (TOMS) data from Nimbus 7 to describe the morphology of recent changes in Antarctic and global ozone with emphasis on searching for constraints to theories. The major effort now being pursued relative to the two original goals is our effort as a theoretical team for the Arctic Airborne Stratospheric Expedition (AASE). Our effort for the AASE is based on the 3D transport and chemistry model at Goddard. Our goal is to use this model to place the results from the mission data in a regional and global context. Specifically, we set out to make model runs starting in late December and running through March of 1989, both with and without heterogeneous chemistry. The transport is to be carried out using dynamical fields from a 4D data assimilation model being developed under separate funding from this task. We have successfully carried out a series of single constituent transport experiments. One of the things demonstrated by these runs was the difficulty in obtaining observed low N2O abundances in the vortex without simultaneously obtaining very high ozone values. Because the runs start in late December, this difficulty arises in the attempt to define consistent initial conditions for the 3D model. To accomplish a consistent set of initial conditions, we are using the 2D photochemistry-transport model of Jackman and Douglass and mapping in potential temperature, potential vorticity space as developed by Schoeberl and coworkers.

Stolarski, Richard S.↗

Decision Making Under Uncertainty Human Subjects Data - Fire Evacuation Task

This dataset contains de-identified data from human subjects experiments, along with the images and code that were used to run the experiments (as a crowdsourced online study). In this study, participants were shown the probability of a house being in the burn zone of a wildfire. They were asked if they would stay in the house or evacuate in that scenario. The probability information was presented in different ways, including text and maps. The studies tested the impact of different visual cues on the participants' patterns of decisions.

Matzen, Laura E. [Sandia National Laboratories (SN↗

Bayesian tensorized neural networks with automatic rank selection

Tensor decomposition is an effective approach to compress over-parameterized neural networks and to enable their deployment on resource-constrained hardware platforms. However, directly applying tensor compression in the training process is a challenging task due to the difficulty of choosing a proper tensor rank. In order to address this challenge, this paper proposes a low-rank Bayesian tensorized neural network. Our Bayesian method performs automatic model compression via an adaptive tensor rank determination. We also present approaches for posterior density calculation and maximum a posteriori (MAP) estimation for the end-to-end training of our tensorized neural network. Here, we provide experimental validation on a two-layer fully connected neural network, a 6-layer CNN and a 110-layer residual neural network where our work produces 7.4x to 137x more compact neural networks directly from the training while achieving high prediction accuracy.

Low-rank tensor↗

Rapid Identification of X-ray Diffraction Patterns Based on Very Limited Data by Interpretable Convolutional Neural Networks

Large volumes of data from material characterizations call for rapid and automatic data analysis to accelerate materials discovery. Herein, we report a convolutional neural network (CNN) that was trained based on theoretical data and very limited experimental data for fast identification of experimental X-ray diffraction (XRD) patterns of metal–organic frameworks (MOFs). To augment the data for training the model, noise was extracted from experimental data and shuffled; then it was merged with the main peaks that were extracted from theoretical spectra to synthesize new spectra. For the first time, one-to-one material identification was achieved. Theoretical MOFs patterns (1012) were augmented to a whole data set of 72 864 samples. It was then randomly shuffled and split into training (58 292 samples) and validation (14 572 samples) data sets at a ratio of 4:1. For the task of discriminating, the optimized model showed the highest identification accuracy of 96.7% for the top 5 ranking on a test data set of 30 hold-out samples. Neighborhood component analysis (NCA) on the experimental XRD samples shows that the samples from the same material are clustered in groups in the NCA map. Analysis on the class activation maps of the last CNN layer further discloses the mechanism by which the CNN model successfully identifies individual MOFs from the XRD patterns. Furthermore, this CNN model trained by the data augmentation technique would not only open numerous potential applications for identifying XRD patterns for different materials, but also pave avenues to autonomously analyze data by other characterization tools such as FTIR, Raman, and NMR spectroscopies.

36 MATERIALS SCIENCE↗

Model Data Archive Associated with Manuscript "Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon"

This data package supports the publication “Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon” by Li et al. (2026). The package contains processed model inputs, configuration files, restart files, simulation outputs, scripts, and visualization products used to evaluate post-fire dissolved organic carbon (DOC) dynamics in the Naches River Watershed, Washington, USA, following the 2021 Schneider Springs Fire. The modeling workflow couples ELM-BGC, the biogeochemistry-enabled Energy Exascale Earth System Model Land Model; ATS, the Advanced Terrestrial Simulator for integrated surface-subsurface hydrology; and PFLOTRAN, a reactive transport model for multicomponent aqueous geochemistry. Together, these models simulate how wildfire-induced changes in vegetation, litter, coarse woody debris, and soil organic matter influence DOC production, transport, and reaction from burned hillslopes to stream networks. The archive includes preprocessed meteorological, geospatial, hydrologic, and biogeochemical forcing data; ELM-BGC-derived DOC source terms; ATS mesh files; PFLOTRAN reactive-transport inputs; model configuration files; spin-up and transient restart files; watershed-scale diagnostic outputs; stream concentration time series; and figures or visualization files used to inspect and reproduce key results. File types include Hierarchical Data Format 5 (HDF5) files for gridded forcing and model-coupling data, model input and configuration files for ELM-BGC, ATS, and PFLOTRAN, restart and simulation-output files generated by the modeling workflow, tabular or time-series diagnostic outputs, scripts for post-processing and figure generation, and image or visualization products associated with the manuscript. Use of the package depends on the intended task. Re-running the simulations requires the relevant modeling software, including ELM-BGC, ATS, and PFLOTRAN as ATS's geochemical engine. Inspecting outputs and reproducing figures requires Python with scientific plotting libraries such as Matplotlib, and three-dimensional model outputs may be viewed with ParaView. Geographic information system files or maps may be inspected with ArcGIS Pro or comparable GIS software. The data package is intended to enable traceability, reuse, and partial reproduction of the coupled land-to-watershed hydro-biogeochemical modeling workflow used to test how wildfire disturbance affects terrestrial carbon pools and downstream DOC dynamics.

ATS↗

Aerodynamic Flow Field Measurements for Automotive Systems

The design of a modern automotive air handling system is a complex task. The system is required to bring the interior of the vehicle to a comfortable level in as short a time as possible. A goal of the automotive industry is to predict the interior climate of an automobile using advanced computational fluid dynamic (CFD) methods. The development of these advanced prediction tools will enable better selection of engine and accessory components. The goal of this investigation was to predict methods used by the automotive industry. To accomplish this task three separate experiments were performed. The first was a laboratory setup where laser velocimeter (LV) flow field measurements were made in the heating and air conditioning unit of a Ford Windstar. The second involved flow field measurements in the engine compartment of a Ford Explorer, with the engine running idle. The third mapped the flow field exiting the center dashboard panel vent inside the Explorer, while the circulating fan operated at 14 volts. All three experiments utilized full-coincidence three-component LV systems. This enabled the mean and fluctuating velocities to be measured along with the Reynolds stress terms.

Hepner, Timothy E.↗

Machine Learning Automated Analysis of Enormous Synchrotron X-ray Diffraction Datasets

X-ray diffraction (XRD) data analysis can be a time-consuming and laborious task. Deep neural network (DNN) based models trained with synthetic XRD patterns have been proven to be a highly efficient, accurate, and automated method for analyzing common XRD data collected from solid samples in ambient environments. However, it remains unclear whether synthetic XRD-based models can be effective in solving micro(μ)-XRD mapping data for in situ experiments involving liquid phases, which always have lower quality and significant artifacts. In this study, we collected μ-XRD mapping data from a LaCl 3 -calcite hydrothermal fluid system and trained two categories of models to analyze the experimental XRD patterns. Here, the models trained solely with synthetic XRD patterns showed low accuracy (as low as 64%) when solving experimental μ-XRD mapping data. However, the accuracy of the DNN models significantly improved (90% or above) when we trained them with a data set containing both synthetic and a small number of labeled experimental μ-XRD patterns. This study highlights the importance of labeled experimental patterns in training DNN models to solve μ-XRD mapping data from in situ experiments involving liquid phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Methods for Explainable Artificial Intelligence

We explored ways of quantifying information in a neural network. This can be used to determine the right size of a network or to infer the way in which a network is processing information. The first year and a half was somewhat exploratory while the last half of the project focused on approaches that seemed to show the most promise. The introduce a new way of computing explainable artificial intelligence (XAI) saliency maps that is several orders of magnitude faster than methods with similar fidelity We call it FastCAM. The method works be combining a Class Activation Map (CAM) method such as GradCAM with a forward activation map computed with a statistic we call SMOE Scale. The addition of the forward activation maps to CAM methods seems to always improve their fidelity. At the same time, computational overhead is not increased by very much. While Gradients with SmoothGrad scores better on some fidelity measures, it is overall not as good and requires more than 1500 times to compute. We demonstrate two completed applications of FastCAM on tasks outside of the LDRD at LLNL. The source code for FastCAM is currently being implanted into Captum, the official XAI toolkit for the popular deep learning toolkit PyTorch. The LDRD currently has 13 publications released to the public. 10 of them are journal length.

97 MATHEMATICS AND COMPUTING↗

NeuroSymbolic Approaches as a Vector for Assured Artificial Intelligence

The deployment of artificial intelligence systems in critical applications requires higher levels of assurance for safety, security, and interpretability. While neurosymbolic (NESY) approaches combining neural networks with symbolic reasoning offer potential advantages for assured AI, existing differentiable neurosymbolic frameworks face significant limitations including computational overhead and performance constraints. This report investigates the ISED (InferSampleEstimateDescend) framework as an alternative approach that enables neurosymbolic learning without requiring endtoend differentiability. We evaluate ISED’s utility for geointelligence applications by comparing neurosymbolic models against standard neural networks on aircraft classification tasks using the RarePlanes and MTARSI imagery datasets. Our results demonstrate that while ISEDbased models achieve slightly lower accuracy (89.7% vs 92.1% on RarePlanes; 91.1% vs 92.5% on MTARSI), they provide critical explainability capabilities that enable tracing incorrect predictions back to specific attribute misclassifications. We also present an automated pipeline that generates both attributeclass mappings and neurosymbolic model architectures from natural language descriptions, significantly reducing the manual effort required for NESY model deployment. These findings suggest that ISED offers a promising direction for developing assured AI systems where interpretability and reasoning transparency are prioritized alongside performance.

97 MATHEMATICS AND COMPUTING↗

The Soil Moisture Active Passive (SMAP) Applications Activity

The Soil Moisture Active Passive (SMAP) mission is one of the first-tier satellite missions recommended by the U.S. National Research Council Committee on Earth Science and Applications from Space. The SMAP mission 1 is under development by NASA and is scheduled for launch late in 2014. The SMAP measurements will allow global and high-resolution mapping of soil moisture and its freeze/thaw state at resolutions from 3-40 km. These measurements will have high value for a wide range of environmental applications that underpin many weather-related decisions including drought and flood guidance, agricultural productivity estimation, weather forecasting, climate predictions, and human health risk. In 2007, NASA was tasked by The National Academies to ensure that emerging scientific knowledge is actively applied to obtain societal benefits by broadening community participation and improving means for use of information. SMAP is one of the first missions to come out of this new charge, and its Applications Plan forms the basis for ensuring its commitment to its users. The purpose of this paper is to outline the methods and approaches of the SMAP applications activity, which is designed to increase and sustain the interaction between users and scientists involved in mission development.

Brown, Molly E.↗

Non-Intrusive Appliance Identification with Appliance-Specific Networks

The problem of noninstrusive load monitoring (NILM) is usually formulated as a single-channel blind source separation task, whose successful solution enable fast and convenient load identification and energy disaggregation. When applied at test time, NILM algorithms aim to identify the operating characteristics of individual appliances from an aggregate power measurement of the entire house. Recent advances in deep learning gave rise to many methods that mostly focus on learning a direct mapping from aggregate measurement to individual appliance power. However, these methods are not only computationally expensive, but they often suffer from overfitting and do not generalize very well. In this article, we propose a novel NILM method that leverages advances in statistical learning that have not been properly applied in this domain before. The proposed method consists of three stages: first, a Bayesian nonparametric learning-based approach for appliance state extraction; second, synthetic minority oversampling technique for data augmentation and mitigating the heavy imbalance in switching events; and third, appliance-specific lightweight long short-term memory networks for status classification for each appliance. Here, we adopt a “differential” input (the difference before and after the switching event) to reduce the complexity of network training and make the proposed method robust to multiappliance switching events. Experiments are conducted to demonstrate the effectiveness of the proposed method, achieving superior performance when compared to recent methods. An ablation study is conducted to demonstrate the effectiveness of each module of our method. Finally, we investigate the quality of generated synthetic samples.

42 ENGINEERING↗

Scheduling Operations for Massive Heterogeneous Clusters

High-performance computing (HPC) programming has become increasingly difficult with the advent of hybrid supercomputers consisting of multicore CPUs and accelerator boards such as the GPU. Manual tuning of software to achieve high performance on this type of machine has been performed by programmers. This is needlessly difficult and prone to being invalidated by new hardware, new software, or changes in the underlying code. A system was developed for task-based representation of programs, which when coupled with a scheduler and runtime system, allows for many benefits, including higher performance and utilization of computational resources, easier programming and porting, and adaptations of code during runtime. The system consists of a method of representing computer algorithms as a series of data-dependent tasks. The series forms a graph, which can be scheduled for execution on many nodes of a supercomputer efficiently by a computer algorithm. The schedule is executed by a dispatch component, which is tailored to understand all of the hardware types that may be available within the system. The scheduler is informed by a cluster mapping tool, which generates a topology of available resources and their strengths and communication costs. Software is decoupled from its hardware, which aids in porting to future architectures. A computer algorithm schedules all operations, which for systems of high complexity (i.e., most NASA codes), cannot be performed optimally by a human. The system aids in reducing repetitive code, such as communication code, and aids in the reduction of redundant code across projects. It adds new features to code automatically, such as recovering from a lost node or the ability to modify the code while running. In this project, the innovators at the time of this reporting intend to develop two distinct technologies that build upon each other and both of which serve as building blocks for more efficient HPC usage. First is the scheduling and dynamic execution framework, and the second is scalable linear algebra libraries that are built directly on the former.

Humphrey, John↗