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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 289 records · Page 16

On the generation and evolution of internal gravity waves

The tidal generation and evolution of internal gravity waves is investigated experimentally and theoretically using a two-dimensional two-layer model. Time-dependent flow is created by moving a profile of maximum submerged depth 7.7 cm through a total stroke of 29 cm in water above a freon-kerosene mixture in an 8.6-m-long 30-cm-deep 20-cm-wide transparent channel, and the deformation of the fluid interface is recorded photographically. A theoretical model of the interface as a set of discrete vortices is constructed numerically; the rigid structures are represented by a source distribution; governing equations in Lagrangian form are obtained; and two integrodifferential equations relating baroclinic vorticity generation and source-density generation are derived. The experimental and computed results are shown in photographs and graphs, respectively, and found to be in good agreement at small Froude numbers. The reasons for small discrepancies in the position of the maximum interface displacement at large Froude numbers are examined.

Lansing, F. S.↗

Developing Concepts of Operations Using Multi-Step Tool Techniques With Large Language Models

The National Aeronautics and Space Administration (NASA) Air Mobility Pathfinders (AMP) project is developing and evaluating concepts of operations (ConOps) for safe, secure, and scalable Urban Air Mobility (UAM) operations. The AMP project’s Operational Concepts, Architecture, and Requirements Integration (OCARI) Team is using a Model Based System Engineering (MBSE) approach for integration, interoperability, and traceability of Advanced Air Mobility (AAM) ecosystems centered around urban air taxi services. The team’s goal is to define structures and behaviors needed for system feasibility, readiness, and interoperability, establish a UAM knowledge base, and trace and validate assumptions and requirements relevant to AAM. NASA Langley Research Center (LaRC) is spearheading an innovative digital engineering approach to integrate, communicate, and facilitate the research of multi-modal transportation systems. The Knowledge-based Digital Platform (KbDP) is a concept being developed that ties the workflows of Project Managers (PM), Principal Investigators (PI), and System Engineers together across organizational boundaries. It does so through the management of an information database defined by mathematical, data science, and system engineering principles. Machine Learning (ML) algorithms play a key role in this concept by extracting meaningful knowledge from relational and graph databases, document repositories, and system artifacts, which the human user leverages to greatly improve the efficiency and effectiveness of their research. Recent advancements in the field of Large Language Models (LLMs), specifically models trained for tool use, such as Command-R , now allow for the reliable implementation of single-step and multi-step tool-centric systems. These techniques provide the LLM with a set of tools, in our case Python functions, that can be called on to answer a much wider range of questions compared to LLMs implemented using a traditional single-source or Retrieval Augmented Generation (RAG) approach. Through this method, the LLM can pull information from multiple data sources, such as relational or graph databases, document repositories, application programming interfaces (APIs), and SysML artifacts depending on the user’s question. The LLM can also output the information in a variety of different formats, using output generation tools, such as CSV, UML, or SysML artifacts. Additionally, tools can be assigned roles and can work together to provide answers to queries in an “agent” like approach, similar to that implemented by Microsoft’s AutoGen framework where different agents can converse with each other to accomplish tasks. Previously, our team developed a chatbot system with “agent like” functionality in the form of different “modes” the user could select from a user interface (UI), this architecture can be seen on the left in figure 1. Three different modes were implemented, the first mode allowed the LLM to utilize the structures and algorithms within a graph database to trace UAM requirements. The second mode gave the LLM access to a vector search capable of providing relevant information from thousands of document pages related to UAM ConOps and requirements. The third mode served as a general assistant where users could enter open-ended questions and custom prompts to utilize the LLM for different use-cases. This system improved the process surrounding generating and analyzing information related to UAM requirements, however, the implementation provided a clunky user experience. Users were required to know what mode to select within the UI in advance before entering their question to the selected tool. Moreover, the different tools were isolated from each other, they lacked bidirectional links that would allow for tools to collaborate to generate better responses. Our team is working on a new architecture, seen on the right in the below figure, with the goal to address many of the UX shortcomings of our original system while improving the accuracy and depth of responses from the LLM. This new system will automatically select the appropriate tool to use based off the user’s question. Each tool will be capable of calling on any of the other tools available to the LLM, resulting in a collaborative pipeline where tools can pass data between other tools until enough data is received to generate an answer to the user’s question. Using a locally deployed, open-source, LLM, the NASA OCARI team, in collaboration with Collins Aerospace, will implement a prototype application that will bridge knowledge across multiple sources to assist System Engineers (SEs) with requirements discovery and tracing, research question and use case identification, and assumption validation. Such a system will also allow SEs to more easily, and intuitively, explore the AAM ecosystem, ultimately improving the efficiency and effectiveness of the SE's research and decision-making processes surrounding ConOps development and validation. In this session, our team will provide a video demonstration of our new prototype architecture in action. We will also present an overview of our prototype system architecture and talk about its advantages over traditional LLM deployments along with how those advantages can provide additional value to the field of System Engineering.

systems engineering↗

DC Microgrids Under Denial of Service Attacks: Feasibility and Stability Issues

Distributed control has been extensively studied for a DC microgrid to coordinate multiple grid assets where each asset can generate its own control decisions based on communications within its neighborhood. Nevertheless, such a control strategy usually has a strong dependence on active information exchange and needs to always maintain a pre-determined communication graph. This makes it vulnerable to cyber attacks, especially denial of service (DoS) attacks that block communication channels that effectively change the communication graph. In this paper, we study two potential impacts of DoS attacks: the inability to maintain steady-state and dynamical generation-demand balance, i.e. the feasibility and stability issues. We develop a mathematical model to describe the cyber-induced system steady-state and dynamical performance. The model reveals the impacts of DoS attacks and enables formal analysis. Case studies are shown to verify the proposed work.

41 EE - Solar Energy Technologies Office (EE-4S)↗

A Data Processing Pipeline for Adversarial Socio-Technical Network Analysis

With the rapid adoption of emerging technologies, there is a need to catalog and model sociotechnical interdependencies that have been historically used to influence the operation of Critical Infrastructure networks including the impacts of mergers and acquisitions, hostile takeovers, and foreign investment. Our research intends to address this need with two primary contributions. First, we have developed a data curation and processing pipeline to generate sociotechnical networks extracted from a variety of data sources including SEC filings and infrastructure asset databases. The pipeline, implemented in Apache Airflow, extracts and normalizes the representation of entities and relations, specified within ontologies. Our intent is to provide an extensible, machine-actionable approach to quickly communicate such models, reproduce previous results, and adapt them to new, unanticipated situations. Second, networks produced by our pipeline enable the development of graph-theoretic metrics that consider the properties of network components in addition to its topology. Metadata associated with network components---whether semantic, temporal, or geospatial---affects the alignment of generated networks with assumptions underlying complexity metrics. Validation of generated networks relative to component types defined by an ontology, may allow the research community to adapt metrics to the semantics of the domains being studied. Generated networks may be processed as knowledge, dynamic, or spatial graphs and enables a variety of analyses including automated reasoning and measures of network complexity. Automated reasoning views extracted entities and relations as a knowledge graph; this enables application of inference rules that represent historically-attested adversarial business methods and applies that behavior to a specific geographic context. Measures of network complexity, including degree distribution, reachability analyses, temporal analysis, and community detection can be adapted to indicate adversarial organizational influence.

97 MATHEMATICS AND COMPUTING↗

Graph-based real-time fault diagnostics

A real-time fault detection and diagnosis capability is absolutely crucial in the design of large-scale space systems. Some of the existing AI-based fault diagnostic techniques like expert systems and qualitative modelling are frequently ill-suited for this purpose. Expert systems are often inadequately structured, difficult to validate and suffer from knowledge acquisition bottlenecks. Qualitative modelling techniques sometimes generate a large number of failure source alternatives, thus hampering speedy diagnosis. In this paper we present a graph-based technique which is well suited for real-time fault diagnosis, structured knowledge representation and acquisition and testing and validation. A Hierarchical Fault Model of the system to be diagnosed is developed. At each level of hierarchy, there exist fault propagation digraphs denoting causal relations between failure modes of subsystems. The edges of such a digraph are weighted with fault propagation time intervals. Efficient and restartable graph algorithms are used for on-line speedy identification of failure source components.

Padalkar, S.↗

Graph theory approach to determine configurations of multidentate and high coverage adsorbates for heterogeneous catalysis

Abstract Heterogeneous catalysts constitute a crucial component of many industrial processes, and to gain an understanding of the atomic-scale features of such catalysts, ab initio density functional theory is widely employed. Recently, growing computational power has permitted the extension of such studies to complex reaction networks involving either high adsorbate coverages or multidentate adsorbates, which bind to the surface through multiple atoms. Describing all possible adsorbate configurations for such systems, however, is often not possible based on chemical intuition alone. To systematically treat such complexities, we present a generalized Python-based graph theory approach to convert atomic scale models into undirected graph representations. These representations, when combined with workflows such as evolutionary algorithms, can systematically generate high coverage adsorbate models and classify unique minimum energy multidentate adsorbate configurations for surfaces of low symmetry, including multi-elemental alloy surfaces, steps, and kinks. Two case studies are presented which demonstrate these capabilities; first, an analysis of a coverage-dependent phase diagram of absorbate NO on the Pt 3 Sn(111) terrace surface, and second, an investigation of adsorption energies, together with identifying unique minimum energy configurations, for the reaction intermediate propyne (CHCCH 3 *) adsorbed on a PdIn(021) step surface. The evolutionary algorithm approach reproduces high coverage configurations of NO on Pt 3 Sn(111) using only 15% of the number of simulations required for a brute force approach. Furthermore, the screening of potentially hundreds of multidentate adsorbates is shown to be possible without human intervention. The strategy presented is quite general and can be applied to a spectrum of complex atomic systems.

36 MATERIALS SCIENCE↗

Analytical study to define a helicoper stability derivative extraction method, volume 2

The data generated during tests to determine helicopter stability derivatives are presented in the form of graphs. The data are based on CH-53A helicopters and CH-54B helicopters with various digital filters operating at various airspeeds. Curves are plotted for a time history comparison of identified derivative models against flight data for the helicopters at specific airspeeds and maneuvers.

Molusis, J. A.↗

ASK Magazine; No. 21

THIS ISSUE FEATURES A VISUAL DEPICTION OF THE ACADEMY of Program and Project Leadership (APPL). I imagine a variety of initial reactions to the drawing. One might be, "What is a cartoon doing in a magazine about project management?" Or perhaps, "Wow, nice colors-and fun." Another may be to closely search the image for signs, symbols and meaning. Still another, to read a new level of innovation and creativity into the picture. Undoubtedly, some readers will raise questions about the cost. Of course, any reaction is a sign of engagement. The stronger, the more energized the emotional and cognitive processing, the better. It is a sign of attention and interaction. For I've heard it said, "You only need to worry if they don t care one way or the other." So what is the point of the picture? To stimulate interest, raise questions, promote discussion, and maybe raise a smile.. .That, at least, was my initial reaction when I was introduced to the work of Nancy Hegedus, who helps to create these drawings for Root Learning Inc. At the NASA PM Conference, I was first shown the work Nancy had been doing with the help of Goddard s Knowledge Management Architect, Dr. Ed Rogers. I was immediately drawn into the power of visualization as a tool for more effective learning, communicating, and conveying complex knowledge concepts. We need new tools in today s world, where information and data overwhelms by sheer volume. There are articles, pamphlets, communications, and white papers-all aiming to convince and influence. Reactions to these tend to be either avoidance or mind-numbing, heavy-eyed consent; the message never registers or enters the soul. That s one of the reasons that APPL s Knowledge Sharing Initiative (KSI) has turned to storytelling as a memorable way of transfer- ring knowledge, inspiring imitation of best practices, and spurring reflection. ASK Magazine s recent fourth birthday marks an important milestone in APPL s continuing quest to provide ongoing support to project managers and to promote mission success. And similar to storytelling, the power of visualization is receiving increasing attention in recent years as a way to stimulate engagement. Pictures and visual graphs are viewed as one of the most effective ways for displaying, describing, and generating discussion about quantitative and technically complex information. Prototypes, models, and simulations are considered essential for stimulating innovation through open and engaging discussions. There has also been extensive writing on the use of visual graphics, pictures, and cartoons to facilitate memory, creativity, openness, attention-and even well-being. For many of these reasons, I am excited to have a colorful visual depiction of the APPL world included in ASK. Without the addition of text or slides, the intent is to invite people into the world of the APPL mission-as well as its products, services, customers, and partners- in a fun and engaging manner. As project leaders strive to find ways to encourage engagement, learning, and transmission of knowledge, traditional technologies are proving to be as valuable as modern technologies. (But for those who want more information in the form of texts and slide presentations, we certainly have an abundance of those as well.)

Laufer, Alexander↗

Robot path planning for space-truss assembly

Construction, repair, and maintenance of space-based structures will require extensive planning of operations in order to effectively carry out these tasks. The path planning algorithm described here is a general approach to generating paths that guarantee collision avoidance for a single chain nonredundant or redundant robot. The algorithm uses a graph search of feasible points in position space, followed by a local potential field method that guarantees collision avoidance among objects, structures, and the robot arm as well as conformance to joint limit constraints. This algorithm is novel in its computation of goal attractive potential fields in Cartesian space, and computation of obstacle repulsive fields in robot joint space. These effects are combined to generate robot motion. Computation is efficiently implemented through the computation of the robot arm Jacobian and not the full inverse arm kinematics. These planning algorithms have been implemented and evaluated using existing space-truss designs, and are being integrated into the RPI-CIRSSE Testbed environment.

Muenger, Rolf↗

Software for Preprocessing Data from Rocket-Engine Tests

Three computer programs have been written to preprocess digitized outputs of sensors during rocket-engine tests at Stennis Space Center (SSC). The programs apply exclusively to the SSC E test-stand complex and utilize the SSC file format. The programs are the following: Engineering Units Generator (EUGEN) converts sensor-output-measurement data to engineering units. The inputs to EUGEN are raw binary test-data files, which include the voltage data, a list identifying the data channels, and time codes. EUGEN effects conversion by use of a file that contains calibration coefficients for each channel. QUICKLOOK enables immediate viewing of a few selected channels of data, in contradistinction to viewing only after post-test processing (which can take 30 minutes to several hours depending on the number of channels and other test parameters) of data from all channels. QUICKLOOK converts the selected data into a form in which they can be plotted in engineering units by use of Winplot (a free graphing program written by Rick Paris). EUPLOT provides a quick means for looking at data files generated by EUGEN without the necessity of relying on the PV-WAVE based plotting software.

Cheng, Chiu-Fu↗

Flood Susceptibility Mapping Using Machine Learning and Geospatial-Sentinel-1 SAR Integration for Enhanced Early Warning Systems

This study presents a comprehensive framework for flood susceptibility mapping by integrating geospatial factors with both statistical and machine learning models. Thirteen Flood-related factors, including DEM, slope, TWI, NDVI, etc., are extracted as features of models, and historical flood data derived from Sentinel-1 SAR from 2018 to 2023 are used as the target variables of the models. These datasets are analyzed using a frequency-based statistical model and three machine learning models, including Random Forest, XGBoost, and CNN, to generate flood susceptibility maps. The performance of each model is evaluated through AUC; and SHAP scores are separately generated for Machine learning (ML) models to explain each feature contribution in the ML model. The generated susceptibility maps are validated by high-flood-risk locations monitored by flood sensors, BLE inundation models, and flood-prone areas suggested by the Local Community Task Force. The results indicate that the XGBoost model outperforms all other models, with an AUC of 0.92 and demonstrates the highest alignment with recommended high-flood-risk locations, while the frequency-based statistical model showed the weakest performance with an AUC of 0.65. SHAP value graphs highlight the elevation, slope, and TWI as the most influential features across all models. The susceptibility maps generated by the machine learning model show strong agreement with the BLE map and high-flood-risk areas identified by the local Community Task Force.

Google Engine↗

3D_MolGNN_RL

3D-MolGNNRL, couples reinforcement learning (RL) to a deep generative model based on 3D-Scaffold to generate target candidates specific to a protein pocket building up atom by atom from the core scaffold. 3D-MolGNNRL provides an efficient way to optimize key features within a protein pocket using a parallel graph neural network model. The agent learns to build molecules in 3D space while optimizing the binding affinity, potency, and synthetic accessibility of the candidates generated for the SARS-CoV-2 Main protease

Kumar, Neeraj↗

A user-friendly, menu-driven, language-free laser characteristics curves graphing program for desk-top IBM PC compatible computers

A facility was established that uses collected data and feeds it into mathematical models that generate improved data arrays by correcting for various losses, base line drift, and conversion to unity scaling. These developed data arrays have headers and other identifying information affixed and are subsequently stored in a Laser Materials and Characteristics data base which is accessible to various users. The two part data base: absorption - emission spectra and tabulated data, is developed around twelve laser models. The tabulated section of the data base is divided into several parts: crystalline, optical, mechanical, and thermal properties; aborption and emission spectra information; chemical name and formulas; and miscellaneous. A menu-driven, language-free graphing program will reduce and/or remove the requirement that users become competent FORTRAN programmers and the concomitant requirement that they also spend several days to a few weeks becoming conversant with the GEOGRAF library and sequence of calls and the continual refreshers of both. The work included becoming thoroughly conversant with or at least very familiar with GEOGRAF by GEOCOMP Corp. The development of the graphing program involved trial runs of the various callable library routines on dummy data in order to become familiar with actual implementation and sequencing. This was followed by trial runs with actual data base files and some additional data from current research that was not in the data base but currently needed graphs. After successful runs, with dummy and real data, using actual FORTRAN instructions steps were undertaken to develop the menu-driven language-free implementation of a program which would require the user only know how to use microcomputers. The user would simply be responding to items displayed on the video screen. To assist the user in arriving at the optimum values needed for a specific graph, a paper, and pencil check list was made available to use on the trial runs.

Klutz, Glenn↗

EPiC-GAN: Equivariant point cloud generation for particle jets

With the vast data-collecting capabilities of current and future high-energy collider experiments, there is an increasing demand for computationally efficient simulations. Generative machine learning models enable fast event generation, yet so far these approaches are largely constrained to fixed data structures and rigid detector geometries. In this paper, we introduce EPiC-GAN - equivariant point cloud generative adversarial network - which can produce point clouds of variable multiplicity. This flexible framework is based on deep sets and is well suited for simulating sprays of particles called jets. The generator and discriminator utilize multiple EPiC layers with an interpretable global latent vector. Crucially, the EPiC layers do not rely on pairwise information sharing between particles, which leads to a significant speed-up over graph- and transformer-based approaches with more complex relation diagrams. We demonstrate that EPiC-GAN scales well to large particle multiplicities and achieves high generation fidelity on benchmark jet generation tasks.

Buhmann, Erik↗

High-Throughput Screening of Li Solid-State Electrolytes With Bond Valence Methods and Graph Neural Networks

Li-based solid-state electrolyte (Li-SSE) materials enable safer, all-solid-state batteries but the computational search for candidates with favorable stability and Li-ion conductivity is challenging due to the size of the search space and the cost of evaluating transport properties with ab initio methods. We present a high-throughput screening approach for Li-SSE materials using a combination of bond-valence methods and graph neural networks. We demonstrate the screening approach with a dataset containing tens of thousands of Li-containing compounds. Furthermore, we combine the machine-learning screening procedure with an isovalent substitution scheme to generate and screen additional Li SSE candidates beyond existing databases. Finally, we discuss relative importances of geometric and bond-valence quantities in the training of graph neural networks, providing insight for future modeling of ionic conductivity in Li-SSE materials.

Materials discovery↗

Screening of Li-Based Solid Electrolytes Using Bond-Valence Methods and Graph Neural Networks

Li-based solid-state electrolyte (Li-SSE) materials enable safer, all-solid-state batteries but the computational search for candidates with favorable stability and Li-ion conductivity is challenging due to the size of the search space and the cost of evaluating transport properties with ab initio methods. We present a high-throughput screening approach for Li-SSE materials using a combination of bond-valence methods and graph neural networks. We demonstrate the screening approach with a dataset containing tens of thousands of Li-containing compounds. Furthermore, we combine the machine-learning screening procedure with an isovalent substitution scheme to generate and screen additional Li SSE candidates beyond existing databases. Finally, we discuss relative importances of geometric and bond-valence quantities in the training of graph neural networks, providing insight for future modeling of ionic conductivity in Li-SSE materials.

Materials discovery↗

Physics-Informed Graph Neural Networks for Collaborative Dynamic Reconfiguration and Voltage Regulation in Unbalanced Distribution Systems

Network reconfiguration has long been employed as a strategic approach to minimize power distribution system losses and effectively regulate voltage levels. Tap-changing voltage regulators are also critical for controlling bus voltages, especially in accommodating the increasing integration of distributed energy resources (DERs) with intermittent outputs. This paper introduces novel methodologies to address the challenges of dynamic reconfiguration and optimal tap setting in unbalanced three-phase distribution systems. We propose an approximated mixed-integer quadratically constrained program (MIQCP) to model dynamic reconfiguration, along with a pioneering formulation for voltage regulator (VR) tap-setting based on Special Ordered Set type 1 (SOS1). To mitigate computational complexity, we propose a physics-informed spatial-temporal graph convolutional network (STGCN) with an integrated link classifier. The proposed approach enables efficient solution generation by fixing specific variables in the MIQCP instance and solving the simplified sub-MIP using an MIP solver. Numerical studies demonstrate the superior prediction accuracy of our STGCN model compared to baseline neural network models, resulting in reduced DER curtailment and voltage deviation with shorter computation time.

dynamic reconfiguration↗

Grafana Plugin: Chord Diagram (esnet-chord-diagram) v1

The Esnet chord diagram is a plugin to the open source Grafana platform which lets users create chord diagrams based on data queried from configured data sources. Its designed as a general purpose chord visualization, which we often use internally to show quantitative relationships between network customers. The software itself uses the d3.js library to generate visuals and its primary value is making it easy to use these within Grafana. Graphing library Here: https://github.com/d3/d3-chord ISC License Grafana https://github.com/grafana/grafana AGPL3.0

Balas, Edward↗