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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 469 records · Page 26

All sources NASA NTRS DOE OSTI

NASA NTRS1994

Aspects of unstructured grids and finite-volume solvers for the Euler and Navier-Stokes equations

Basic algorithms for unstructured mesh generation and fluid flow calculation are discussed. In particular the following are addressed: preliminaries of graphs and meshes; duality and data structures; basic graph operations important in CFD (Computational Fluid Dynamics); triangulation methods, including Varonoi diagrams and Delaunay triangulation; maximum principle analysis; finite volume schemes for scalar conservation law equations; finite volume schemes for the Euler and Navier-Stokes equations; and convergence acceleration for steady state calculations.

Barth, T. J.↗

NASA NTRSDate not supplied

Astrobee's Multi-year Activities at the International Space Station's Japanese Experimental Module

The Astrobee free-flying robots recently completed their third successful year of operations, housed in the Japanese Experimental Module (JEM) on the International Space Station. We summarize the three years of operation, giving special attention to JAXA's 1st and 2nd Kibo Robot Programming Challenge (RPC) and the mapping processes and tools that make Astrobees' autonomous operation possible. The JEM is an ever changing, dynamic environment where light settings, cargo, payloads, and crew members constantly move and interact with one another. The 1st JAXA Kibo RPC event, a collaboration between JAXA and NASA, was held in 2020. Students from several countries in the Asia-Pacific region competed in programming challenges with a simulated Astrobee. The finalists were then invited to run their code on an actual Astrobee in the JEM. For the final round, students programmed Astrobee to visit three different locations to obtain data that would instruct the robot to complete a final task with the participation of ISS crew. The first competition was a tremendous success, leading to an equally successful 2nd JAXA Kibo RPC in 2021 with even larger participation. The 3rd JAXA Kibo RPC will occur in 2022 expanding further to incorporate US participants. These activities led to several firsts in Astrobee’s history: operation of an Astrobee free-flying robot without crew supervision in preparation for on-orbit operations, autonomous image acquisition towards updates of the navigation map, non-NASA code running on the robot (both from JAXA and participating students), two heterogeneous free-flying robots from two different space agencies working together (Int-Ball and Astrobee) during the final event in 2020, the first payload using Astrobee, and having Astrobee controlled from a non-NASA location (Tsukuba Space Center). The preparation towards these activities involved constant evaluation of the different components of Astrobee's systems, specially mapping and localization. The paper describes the evolution of these systems such as the improvements made in localization to reduce localization drift by using graph-based optimization instead of the extended Kalman Filter localizer. Additionally, it reports on the mapping process and analysis tools created to validate map consistency across different activities in the constantly changing JEM environment. These enhancements have enabled the Astrobee facility to successfully execute over 100 ISS activities supporting over a dozen researchers and partners around the world.

Astrobee↗

DOE OSTI2023

Digital Twin for Optimizing Real-time Economy of the Integrated Energy Systems

Economic and safe operation of integrated energy systems (IES) requires real-time optimization (RTO) of the control and actions conducted on each system component. In this regard, digital twins (DTs), which consist of a physical system, a virtual system, and the data communication that occurs between the two, are essential for effective RTO. Through the data warehouse, the virtual system is constantly updated with real-time data from the physical system, and functions as the model in the optimization framework. The reduced-order model of the dynamic process model in the virtual system is used in the optimization framework. The optimization results are then returned, via the data warehouse, as control actions to the physical system. This work demonstrates the software capabilities of DT assets for an IES in the context of preparing a DT for an experimental system comprised of Idaho National Laboratory (INL)’s Thermal Energy Delivery System and battery system. For the virtual demonstration, the DTs encompass (1) a physical system, including the Modelica models of the Thermal Energy Delivery System and the battery system; (2) virtual optimization via the Optimization of Real-Time Capacity Allocation (ORCA) platform; and (3) the open-source data warehouse software DeepLynx. This work assesses the performance of ORCA, which utilizes a reduced-order model built using the Risk Analysis Virtual Environment (RAVEN) and trained on the Modelica models and real-time data pipeline through the graph database hosted in DeepLynx. The proposed optimization workflow will be an RTO model based on DTs and the data they generate.

25 ENERGY STORAGE↗

DOE OSTI2023

The Monarch Initiative in 2024: an analytic platform integrating phenotypes, genes and diseases across species

Abstract Bridging the gap between genetic variations, environmental determinants, and phenotypic outcomes is critical for supporting clinical diagnosis and understanding mechanisms of diseases. It requires integrating open data at a global scale. The Monarch Initiative advances these goals by developing open ontologies, semantic data models, and knowledge graphs for translational research. The Monarch App is an integrated platform combining data about genes, phenotypes, and diseases across species. Monarch's APIs enable access to carefully curated datasets and advanced analysis tools that support the understanding and diagnosis of disease for diverse applications such as variant prioritization, deep phenotyping, and patient profile-matching. We have migrated our system into a scalable, cloud-based infrastructure; simplified Monarch's data ingestion and knowledge graph integration systems; enhanced data mapping and integration standards; and developed a new user interface with novel search and graph navigation features. Furthermore, we advanced Monarch's analytic tools by developing a customized plugin for OpenAI’s ChatGPT to increase the reliability of its responses about phenotypic data, allowing us to interrogate the knowledge in the Monarch graph using state-of-the-art Large Language Models. The resources of the Monarch Initiative can be found at monarchinitiative.org and its corresponding code repository at github.com/monarch-initiative/monarch-app.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2018

Modeling Principles Using the Relation Between Lagrange Multipliers and Bond Graphs

Final document is attached. Modeling dynamic systems by bond graphs has become state of the art technology since hundreds of researchers around the world have incorporated the technology in many fields of engineering and science. The legacy of its invertor Prof. Henry Paynter at MIT in 1959 is now a fundamental and practical technique to understand reality by building computer models. This paper addresses a particular aspect of this technology when modeling of mechanical systems require relaxation of constraints by means of Lagrange principles. Lagrange's equations are a useful means of describing and solving systems with kinematic constraints. Lagrange multipliers are variables used in equations to find the extremes of multivariate functions. Here we explore the relation of Lagrange multipliers to solve modeling difficulties of a space vehicle with equations with dependent derivatives. Lagrange multipliers were used in conjunction with bond graphs to simulate a system where joints of kinematic linkages produce dependent derivatives. NASA's Morpheus Project lunar lander was used as a case study. The Morpheus Project is a terrestrial test vehicle designed to fly the terminal descent trajectory of a lunar lander to advance the Autonomous Landing Hazard Avoidance Technology (ALHAT). An objective of this study is to apply the modeling approach herein to capture the dynamic movement of the lander as the propellant is sloshed and consumed. This paper expands further the analysis presented by (Granda, J J. Nguyen, L, Carlson, T, Sahragard-Monfared, G., Fornalski, E., Brocker 2016). Using an automated approach bond graph models of state space equations were generated using the Computer Aided Modeling Program (CAMPG). Integral causality models and derivative causality models were considered in order to find the simpler solution for the mathematical dependencies produced in modeling this vehicle.

Granda, Jose J.↗

DOE OSTI2023

A Data Processing Pipeline for Socio-Technical Network Analysis [Slides]

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. 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. Measures of network complexity, such as degree distribution, reachability analyses, temporal analysis, and community detection may be adapted to indicate adversarial organizational influence. 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.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Harnessing graph convolutional neural networks for identification of glassy states in metallic glasses

Graph Convolutional Neural Networks (GCNNs) have emerged as powerful tools for analyzing materials. In this study, we employ GCNNs to examine structural characteristics of CuZr metallic glasses (MGs) and identify their states. We use molecular dynamics to simulate the quenching process of CuZr, using cooling rates ranging from 10 9 to 10 15 K/s, to produce six unique glassy states. For each state, we create a dataset comprising 1,800 distinct samples. We evaluate the effectiveness of various GCNNs, including Graph Attention Neural Network (GANN), Graph Sample and AggreGatE (GraphSAGE), Graph Isomorphism Network (GIN), and Relational Graph Convolutional Neural Network (RGCN). GANN and GraphSAGE demonstrate comparable performance, achieving an overall accuracy of 81% in classifying the MG states. Furthermore, these results underscore the potential of GCNNs to detect subtle structural variances in disordered materials and point to broader application of deep learning in the analysis of MGs and other amorphous substances.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Triangle Counting with Cyclic Distributions

Triangles are the simplest non-trivial subgraphs and triangle counting is used in a number of different applications. The order in which vertices are processed in triangle counting strongly effects the amount of work that needs to be done (and thus the overall performance). Ordering vertices by degree has been shown to be one particularly effective ordering approach. However, for graphs with skewed degree distributions (such as power-law graphs), ordering by degree effects the distribution of work; parallelization must account for this distribution in order to balance work among workers. In this paper we provide an in- depth analysis of the ramifications of degree-based ordering on parallel triangle counting. We present approach for partitioning work in triangle counting, based on cyclic distribution and some surprisingly simple C++ implementations. Experimental results demonstrate the effectiveness of our approach, particularly for power-law (and social network) graphs.

Graph algorithms, parallel algorithms↗

DOE OSTI2023

Seven open problems in applied combinatorics

We present and discuss seven different open problems in applied combinatorics. Additionally, the application areas relevant to this compilation include quantum computing, algorithmic differentiation, topological data analysis, iterative methods, hypergraph cut algorithms, and power systems.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2019

Updating the Space Communications and Navigation (SCaN) Link Tool Executable Software to Version 5

NASA’s Space Communications and Navigation (SCaN) program is responsible for providing space communication channels in low Earth orbit, geosynchronous orbit, and deep space for a variety of space missions. The SCaN Link Tool is a standalone, executable, and personal computer (PC)-based software operated via a user interface, which provides NASA civil servants and contractors, as well as the public by way of the tool’s inclusion in the NASA Software Catalog, with in-depth satellite communications link analysis capability. Version 4 of the tool was built using PythonTM (Python Software Foundation) with the help of libraries such as NumPy and SciPy for numerical calculations, Matplotlib for graphical visualizations, and PyQt5 for the graphical user interface. It utilizes radiofrequency (RF) and optical communications link analysis calculations to give users the ability to input known link parameters and calculate select link performance outputs. With the development of the next-generation architecture for space satellite communications in the coming decade, NASA will benefit by having more in-depth communications link analysis tools at its disposal. The tool’s update from version 4 to version 5 aims to provide higher output value accuracy, the ability to solve for a more diverse set of output variables, as well as analog and digital repeater capabilities. Options included in the tool’s functionality, such as the ability to save configuration parameter values, graphs, and results, as well as the provision of default parameter values, increase the tool’s versatility. Users will have access to in-depth, accurate communications link analysis as more advanced satellite constellations are designed and deployed by NASA and the growing commercial aerospace community.

Green, Jack L.↗

NASA NTRS1992

Frequency monitoring a LIDAR transmitter for pulse-by-pulse analysis and control

An electronic technique is described whereby the heterodyne mixing frequency of a pulsed LIDAR transmitter is displayed on a color-coded linear bar graph. The technique is of great utility for manually fine tuning the laser output frequency when the use of conventional frequency counters and spectrum analyzers is impractical in a rapidly firing system.

Esproles, Carlos↗

DOE OSTI2022

Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis

Abstract Heterogeneous catalytic reactions are influenced by a subtle interplay of atomic-scale factors, ranging from the catalysts’ local morphology to the presence of high adsorbate coverages. Describing such phenomena via computational models requires generation and analysis of a large space of atomic configurations. To address this challenge, we present Adsorbate Chemical Environment-based Graph Convolution Neural Network (ACE-GCN), a screening workflow that accounts for atomistic configurations comprising diverse adsorbates, binding locations, coordination environments, and substrate morphologies. Using this workflow, we develop catalyst surface models for two illustrative systems: (i) NO adsorbed on a Pt 3 Sn(111) alloy surface, of interest for nitrate electroreduction processes, where high adsorbate coverages combined with low symmetry of the alloy substrate produce a large configurational space, and (ii) OH* adsorbed on a stepped Pt(221) facet, of relevance to the Oxygen Reduction Reaction, where configurational complexity results from the presence of irregular crystal surfaces, high adsorbate coverages, and directionally-dependent adsorbate-adsorbate interactions. In both cases, the ACE-GCN model, trained on a fraction (~10%) of the total DFT-relaxed configurations, successfully describes trends in the relative stabilities of unrelaxed atomic configurations sampled from a large configurational space. This approach is expected to accelerate development of rigorous descriptions of catalyst surfaces under in-situ conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Linear complexity

We present factorization and solution phases for a new linear complexity direct solver designed for concurrent batch operations on fine-grained parallel architectures, for matrices amenable to hierarchical representation. We focus on the strong-admissibility-based $\mathscr{H}^{2}$ format, where strong recursive skeletonization factorization compresses remote interactions. We build upon previous implementations of $\mathscr{H}^{2}$ matrix construction for efficient factorization and solution algorithm design, which are illustrated graphically in stepwise detail. The algorithms are ‘blackbox’ in the sense that the only inputs are the matrix and right-hand side, without analytical or geometrical information about the origin of the system. We demonstrate linear complexity scaling in both time and memory on four representative families of dense matrices up to one million in size. Parallel scaling up to 16 threads is enabled by a multi-level matrix graph coloring and avoidance of dynamic memory allocations thanks to prefix-sum memory management. An experimental backward error analysis is included. We break down the timings of different phases, identify phases that are memory-bandwidth limited, and discuss alternatives for phases that may be sensitive to the trend to employ lower precisions for performance.

Boukaram, Wajih↗

DOE OSTI2026

Predicting Band-Gap of Inorganic Materials Using Neuromorphic Graph Learning

Predicting properties of inorganic materials is a heavily researched topic, with several new prediction approaches emerging as competitors. One such competitor is graph neural networks, which leverage the structure of the graph to aid in the prediction process. In this work, we propose integration of neuromorphic computation into the graph neural network pipeline. We call this approach Neuromorphic Graph Learning (NGL). We utilize the NGL approach to leverage evolutionary algorithms and a novel Spike Pipeline for Raster Analysis (SPIRE) for the prediction of band gap in inorganic materials.

Mulet, Ian [University of Tennessee (UT)]↗

NASA NTRS1972

Mechanisms of oxidation in the Co-Cr system.

Oxidation has been studied both as a function of temperature in the range from 900 to 1300 C and of the partial pressure of oxygen in the range from 0.05 to 760 torr. In addition, microstructures of oxide scales have been studied and characterized in more detail utilizing metallographic and X-ray techniques combined with electron microprobe analysis. The parabolic rate constants in 1100 C and at 100 and 10 torr oxygen are presented in a graph as a function of chromium content. Three main different mechanisms of oxidation in the Co-Cr system have been identified. In two of these, the rate determining process controlling the oxidation is the solid state diffusion of cobalt through the oxide CoO. The rate controlling process governing the oxidation for the third mechanism is chromium diffusion in dichromium trioxide.

Kofstad, P. K.↗

NASA NTRS1980

Verification tests for a solar-heating system

Report describes method of verification of solar space heating and hot-water systems using similarity comparison, mathematical analysis, inspections, and tests. Systems, subsystems, and components were tested for performance, durability, safety, and other factors. Tables and graphs compliment test materials.

Source record↗

NASA NTRS1991

Modeling methods for the design and evaluation of fault-tolerant systems

The authors describe an approach for using directed graph simulation models, behavioral simulation models, and semi-Markov analytic models to implement early- to mid-design analysis activities specified by the SDIO BM/C3 Processor and Algorithm Working Group. The use of the models was demonstrated for a mission scenario requiring parallel, reliable computations with a maximum probability of system failure between 10-4 and 10-2 over a 5-year-preengagement phase and between 10-7 and 10-5 over a half-hour engagement phase.

Scheper, Charlotte O.↗

NASA NTRS1978

Tension Structure

The fabric structure pictured is the Campus Center of La Verne College, La Verne, California. Unlike the facilities shown on the preceding pages, it is not air-supported. It is a "tension structure," its multi-coned fabric membrane supported by a network of cables attached to steel columns which function like circus tent poles. The spider-web in the accompanying photo is a computer graph of the tension pattern. The designers, Geiger-Berger Associates PC, of New York City, conducted lengthy computer analysis to determine the the best placement of columns and cables. The firm also served as structural engineering consultant on the Pontiac Silverdome and a number of other large fabric structures. Built by Birdair Structures, Inc., Buffalo, New York, the La Verne Campus Center was the first permanent facility in the United States enclosed by the space-spinoff fabric made of Owens-Corning Beta fiber glass coated with Du Pont Teflon TFE. The flexible design permits rearrangement of the interior to accommodate athletic events, student activities, theatrical productions and other recreational programs. Use of fabric covering reduced building cost 30 percent below conventional construction.

Source record↗