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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 649 records · Page 36

Solving unstructured grid problems on massively parallel computers

A highly parallel graph mapping technique that enables one to efficiently solve unstructured grid problems on massively parallel computers is presented. Many implicit and explicit methods for solving discretized partial differential equations require each point in the discretization to exchange data with its neighboring points every time step or iteration. The cost of this communication can negate the high performance promised by massively parallel computing. To eliminate this bottleneck, the graph of the irregular problem is mapped into the graph representing the interconnection topology of the computer such that the sum of the distances that the messages travel is minimized. It is shown that using the heuristic mapping algorithm significantly reduces the communication time compared to a naive assignment of processes to processors.

Hammond, Steven W.↗

Multiscale characterization and representation of variability in ceramic matrix composites

Low density, high strength, and high creep and oxidation resistance properties of ceramic matrix composites (CMCs) make them an ideal choice for use in extreme environments in space and military applications. This paper presents a detailed characterization study of structural and manufacturing flaws in Carbon fiber Silicon-Carbide-Nitride matrix (C/SiNC) CMCs at different length-scales. Energy-dispersive spectroscopy (EDS) is used for the chemical characterization of the material’s elemental constituents. High-resolution multiscale graphs obtained from scanning electron microscope (SEM) and confocal laser scanning microscope (LSM) are used to characterize the distribution and morphology of defects at different length scales. This is followed by the classification and quantification of the common manufacturing defects. An image processing algorithm based on the image segmentation process is developed to quantify the variability of various scale-dependent architectural parameters. Finally, a three-dimensional stochastic representative volume element (SRVE) generation algorithm is developed to provide precise representations of material textures at multiple length scales. The developed algorithm accurately accounts for material features and flaws based on a range of multiscale structural and defects characterization results.

36 MATERIALS SCIENCE↗

DNA parts and gene constructs for plant biodesign

Plant biodesign requires the knowledge of DNA parts (e.g., genes, promoters, terminators), along with their combinations (as gene constructs) linked to engineered traits. DNA parts with validated or predicted functions in plants have been deposited in various online databases. However, these existing databases focus on basic biological functions of individual DNA parts, leaving a gap between basic knowledge and bioengineering applications. To fill this knowledge gap, we have created a user-friendly, open-ended database as a knowledge graph linking DNA parts to gene constructs to traits. This database contains experimentally validated DNA parts and gene constructs documented in peer-reviewed publications. The DNA parts include 1) molecular components with biological functions, such as genes involved in various biological processes (e.g., metabolic and signal transduction pathways) and 2) molecular components with technical functions, such as gene expression, genome engineering and sequence splicing. The gene constructs deposited in this database include both single-gene and multi-gene constructs. This database allows users to submit DNA parts and gene construct compositions linked to engineered traits described in peer-reviewed publications, providing a public digital repository for sharing the biodesign information among the researchers in the fields of plant biotechnology and plant synthetic biology.

plant biodesign synthetic biology gene constructs ↗

Systems analysis methodology for large scale systems

The objective is to develop a systematic approach for defining and evaluating alternative strategies for developing data processing and management systems. Various techniques and systems engineering tools are integrated to develop and present to the analysts and users an early definition of services desired along with probable and compatible operations concepts. Information is presented in the form of outlines, graphs and charts.

Moe, Karen L.↗

Performability analysis using semi-Markov reward processes

Beaudry (1978) proposed a simple method of computing the distribution of performability in a Markov reward process. Two extensions of Beaudry's approach are presented. The method is generalized to a semi-Markov reward process by removing the restriction requiring the association of zero reward to absorbing states only. The algorithm proceeds by replacing zero-reward nonabsorbing states by a probabilistic switch; it is therefore related to the elimination of vanishing states from the reachability graph of a generalized stochastic Petri net and to the elimination of fast transient states in a decomposition approach to stiff Markov chains. The use of the approach is illustrated with three applications.

Ciardo, Gianfranco↗

Software to Control and Monitor Gas Streams

This software package interfaces with various gas stream devices such as pressure transducers, flow meters, flow controllers, valves, and analyzers such as a mass spectrometer. The software provides excellent user interfacing with various windows that provide time-domain graphs, valve state buttons, priority- colored messages, and warning icons. The user can configure the software to save as much or as little data as needed to a comma-delimited file. The software also includes an intuitive scripting language for automated processing. The configuration allows for the assignment of measured values or calibration so that raw signals can be viewed as usable pressures, flows, or concentrations in real time. The software is based on those used in two safety systems for shuttle processing and one volcanic gas analysis system. Mass analyzers typically have very unique applications and vary from job to job. As such, software available on the market is usually inadequate or targeted on a specific application (such as EPA methods). The goal was to develop powerful software that could be used with prototype systems. The key problem was to generalize the software to be easily and quickly reconfigurable. At Kennedy Space Center (KSC), the prior art consists of two primary methods. The first method was to utilize Lab- VIEW and a commercial data acquisition system. This method required rewriting code for each different application and only provided raw data. To obtain data in engineering units, manual calculations were required. The second method was to utilize one of the embedded computer systems developed for another system. This second method had the benefit of providing data in engineering units, but was limited in the number of control parameters.

Arkin, C.↗

Cyber-Physical Reconfiguration for Disaster Resilience of Power Distribution Systems

Cyber-physical distribution systems (CPDS) have emerged from the integration of information technology into distribution systems. While offering substantial benefits, this integration also introduces vulnerabilities. The interaction between cyber networks and distribution systems renders CPDS susceptible to disasters. To ensure critical load supply and system resilience, rapid post-disaster load restoration is required. The paper proposes a critical load restoration (CLR) framework in CPDS using a network reconfiguration approach that exploits the existing post-disaster resources to restore critical loads within the shortest possible time. Using graph theory, the cyber network and distribution system are integrated into a single digraph, minimizing the CLR complexity in CPDS. A cost metric is also defined to satisfy network-specific objectives and constraints. A heuristic is proposed to guide the load restoration process using the cost metric within the integrated digraph. Simulation results confirm the framework's superiority over existing literature, which either overlooks cyber components or prolongs restoration with additional resource deployment.

cyber-physical system↗

Quasars as indicators of galactic ages

Theoretical models of QSO evolution and their use in estimating the ages of galaxies containing QSOs are discussed, with a focus on the problems involved in extrapolating from statistical data on relatively nearby objects (z less than 2) to characterize distant objects. Graphs and histograms are provided, and it is concluded that the sharp decrease in the number of QSOs between z = 2 and z =3, if not the result of obscuration or some other selection effect, makes it probable that the galaxy-formation processes which led to the formation of the QSOs occurred at z greater than 5. In that case, the QSOs would be one of the only observational probes of these processes. Mechanisms which could account for the time delay between galaxy formation and QSO turn-on are considered.

Cavaliere, A.↗

A Segmentation Algorithm for Characterizing Rise and Fall Segments in Seasonal Cycles: An Application to XCO2 to Estimate Benchmarks and Assess Model Bias

There is more useful information in the time series of satellite-derived column-averaged carbon dioxide (XCO2) than is typically characterized. Often, the entire time series is treated at once without considering detailed features at shorter timescales, such as nonstationary changes in signal characteristics – amplitude, period and phase. In many instances, signals are visually and analytically differentiable from other portions in a time series. Each rise (increasing) and fall (decreasing) segment in the seasonal cycle is visually discernable in a graph of the time series. The rise and fall segments largely result from seasonal differences in terrestrial ecosystem production, which means that the segment's signal characteristics can be used to establish observational benchmarks because the signal characteristics are driven by similar underlying processes. We developed an analytical segmentation algorithm to characterize the rise and fall segments in XCO2 seasonal cycles. We present the algorithm for general application of the segmentation analysis and emphasize here that the segmentation analysis is more generally applicable to cyclic time series. We demonstrate the utility of the algorithm with specific results related to the comparison between satellite- and model-derived XCO2 seasonal cycles (2009–2012) for large bioregions across the globe. We found a seasonal amplitude gradient of 0.74–0.77 ppm for every 10∘ of latitude in the satellite data, with similar gradients for rise and fall segments. This translates to a south–north seasonal amplitude gradient of 8 ppm for XCO2, about half the gradient in seasonal amplitude based on surface site in situ CO2 data (∼19 ppm). The latitudinal gradients in the period of the satellite-derived seasonal cycles were of opposing sign and magnitude (−9 d per 10∘ latitude for fall segments and 10 d per 10∘ latitude for rise segments) and suggest that a specific latitude (∼2∘ N) exists that defines an inversion point for the period asymmetry. Before (after) the point of asymmetry inversion, the periods of rise segments are lesser (greater) than the periods of fall segments; only a single model could reproduce this emergent pattern. The asymmetry in amplitude and the period between rise and fall segments introduces a novel pattern in seasonal cycle analyses, but, while we show these emergent patterns exist in the data, we are still breaking ground in applying the information for science applications. Maybe the most useful application is that the segmentation analysis allowed us to decompose the model biases into their correlated parts of biases in amplitude, period and phase independently for rise and fall segments. We offer an extended discussion on how such information about model biases and the emergent patterns in satellite-derived seasonal cycles can be used to guide future inquiry and model development.

Calle, Leonardo↗

A Segmentation Algorithm for Characterizing Rise and Fall Segments in Seasonal Cycles: an Application to Xco2 to Estimate Benchmarks and Assess Model Bias

There is more useful information in the time series of satellite-derived column-averaged carbon dioxide (XCO2) than is typically characterized. Often, the entire time series is treated at once without considering detailed features at shorter timescales, such as nonstationary changes in signal characteristics – amplitude, period and phase. In many instances, signals are visually and analytically differentiable from other portions in a time series. Each rise (increasing) and fall (decreasing) segment in the seasonal cycle is visually discernable in a graph of the time series. The rise and fall segments largely result from seasonal differences in terrestrial ecosystem production, which means that the segment's signal characteristics can be used to establish observational benchmarks because the signal characteristics are driven by similar underlying processes. We developed an analytical segmentation algorithm to characterize the rise and fall segments in XCO2 seasonal cycles. We present the algorithm for general application of the segmentation analysis and emphasize here that the segmentation analysis is more generally applicable to cyclic time series. We demonstrate the utility of the algorithm with specific results related to the comparison between satellite- and model-derived XCO2 seasonal cycles (2009–2012) for large bioregions across the globe. We found a seasonal amplitude gradient of 0.74–0.77 ppm for every 10∘ of latitude in the satellite data, with similar gradients for rise and fall segments. This translates to a south–north seasonal amplitude gradient of 8 ppm for XCO2, about half the gradient in seasonal amplitude based on surface site in situ CO2 data (∼19 ppm). The latitudinal gradients in the period of the satellite-derived seasonal cycles were of opposing sign and magnitude (−9 d per 10∘ latitude for fall segments and 10 d per 10∘ latitude for rise segments) and suggest that a specific latitude (∼2∘ N) exists that defines an inversion point for the period asymmetry. Before (after) the point of asymmetry inversion, the periods of rise segments are lesser (greater) than the periods of fall segments; only a single model could reproduce this emergent pattern. The asymmetry in amplitude and the period between rise and fall segments introduces a novel pattern in seasonal cycle analyses, but, while we show these emergent patterns exist in the data, we are still breaking ground in applying the information for science applications. Maybe the most useful application is that the segmentation analysis allowed us to decompose the model biases into their correlated parts of biases in amplitude, period and phase independently for rise and fall segments. We offer an extended discussion on how such information about model biases and the emergent patterns in satellite-derived seasonal cycles can be used to guide future inquiry and model development.

segmentation algorithm↗

Quantum Leap: Evaluating the Feasibility of Quantum Machine Learning Using NASA Earth Observational Data

This study explores the feasibility of leveraging quantum machine learning (QML) to analyze NASA Earth Observational (EO) data for climate change research, with a particular focus on the phenomenon of ”crop frosting” which has become more prevalent due to climate change. We implemented and evaluated two QML models, the Variational Quantum Classifier (VQC) and Quantum Support Vector Classifier (QSVC), in both simulated and real quantum computing environments using a 127 qubit IBM quantum processor. Our study emphasizes the scientific rigor in comparing these quantum models with a classical Support Vector Machine (SVM) classifier, highlighting their performance in processing climate data. The results offer valuable insights into the potential scientific advantages, limitations, and scalability of QML for analyzing EO datasets, thus paving the way for more advanced climate modeling and predictive analytics using quantum computing. We showcased how Environmental Interaction Knowledge Graphs (EIKGs) and Digital Twins (DTs) can be integrated into this study. This research underscores the transformative potential of Classical and QML leveraging KGs and DT to address the multifaceted challenges posed by climate change.

Quantum Computing↗

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↗

Chokepoints in Mechanical Coupling Associated with Allosteric Proteins: The Pyruvate Kinase Example

Although the critical role of allostery in controlling enzymatic processes is well appreciated, there is a current dearth in our understanding of its underlying mechanisms, including communication between binding sites. One potential key aspect of inter-site communication is the mechanical coupling between residues in a protein. Here, we introduce a graph-based computational approach to investigate the mechanical coupling between distant parts of a protein, highlighting effective pathways via which protein motion can transfer energy between sites. In this method, each residue is treated as a node on a weighted, undirected graph, where the edges are defined by locally correlated motions of those residues and weighted by the strength of the correlation. The method was validated against experimental data on allosteric regulation in the human liver pyruvate kinase as obtained from full-protein alanine-scanning mutagenesis (systematic mutation) studies. The method provides semi-quantitative information on the regulatory importance of specific structural elements. It is shown that these elements are key for the mechanical coupling between distant parts of the protein by providing effective pathway for energy transfer. It is also shown that, while there are a multitude of energy transfer pathways between distant parts of a protein, these pathways share a few common nodes that represent effective “chokepoints.”

Johnson, Lewis E.↗

Essential Signal Simulation Enabled by Netlist Transforms (ESSENT) v1.0

Hardware simulation is an indispensable tool for designing chips as well as researching future architectures. Unfortunately, the slow rate of simulation can often bottleneck the design process, as designers must wait to see the results of a simulation before changing the design and starting a new simulation. The Essential Signal Simulation Enabled by Netlist Transforms (ESSENT) is a tool designed to accelerate hardware simulations. ESSENT takes in a design, uses graph algorithms to identify opportunities for conditional execution, and generates a simulator that leverages these opportunities. The generated simulator produces the exact same simulation results that would be returned by an unoptimized simulator, but in substantially less time. For input, ESSENT takes in designs formatted in FIRRTL (an open format).

Beamer, Scott↗

Experimental Observations of the Topology of Convolutional Neural Network Activations

Topological data analysis (TDA) is a branch of computational mathematics, bridging algebraic topology and data science, that provides compact, noise-robust representations of complex structures. Deep neural networks (DNNs) learn millions of parameters associated with a series of transformations defined by the model architecture resulting in high-dimensional, difficult to interpret internal representations of input data. As DNNs become more ubiquitous across multiple sectors of our society, there is increasing recognition that mathematical methods are needed to aid analysts, researchers, and practitioners in understanding and interpreting how these models' internal representations relate to the final classification. In this paper we apply cutting edge techniques from TDA with the goal of gaining insight towards interpretability of convolutional neural networks used for image classification. We use two common TDA approaches to explore several methods for modeling hidden layer activations as high-dimensional point clouds, and provide experimental evidence that these point clouds capture valuable structural information about the model's process. First, we demonstrate that a distance metric based on persistent homology can be used to quantify meaningful differences between layers and discuss these distances in the broader context of existing representational similarity metrics for neural network interpretability. Second, we show that a mapper graph can provide semantic insight as to how these models organize hierarchical class knowledge at each layer. These observations demonstrate that TDA is a useful tool to help deep learning practitioners unlock the hidden structures of their models.

topological data analysis, deep learning↗

AMORE-Isoprene v1.0: a new reduced mechanism for gas-phase isoprene oxidation

Abstract. Gas-phase oxidation of isoprene by ozone (O3) and the hydroxyl (OH) and nitrate (NO3) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ∼ 10 to ∼ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as inputs a full isoprene oxidation mechanism, the environmental parameter space, and a list of priority species which are protected from elimination during the reduction process. Our reduced mechanism, AMORE-Isoprene (where AMORE stands for Automated Model Reduction), consists of 12 species which are unique to the isoprene mechanism as well as 22 reactions. We demonstrate its performance in a box model in comparison with experimental data from the literature and other current isoprene oxidation mechanisms. AMORE-Isoprene's performance with respect to predicting the time evolution of isoprene oxidation products, including isoprene epoxydiols (IEPOX) and formaldehyde, is favorable compared with other similarly sized mechanisms. When AMORE-Isoprene is included in the Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) in the Community Multiscale Air Quality Model (CMAQ, v5.3.3), O3 and formaldehyde agreement with Environmental Protection Agency (EPA) Air Quality System observations is improved. O3 bias is reduced by 3.4 ppb under daytime conditions for O3 concentrations over 50 ppb. Formaldehyde bias is reduced by 0.26 ppb on average for all formaldehyde measurements compared with the base CRACMM1. There was no significant change in computation time between CRACMM1AMORE and the base CRACMM. AMORE-Isoprene shows a 35 % improvement in agreement between simulated IEPOX concentrations and chamber data over the base CRACMM1 mechanism when compared in the Framework for 0-D Atmospheric Modeling (F0AM) box model framework. This work demonstrates a new highly reduced isoprene mechanism and shows the potential value of automated model reduction for complex reaction systems.

58 GEOSCIENCES↗

A case study on the application of geosynchronous satellite infrared data to estimate soil moisture

The use of GOES IR temperature data to estimate soil moisture content is discussed and demonstrated, modifying the procedure proposed by Wetzel et al. (1984) to provide for incorporation of independent measurements of vegetation biomass, geostrophic wind speed, and surface dewpoint. Data acquisition, processing, and the statistical approach employed are described; data for Kansas and Nebraska during a six-day period in July 1978 are analyzed; and a statistical relationship between observed surface temperature and antecedent precipitation index is established. The results are presented in tables, graphs, and maps, and the regression procedure is found to predict antecedent precipitation with statistically significant precision.

Woodward, R. H.↗

OCAM - A CELSS modeling tool: Description and results

Controlled Ecological Life Support System (CELSS) technology is critical to the Space Exploration Initiative. NASA's Kennedy Space Center has been performing CELSS research for several years, developing data related to CELSS design. We have developed OCAM (Object-oriented CELSS Analysis and Modeling), a CELSS modeling tool, and have used this tool to evaluate CELSS concepts, using this data. In using OCAM, a CELSS is broken down into components, and each component is modeled as a combination of containers, converters, and gates which store, process, and exchange carbon, hydrogen, and oxygen on a daily basis. Multiple crops and plant types can be simulated. Resource recovery options modeled include combustion, leaching, enzyme treatment, aerobic or anaerobic digestion, and mushroom and fish growth. Results include printouts and time-history graphs of total system mass, biomass, carbon dioxide, and oxygen quantities; energy consumption; and manpower requirements. The contributions of mass, energy, and manpower to system cost have been analyzed to compare configurations and determine appropriate research directions.

Drysdale, Alan↗