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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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NASA NTRS1997

Visualization in the Design of Modern Aircraft Aerodynamics

Modem aircraft design involves study of airflow through both windtunnel testing and computer simulation. These computer simulations result in often very large and complex sets of numbers, which contain information critical to the aircrafts performance. This talk will describe how visualization is used to understand these simulations, using a variety of techniques including low-level analysis such as simulated particles, high-level feature detection, and virtual-reality-based techniques for exploration. We will focus on the challenges of extremely large data sets, interactive performance, and information extraction. The talk will close with a vision of the future including the integration of simulation and visualization.

Bryson, Steve↗

DOE OSTI2022

Netostat: analyzing dynamic flow patterns in high-speed networks

Understanding flow traffic patterns in networks, such as the Internet or service provider networks, is crucial to improving their design and building them robustly. However, as networks grow and become more complex, it is increasingly cumbersome and challenging to study how the many flow patterns, sizes and the continually changing source-destination pairs in the network evolve with time. Here, we present Netostat, a visualization-based network analysis tool that uses visual representation and a mathematics framework to study and capture flow patterns, using graph theoretical methods such as clustering, similarity and difference measures. Netostat generates an interactive graph of all traffic patterns in the network, to isolate key elements that can provide insights for traffic engineering. We present results for U.S. and European research networks, ESnet and GEANT, demonstrating network state changes, to identify major flow trends, potential points of failure, and bottlenecks.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Xi-cam : a versatile interface for data visualization and analysis

Xi-cam is an extensible platform for data management, analysis and visualization. Xi-cam aims to provide a flexible and extensible approach to synchrotron data treatment as a solution to rising demands for high-volume/high-throughput processing pipelines. The core of Xi-cam is an extensible plugin-based graphical user interface platform which provides users with an interactive interface to processing algorithms. Plugins are available for SAXS/WAXS/GISAXS/GIWAXS, tomography and NEXAFS data. With Xi-cam 's `advanced' mode, data processing steps are designed as a graph-based workflow, which can be executed live, locally or remotely. Remote execution utilizes high-performance computing or de-localized resources, allowing for the effective reduction of high-throughput data. Xi-cam 's plugin-based architecture targets cross-facility and cross-technique collaborative development, in support of multi-modal analysis. Xi-cam is open-source and cross-platform, and available for download on GitHub.

Pandolfi, Ronald J. (ORCID:0000000308248548)↗

DOE OSTI2024

Time-series metagenomics reveals changing protistan ecology of a temperate dimictic lake

Abstract Background Protists, single-celled eukaryotic organisms, are critical to food web ecology, contributing to primary productivity and connecting small bacteria and archaea to higher trophic levels. Lake Mendota is a large, eutrophic natural lake that is a Long-Term Ecological Research site and among the world’s best-studied freshwater systems. Metagenomic samples have been collected and shotgun sequenced from Lake Mendota for the last 20 years. Here, we analyze this comprehensive time series to infer changes to the structure and function of the protistan community and to hypothesize about their interactions with bacteria. Results Based on small subunit rRNA genes extracted from the metagenomes and metagenome-assembled genomes of microeukaryotes, we identify shifts in the eukaryotic phytoplankton community over time, which we predict to be a consequence of reduced zooplankton grazing pressures after the invasion of a invasive predator (the spiny water flea) to the lake. The metagenomic data also reveal the presence of the spiny water flea and the zebra mussel, a second invasive species to Lake Mendota, prior to their visual identification during routine monitoring. Furthermore, we use species co-occurrence and co-abundance analysis to connect the protistan community with bacterial taxa. Correlation analysis suggests that protists and bacteria may interact or respond similarly to environmental conditions. Cryptophytes declined in the second decade of the timeseries, while many alveolate groups (e.g., ciliates and dinoflagellates) and diatoms increased in abundance, changes that have implications for food web efficiency in Lake Mendota. Conclusions We demonstrate that metagenomic sequence-based community analysis can complement existing efforts to monitor protists in Lake Mendota based on microscopy-based count surveys. We observed patterns of seasonal abundance in microeukaryotes in Lake Mendota that corroborated expectations from other systems, including high abundance of cryptophytes in winter and diatoms in fall and spring, but with much higher resolution than previous surveys. Our study identified long-term changes in the abundance of eukaryotic microbes and provided context for the known establishment of an invasive species that catalyzes a trophic cascade involving protists. Our findings are important for decoding potential long-term consequences of human interventions, including invasive species introduction.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Evaluation system and web infrastructure for the second cryo-EM model challenge

An evaluation system and a web infrastructure were developed for the second cryo-EM model challenge. The evaluation system includes tools to validate stereo-chemical plausibility of submitted models, check their fit to the corresponding density maps, estimate their overall and per-residue accuracy, and assess their similarity to reference cryo-EM or X-ray structures as well as other models submitted in this challenge. The web infrastructure provides a convenient interface for analyzing models at different levels of detail. As a result, it includes interactively sortable tables of evaluation scores for different subsets of models and different sublevels of structure organization, and a suite of visualization tools facilitating model analysis.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1998

Intelligent Systems and Advanced User Interfaces for Design, Operation, and Maintenance of Command Management Systems

Historically Command Management Systems (CMS) have been large, expensive, spacecraft-specific software systems that were costly to build, operate, and maintain. Current and emerging hardware, software, and user interface technologies may offer an opportunity to facilitate the initial formulation and design of a spacecraft-specific CMS as well as a to develop a more generic or a set of core components for CMS systems. Current MOC (mission operations center) hardware and software include Unix workstations, the C/C++ and Java programming languages, and X and Java window interfaces representations. This configuration provides the power and flexibility to support sophisticated systems and intelligent user interfaces that exploit state-of-the-art technologies in human-machine systems engineering, decision making, artificial intelligence, and software engineering. One of the goals of this research is to explore the extent to which technologies developed in the research laboratory can be productively applied in a complex system such as spacecraft command management. Initial examination of some of the issues in CMS design and operation suggests that application of technologies such as intelligent planning, case-based reasoning, design and analysis tools from a human-machine systems engineering point of view (e.g., operator and designer models) and human-computer interaction tools, (e.g., graphics, visualization, and animation), may provide significant savings in the design, operation, and maintenance of a spacecraft-specific CMS as well as continuity for CMS design and development across spacecraft with varying needs. The savings in this case is in software reuse at all stages of the software engineering process.

Mitchell, Christine M.↗

DOE OSTI2024

An open-source data storage and visualization platform for collaborative qubit control

Developing collaborative research platforms for quantum bit control is crucial for driving innovation in the field, as they enable the exchange of ideas, data, and implementation to achieve more impactful outcomes. Furthermore, considering the high costs associated with quantum experimental setups, collaborative environments are vital for maximizing resource utilization efficiently. However, the lack of dedicated data management platforms presents a significant obstacle to progress, highlighting the necessity for essential assistive tools tailored for this purpose. Current qubit control systems are unable to handle complicated management of extensive calibration data and do not support effectively visualizing intricate quantum experiment outcomes. In this paper, we introduce Qubit Control Storage and Visualization ( QubiCSV ), a platform specifically designed to meet the demands of quantum computing research, focusing on the storage and analysis of calibration and characterization data in qubit control systems. As an open-source tool, QubiCSV facilitates efficient data management of quantum computing, providing data versioning capabilities for data storage and allowing researchers and programmers to interact with qubits in real time. The insightful visualization are developed to interpret complex quantum experiments and optimize qubit performance. QubiCSV not only streamlines the handling of qubit control system data but also improves the user experience with intuitive visualization features, making it a valuable asset for researchers in the quantum computing domain.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

Supporting Scientific Analysis within Collaborative Problem Solving Environments

Collaborative problem solving environments for scientists should contain the analysis tools the scientists require in addition to the remote collaboration tools used for general communication. Unfortunately, most scientific analysis tools have been designed for a "stand-alone mode" and cannot be easily modified to work well in a collaborative environment. This paper addresses the questions, "What features are desired in a scientific analysis tool contained within a collaborative environment?", "What are the tool design criteria needed to provide these features?", and "What support is required from the architecture to support these design criteria?." First, the features of scientific analysis tools that are important for effective analysis in collaborative environments are listed. Next, several design criteria for developing analysis tools that will provide these features are presented. Then requirements for the architecture to support these design criteria are listed. Sonic proposed architectures for collaborative problem solving environments are reviewed and their capabilities to support the specified design criteria are discussed. A deficiency in the most popular architecture for remote application sharing, the ITU T. 120 architecture, prevents it from supporting highly interactive, dynamic, high resolution graphics. To illustrate that the specified design criteria can provide a highly effective analysis tool within a collaborative problem solving environment, a scientific analysis tool that contains the specified design criteria has been integrated into a collaborative environment and tested for effectiveness. The tests were conducted in collaborations between remote sites in the US and between remote sites on different continents. The tests showed that the tool (a tool for the visual analysis of computer simulations of physics) was highly effective for both synchronous and asynchronous collaborative analyses. The important features provided by the tool (and made possible by the specified design criteria) are: 1. The tool provides highly interactive, dynamic, high resolution, 3D graphics. 2. All remote scientists can view the same dynamic, high resolution, 3D scenes of the analysis as the analysis is being conducted. 3. The responsiveness of the tool is nearly identical to the responsiveness of the tool in a stand-alone mode. 4. The scientists can transfer control of the analysis between themselves. 5. Any analysis session or segment of an analysis session, whether done individually or collaboratively, can be recorded and posted on the Web for other scientists or students to download and play in either a collaborative or individual mode. 6. The scientist or student who downloaded the session can, individually or collaboratively, modify or extend the session with his/her own "what if" analysis of the data and post his/her version of the analysis back onto the Web. 7. The peak network bandwidth used in the collaborative sessions is only 1K bit/second even though the scientists at all sites are viewing high resolution (1280 x 1024 pixels), dynamic, 3D scenes of the analysis. The links between the specified design criteria and these performance features are presented.

Watson, Velvin R.↗

NASA NTRS1989

Tools for 3D scientific visualization in computational aerodynamics

The purpose is to describe the tools and techniques in use at the NASA Ames Research Center for performing visualization of computational aerodynamics, for example visualization of flow fields from computer simulations of fluid dynamics about vehicles such as the Space Shuttle. The hardware used for visualization is a high-performance graphics workstation connected to a super computer with a high speed channel. At present, the workstation is a Silicon Graphics IRIS 3130, the supercomputer is a CRAY2, and the high speed channel is a hyperchannel. The three techniques used for visualization are post-processing, tracking, and steering. Post-processing analysis is done after the simulation. Tracking analysis is done during a simulation but is not interactive, whereas steering analysis involves modifying the simulation interactively during the simulation. Using post-processing methods, a flow simulation is executed on a supercomputer and, after the simulation is complete, the results of the simulation are processed for viewing. The software in use and under development at NASA Ames Research Center for performing these types of tasks in computational aerodynamics is described. Workstation performance issues, benchmarking, and high-performance networks for this purpose are also discussed as well as descriptions of other hardware for digital video and film recording.

Bancroft, Gordon↗

NASA NTRS1989

Aeroacoustic flowfield and acoustics of a model helicopter tail rotor at high advance ratio

Some results, relevant to rotorcraft noise generation process at high advance ratio, are presented in this paper from schlieren flow visualization and acoustic tests of a model tail rotor. The measured in-plane noise trends are consistent with the growth of the tip supersonic region seen in the schlieren visuals. Schlieren flow visuals reveal a propagating pressure wave in the second quadrant. Simultaneously measured acoustic data and the results of two-dimensional transonic Blade-Vortex Interaction analysis code ATRAN-2 indicate that this pressure wave is attributable to BVI activity in the first quadrant. This paper establishes that the transonic Blade-Vortex Interactions contribute to noise at high advance ratio level flight conditions.

Shenoy, Rajarama K.↗

NASA NTRS2021

PIXLISE-C: Exploring The Data Analysis Needs of NASA Scientists for Mineral Identification

NASA JPL scientists working on the micro x-ray fluorescence (microXRF) spectroscopy data collected from Mars surface perform data analysis to look for signs of past microbial life on Mars. Their data analysis workflow mainly involves identifying mineral com- pounds through the element abundance in spatially distributed data points. Working with the NASA JPL team, we identified pain points and needs to further develop their existing data visualization and analysis tool. Specifically, the team desired improvements for the process of creating and interpreting mineral composition groups. To address this problem, we developed an interactive tool that enables scientists to (1) cluster the data using either manual lasso-tool selection or through various machine learning clustering algorithms, and (2) compare the clusters and individual data points to make informed decisions about mineral compositions. Our preliminary tool supports a hybrid data analysis workflow where the user can manually refine the machine-generated clusters.

Davidoff, Scott↗

NASA NTRSDate not supplied

Using Kamodo for CCMC ITM Output and Beyond

Kamodo is an official NASA open source python software package that functionalizes diverse datasets from models and observations in a consistent way, enabling advanced scientific analysis and visualization with simplistic syntax. Here we demonstrate this ability using several ITM models available through the Community Coordinated Modeling Center (CCMC). Users can now interact directly with model outputs, and satellites can be virtually flown through model output to allow many types of model/model and data/model comparisons. We will also provide information about significant updates and improvements to Kamodo and future plans.

Open Source Software↗

DOE OSTI2023

Scalable Volume Visualization for Big Scientific Data Modeled by Functional Approximation

Considering the challenges posed by the space and time complexities in handling extensive scientific volumetric data, various data representations have been developed for the analysis of large-scale scientific data. Multivariate functional approximation (MFA) is an innovative data model designed to tackle substantial challenges in scientific data analysis. It computes values and derivatives with high-order accuracy throughout the spatial domain, mitigating artifacts associated with zero- or first-order interpolation. However, the slow query time through MFA makes it less suitable for interactively visualizing a large MFA model. In this work, we develop the first scalable interactive volume visualization pipeline, MFA-DVV, for the MFA model encoded from large-scale datasets. Our method achieves low input latency through distributed architecture, and its performance can be further enhanced by utilizing a compressed MFA model while still maintaining a high-quality rendering result for scientific datasets. We conduct comprehensive experiments to show that MFA-DVV can decrease the input latency and achieve superior visualization results for big scientific data compared with existing approaches.

big scientific dataset↗

DOE OSTI2018

Measurement of a Neutrino-Induced Charged Current Single Neutral Pion Cross Section at MicroBooNE

Micro Booster Neutrino Experiment (MicroBooNE) is a Liquid Argon Time Projection Chamber (LArTPC) operating in the Booster Neutrino Beamline at Fermi National Accelerator Laboratory. MicroBooNE's physics goals include studying short basline $\nu$ oscillation and performing a suite of low energy $\nu$ cross section measurements. Of particular interest to MicroBooNE, and the broader LArTPC community, are electromagnetic showers; these showers are at the heart of searches for charged current $\nu_e$ interactions, including MicroBooNE's flagship search for a MiniBooNE-like low energy excess (LEE). Neutral current $\pi^0$'s, which decay into 2 electromagnetic showers ($\gamma$'s), are the dominant source of non-$\nu_e$ backgrounds in searches for $\nu_{\mu}\rightarrow\nu_e$ oscillations in LArTPCs, such as the LEE. While precise measurements of this neutral current channel will provide a tight constraint on our modeling uncertainties, such events are particularly difficult to iden tify in data with our current tools, as there is often little or no activity at the neutrino interaction point. Charged current interactions, on the other hand, have simpler topologies with a long $\mu$ track that anchors to the interaction vertex. With a vertex in hand, we can develop automated reconstruction tools for neutrino-induced shower topologies (like the $\gamma$'s from $\pi^0$ decay). Thus, in studying charged current $\pi^0$ interactions, we are developing tools that can potentially be used to reconstruct an important LEE background, while also studying the physics of neutrino interactions, of which data is sparse for argon. This thesis reports the world's first measurement of the absolute, flux-averaged cross section of $\nu_{\mu}$-charged current single $\pi^0$ production on argon. The analysis chain begins with the selection of inclusive $\nu_\mu$ charged current events, where a candidate $\mu$ and neutrino interaction vertex are identified. These events are t hen passed to a reconstruction framework where electromagnet! ic shower candidates are reconstructed using computer visualization tools. Finally, the cross section is calculated on two reconstructed topologies: those with at least two reconstructed showers and those with at least one. Additionally, this work describes the first fully-automated electromagnetic shower reconstruction process employed by a LArTPC to perform a cross section analysis. We measure the flux averaged cross section on argon at 824 MeV via the two and one shower selections respectively to be \par \noindent $\sigma_{\geq2 Shower}$ = (2.56 $\pm$ $0.50_{stat}$ $\pm$ $0.31_{genie}$ $\pm$ $0.37_{flux}$ $\pm$ $0.31_{det}$) $\times$ $10^{-38}$ $\frac{cm^2}{Ar}$, \par \noindent $\sigma_{\geq 1 Shower}$ = (2.64 $\pm$ $0.33_{stat}$ $\pm$ $0.36_{genie}$ $\pm$ $0.38_{flux}$ $\pm$ $0.35_{det}$) $\times$ $10^{-38}$ $\frac{cm^2}{Ar}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2003

ISS Mini AERCam Radio Frequency (RF) Coverage Analysis Using iCAT Development Tool

The long-term goals of the National Aeronautics and Space Administration's (NASA's) Human Exploration and Development of Space (HEDS) enterprise may require the development of autonomous free-flier (FF) robotic devices to operate within the vicinity of low-Earth orbiting spacecraft to supplement human extravehicular activities (EVAs) in space. Future missions could require external visual inspection of the spacecraft that would be difficult, or dangerous, for humans to perform. Under some circumstance, it may be necessary to employ an un-tethered communications link between the FF and the users. The interactive coverage analysis tool (ICAT) is a software tool that has been developed to perform critical analysis of the communications link performance for a FF operating in the vicinity of the International Space Station (ISS) external environment. The tool allows users to interactively change multiple parameters of the communications link parameters to efficiently perform systems engineering trades on network performance. These trades can be directly translated into design and requirements specifications. This tool significantly reduces the development time in determining a communications network topology by allowing multiple parameters to be changed, and the results of link coverage to be statistically characterized and plotted interactively.

Bolen, Steve↗

DOE OSTI2023

Discovery of multi-functional polyimides through high-throughput screening using explainable machine learning

Polyimides have been widely used in modern industries because of their excellent mechanical and thermal properties, e.g., high-temperature fuel cells, displays, and aerospace composites. However, it usually takes decades of experimental efforts to develop a successful product. Aiming to expedite the discovery of high-performance polyimides, we utilize computational methods of machine learning (ML) and molecular dynamics (MD) simulations. Our study provides compelling evidence for the effectiveness of a data-driven approach in discovering novel polyimides. We first build a comprehensive library of more than 8 million hypothetical polyimides based on the polycondensation of existing dianhydride and diamine/diisocyanate molecules. Then we establish multiple ML models for the thermal and mechanical properties of polyimides based on their experimentally reported values, including glass transition temperature, Young’s modulus, and tensile yield strength. The obtained ML models demonstrate excellent predictive performance in identifying the key chemical substructures influencing the thermal and mechanical properties of polyimides. The use of explainable machine learning describes the effect of chemical substructures on individual properties, from which human experts can understand the cause of the ML model decision. Applying the well-trained ML models, we obtain property predictions of the 8 million hypothetical polyimides. Then, we screen the whole hypothetical dataset and identify three (3) best-performing novel polyimides that have better-combined properties than existing ones through Pareto frontier analysis. For an easy query of the discovered high-performing polyimides, we also create an online platform https://polyimide-explorer.herokuapp.com/ that embeds the developed ML model with interactive visualization. Furthermore, we validate the ML predictions through all-atom MD simulations and examine their synthesizability. The MD simulations are in good agreement with the ML predictions and the three novel polyimides are predicted to be easy to synthesize via Schuffenhauer’s synthetic accessibility score. Following the proposed ML guidance, we successfully synthesized a novel polyimide and the experimentally obtained high glass transition/thermal decomposition temperature demonstrated its excellent thermal stability. Here our study demonstrates an efficient way to expedite the discovery of novel polymers using ML prediction and MD validation. The high-throughput screening of a large computational dataset can serve as a general approach for new material discovery in other polymeric material exploration problems, such as organic photovoltaics, polymer membranes, and dielectrics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Energy Modeling in Urban Districts: Forecast of Multi-Sector Energy Use and GHG Emissions

This document reports the findings of the energy use and greenhouse gases (GHG) emissions model loosely based on three districts in the San Francisco Bay Area, District A, District B, and District C. Modeling platforms exist for city energy benchmarking, inventorying, and GHG emissions forecasting and planning. However, the wide variety and features of today’s tools, their focus on a sub-set or snapshot data from various energy generation and consumption sectors, and the fact that many of them are not open data models, create sub-optimal environments for the energy analysis districts are seeking to conduct. Hence, we have developed a new software tool with customized data and dynamic visualization; DEPICT (Decision-support and Emissions Prediction Interactive Cities Tool) to obtain energy and emissions forecasts at different stages of the districts’ build-out by varying selected design parameters. This report presents the methodology and framework we have developed to estimate whole district emissions and details the results by district, with the objective of finding insights into the main sources of emissions, and the available levers to reduce them efficiently. This document details the impact of each emissions mitigation measure investigated, along with the assumption and models that were used to reach these values

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Remote Instrumentation and Data Acquisition

This poster outlines the development and implementation of a remote data acquisition system for waveform analysis using a Rohde & Schwarz oscilloscope. The project involved capturing waveform data, and transferring it to a local machine for visualization and analysis. The core logic was developed in C++ with a focus on object oriented programming and the use of polymorphism so the main application can interact with any instrument without knowing its exact type, simplifying the overall logic and making it easier to add or swap out components without changing the rest of the codebase.. The system issues Standard Commands for Programmable Instruments (SCPI) via a socket connection and parses the oscilloscope s ASCII waveform data. The C++ application was containerized using Docker for ease of portability, and reproducibility. Emphasis was placed on secure networking practices, error handling, and effective data capture. The report describes the technical steps taken, challenges encountered, and future work, providing insight into the practical integration of hardware interfacing with remote computational environments.

Parikh, Jaymil [Illinois U., Urbana]↗