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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

Immersive Visualization for Scientific Data Analysis

We will present the use of immersive visualization at the National Renewable Energy Laboratory (NREL), showcasing how immersive visualization is advancing scientific research and engineering practices and transforming our day-to-day operations. We are leveraging immersive visualization to support scientific discovery and engineering in various domains, including material design, computational fluid dynamics, immersive analytics, grid modernization, digital twins, and situated visualization. We have observed several benefits across four key areas: enhanced spatial judgments, improved understanding through interaction, increased capacity to embed high-dimensional data, and improved collaboration.

immersive analytics↗

Falcon: A Temporal Visual Analysis System

Flexible visible exploration of long, high-resolution time series from multiple sensor streams is a challenge in several domains. Falcon is a visual analytics approach that helps researchers acquire a deep understanding of patterns in log and imagery data. Falcon allows users to interactively explore large, time-oriented data sets from multiple linked perspectives. Falcon provides overviews, detailed views, and unique segmented time series visualizations with multiple levels of detail. These capabilities are applicable to the analysis of any quantitative time series.

Steed, ChadA.↗

Falcon: A Temporal Visual Analysis System

Flexible visible exploration of long, high-resolution time series from multiple sensor streams is a challenge in several domains. Falcon is a visual analytics approach that helps researchers acquire a deep understanding of patterns in log and imagery data. Falcon allows users to interactively explore large, time-oriented data sets from multiple linked perspectives. Falcon provides overviews, detailed views, and unique segmented time series visualizations with multiple levels of detail. These capabilities are applicable to the analysis of any quantitative time series.

Steed, Chad A.↗

Large-Scale Visualization of 3D Unstructured Groundwater Model Using Cave Automated Virtual Environment

The immersive three-dimensional (3D) virtual reality (VR) visualization of groundwater models allows us to deepen our understanding of aquifer systems and provide better solutions to present groundwater-related problems, such as groundwater recharge, water quality, and sustainability. Visualization assists in accurately developing groundwater models and revealing important subsurface features, including faulting, folding, and unconformity. However, assessing model accuracy poses challenges due to the complexity of geology and groundwater systems. This research demonstrates a workflow to visualize and analyze raw 3D unstructured groundwater model data using an immersive Cave Automated Virtual Environment (CAVE). To visualize the unstructured groundwater model data, the raw dataset is converted into interactive CAVE-compatible formats utilizing a set of tools: ParaView, Blender, and Unity. This enables researchers to immerse themselves in the data, identifying influential patterns and relationships. e resulting insights can inform the development of sophisticated machine-learning models for groundwater level prediction. The CAVE’s immersive capabilities allow intuitive exploration from various perspectives, providing a more holistic understanding of the factors affecting groundwater levels. These insights are crucial to improve predictive models. The CAVE results also facilitate collaborative analysis and have potential applications in training and education. is research demonstrates the value of immersive VR tools such as the CAVE for unraveling intricacies within high-dimensional scientific data to drive real-world forecasting and modeling applications.

54 ENVIRONMENTAL SCIENCES↗

Improving Navigation Analysis with OD-D: The Visually Interactive Orbit Determination Dashboard

Orbit determination requires iterative analysis with the goal of converging on as accurate of a solution as possible, a process that can be time and labor intensive. To increase the efficiency of this analysis, we provide a diagnostic tool capable of comprehensively displaying multiple orbit determination solutions by leveraging data visualization techniques. This work details the design and visualization decisions made in the creation of the Orbit Determination Dashboard, a tool aimed at giving users an interactive workspace for understanding how changes to input parameters of orbit determination models affect their solutions.

Jah, Moriba↗

VISAGE - A Visualization and Exploration Framework for Environmental Data

Diverse airborne and ground-based environmental observations are important technologies for disaster assessment and response, as well as for the validation of environmental satellite observations and atmospheric models which can improve forecasts. The VISAGE (Visualization for Integrated Satellite, Airborne and Ground-based data Exploration) project is working to provide three-dimensional visualization and basic analytics capabilities for such datasets in an interactive user interface. The use of cloud-native, server less technologies for analysis optimized data storage will position VISAGE for integration with other technologies into a Data Analytic Center Framework.

Conover, Helen↗

Towards Semantic Search in Building Sensor Data

This paper presents a search engine system for sensor time series data and metadata in the context of building management. It takes natural language queries as input, retrieves sensor time series data, ranks them with respect to their relevance to a given query, and visualizes the time series as search results. In addition, the system allows users to interact with the search results: they can define events of interest in the visualized results and search across sensor data for similar events, i.e., the search by example scheme. Quantitative evaluations and user studies demonstrate the value of this system for managing building sensor data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

ICAT: The Interactive Corpus Analysis Tool

The Interactive Corpus Analysis Tool (ICAT) is a Python library for creating dashboards to explore textual datasets and build simple binary classification models to help filter through them and focus on entries of interest. This tool uses a form of interactive machine learning (IML), a paradigm of “machine teaching” (Simard et al., 2017) that sits at the intersection of the fields of human computer interaction (HCI), visual analytics, and machine learning. The intent of ICAT is to allow subject matter experts (SME) with limited to no experience in machine learning to benefit from an iterative human-in-the-loop (HITL) approach to building their own model without needing to understand the details of the underlying algorithm. This interactivity is achieved by allowing the user to create features, label data points, and visually manipulate a representation of the features to manually cluster and investigate data, while a model is trained on the fly based on these actions. ICAT is built on top of the Panel (Holoviz, 2018) library, using a combination of Vega, a custom IPyWidget using D3, and ipyvuetify, and is intended to be used inside of a Jupyter environment.

Martindale, Nathan [Oak Ridge National Laboratory ↗

How Precisely Can Individual Molecules Be Analyzed? A Case Study on Locally Quantifying Forces and Energies Using Scanning Probe Microscopy

Recent advances in scanning probe microscopy methodology have enabled the measurement of tip-sample interactions with picometer accuracy in all three spatial dimensions, thereby providing a detailed site-specific and distance-dependent picture of the related properties. This paper explores the degree of detail and accuracy that can be achieved in locally quantifying probe-molecule interaction forces and energies for adsorbed molecules. Toward this end, cobalt phthalocyanine (CoPc), a promising CO 2 reduction catalyst, was studied on Ag(111) as a model system using low-temperature, ultrahigh vacuum noncontact atomic force microscopy. Data were recorded as a function of distance from the surface, from which detailed three-dimensional maps of the molecule's interaction with the tip for normal and lateral forces as well as the tip-molecule interaction potential were constructed. The data were collected with a CO molecule at the tip apex, which enabled a detailed visualization of the atomic structure. Determination of the tip-substrate interaction as a function of distance allowed isolation of the molecule-tip interactions; when analyzing these in terms of a Lennard-Jones-type potential, the atomically resolved equilibrium interaction energies between the CO tethered to the tip and the CoPc molecule could be recovered. Interaction energies peaked at less than 160 meV, indicating a physisorption interaction. As expected, the interaction was weakest at the aromatic hydrogens around the periphery of the molecule and strongest surrounding the metal center. In conclusion, the interaction, however, did not peak directly above the Co atom but rather in pockets surrounding it.

36 MATERIALS SCIENCE↗

I ntera C hem : Exploring Excited States in Virtual Reality with Ab Initio Interactive Molecular Dynamics

InteraChem is an ab initio interactive molecular dynamics (AI-IMD) visualizer that leverages recent advances in virtual reality hardware and software, as well as the graphical processing unit (GPU)-accelerated TeraChem electronic structure package, in order to render quantum chemistry in real time. We introduce the exploration of electronically excited states via AI-IMD using the floating occupation molecular orbital-complete active space configuration interaction method. The optimization tools in InteraChem enable identification of excited state minima as well as minimum energy conical intersections for further characterization of excited state chemistry in small- to medium-sized systems. We demonstrate that finite-temperature Hartree–Fock theory is an efficient method to perform ground state AI-IMD. InteraChem allows users to track electronic properties such as molecular orbitals and bond order in real time, resulting in an interactive visualization tool that aids in the interpretation of excited state chemistry data and makes quantum chemistry more accessible for both research and educational purposes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The interactive astronomical data analysis facility - image enhancement techniques to Comet Halley

PDP 11/40 computer is at the heart of a general purpose interactive data analysis facility designed to permit easy access to data in both visual imagery and graphic representations. The major components consist of: the 11/40 CPU and 256 K bytes of 16-bit memory; two TU10 tape drives; 20 million bytes of disk storage; three user terminals; and the COMTAL image processing display system. The application of image enhancement techniques to two sequences of photographs of Comet Halley taken in Egypt in 1910 provides evidence for eruptions from the comet's nucleus.

Kinglesmith, D. A., III↗

Enabling NLDAS-2 Anomaly Analysis Using Giovanni

A newly implemented feature in Giovanni (GES DISC Interactive Online Visualization and Analysis Interface) allows users to explore and visualize anomaly data from the NLDAS-2 Primary Forcing and Noah model data sets. For a given measurement and location, an anomaly describes how conditions for a particular time period compare to normal conditions, based on long-term averages. Analyzing anomalies is important for monitoring droughts, determining weather trends, and studying land surface processes relevant for meteorology, hydrology, and climate. Using Giovanni to analyze anomalies for NLDAS-2 data allows for these studies to be efficiently conducted for the central North American region. Phase 2 of NLDAS (NLDAS-2) currently runs at an 1/8th degree resolution, in near-real time, with data sets extending back to January 1979. NLDAS-2 provides data for soil moisture, precipitation, temperature, and other hydrology measurements. Hourly, monthly, and 30-year (1980-2009) monthly climatology data are available for several land surface models and forcing data sets. The Giovanni anomaly tool calculates monthly anomalies, for a given user-defined variable, as the difference between the NLDAS-2 monthly climatology data and the monthly data. The resulting anomaly describes how a chosen month compares to the 30-year monthly average. The presentation will demonstrate the capabilities and usefulness of Giovanni's anomaly tool, detail the recently added NLDAS-2 variables for which anomalies are available, and show how users can access the data.

drough↗

SIRIUS: Simulation Infrastructure for Research on Interoperating Unmanned Systems

This paper presents the Simulation Infrastructure for Research on Interoperating Unmanned Systems (SIRIUS), a research framework for simulation and analysis of future conceptual Urban Air Mobility (UAM) operations. SIRIUS is being developed under the auspices of the NASA Air Traffic Management eXploration project, UAM subproject (ATM-X UAM). SIRIUS provides an intuitive, highly configurable graphical user interface to design complex traffic scenarios and airspace configurations representative of conceptual UAM operations. Aircraft simulated with SIRIUS can be equipped with flight-tested capabilities for detect and avoid (DAA), geofencing, distributed merging and spacing, path conformance, and path planning while executing time-constrained, 4D trajectories generated by a UAM ground operations system. Central to the design of the SIRIUS simulation framework is the capability to evaluate the integration and interoperability of ground-based separation services (e.g., strategic separation) with extended DAA functionality (e.g., path monitoring, separation provision, merging and spacing, etc.) The simulation environment also supports modelling of wind, navigation, and sensor uncertainties, as well as communication delays. SIRIUS enables distributed simulation of large-scale scenarios. An interactive graphical analysis capability helps isolate, visualize, and compare relevant vehicle state data and widely used measures of performance metrics across multiple scenarios.

Andrew Peters↗

Five key aspects of metaproteomics as a tool to understand functional interactions in host-associated microbiomes

Host-associated microbial communities (microbiomes) play critical roles in human, animal, and plant health and development. However, interactions between the host, members of the microbiome, and invading pathogens are in most cases still poorly understood. Such interactions are multidimensional and can alter the taxonomic composition and/or the functional metabolic activities of the microbiome in response to disease or treatment conditions. For example, after 2 days of antibiotic treatment, the mouse gut microbiome is altered and more susceptible to invasion by the pathogen Clostridioides difficile. Studies of these multidimensional interactions have been fueled by the ability to use high-throughput sequencing of phylogenetic marker genes to profile microbial community composition and shotgun metagenomics to profile functional potential. However, many protein-coding genes predicted from metagenomes are not necessarily expressed under a given condition, and thus, it is difficult to assess the activities and functional interactions in microbial communities based on DNA sequencing data alone. The physiological and pathological processes expressed in these communities under specific conditions are better reflected by the abundances of transcripts or proteins. In this Pearl, we provide a brief introduction to metaproteomics, which is a tool for the large-scale analysis of proteins in microbiomes that allows researchers to address a diversity of questions related to functions and interactions in microbiomes. The term “metaproteomics” was first used in 2004 for “the large-scale characterization of the entire protein complement of environmental microbiota at a given point in time”, and since then, a large array of metaproteomics approaches have been developed. Our objective in this Pearl is to highlight what we feel are 5 essential elements to be considered for a metaproteomics research campaign and to introduce nonexpert readers to the topic without going into too much technical detail.

59 BASIC BIOLOGICAL SCIENCES↗

NASA GIBS and Worldview: Visualizing NASA's Earth Science Data for All to Explore

For more than 20 years, the NASA Earth Observing System (EOS) has operated dozens of remote sensing satellites collecting nearly 15 Petabytes of data that span thousands of science parameters. Within these observations are keys the Earth Scientists have used to unlock many discoveries that we now understand about our planet. Also contained within these observations are a myriad of opportunities for learning and education. The challenge is making them accessible to educators and students in intuitive and simple ways so that effort can be spent on lesson enrichment and not overcoming technical hurdles.The NASA Global Imagery Browse Services (GIBS) system and NASA Worldview interactive mapping site provide a unique view into EOS data through daily full resolution visualizations of hundreds of Earth science parameters. For many of these parameters, visualizations are available within hours of acquisition from the satellite. For others, visualizations are available for the entire mission of the satellite. Accompanying the visualizations are visual aids such as color legends, place names, and orbit tracks. By using these visualizations, educators and students can observe natural phenomena that enrich a scientific education.This presentation will provide an overview of the visualizations available in NASA GIBS and Worldview and how they are accessed. Specific attention will be given to the newer capabilities and accomplishments, including: Support for geostationary sub-daily visualizations, Enhanced support for vector-based visualizations, Improved Worldview tour and snapshot capabilities, New imagery products across a growing set of scientific areas.

Cechini, Matthew↗

RCSB Protein Data Bank: visualizing groups of experimentally determined PDB structures alongside computed structure models of proteins

Recent advances in Artificial Intelligence and Machine Learning (e.g., AlphaFold, RosettaFold, and ESMFold) enable prediction of three-dimensional (3D) protein structures from amino acid sequences alone at accuracies comparable to lower-resolution experimental methods. These tools have been employed to predict structures across entire proteomes and the results of large-scale metagenomic sequence studies, yielding an exponential increase in available biomolecular 3D structural information. Given the enormous volume of this newly computed biostructure data, there is an urgent need for robust tools to manage, search, cluster, and visualize large collections of structures. Equally important is the capability to efficiently summarize and visualize metadata, biological/biochemical annotations, and structural features, particularly when working with vast numbers of protein structures of both experimental origin from the Protein Data Bank (PDB) and computationally-predicted models. Moreover, researchers require advanced visualization techniques that support interactive exploration of multiple sequences and structural alignments. This paper introduces a suite of tools provided on the RCSB PDB research-focused web portal RCSB. org, tailor-made for efficient management, search, organization, and visualization of this burgeoning corpus of 3D macromolecular structure data.

3D visualization↗