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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

hectorui: A web-based interactive scenario builder and visualization application for the Hector climate model

In a world of increasingly online, distributed, and diverse interdisciplinary research, there is a need to provide accessible and user-friendly interactive visualization tools that elucidate complex models and their output products. Hector UI is an R Shiny web interface built to extend the simple global climate model Hector (Hartin et al. 2015), originally designed in C++ with an accompanying R interface. Traditionally, Hector has only had a command line interface available which requires fluency in C++ or R and a full understanding of Hector’s parameter space to run the model and create output. Hector UI provides a fast, efficient solution that makes the model more accessible to a broader user base. This implementation allows users that may not be fluent in R or C++ to interactively explore model scenarios and outputs in an easy to use, guided point and click interface.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

MolViewSpec: a Mol* extension for describing and sharing molecular visualizations

Data visualization is a pivotal component of a structural biologist’s arsenal. The Mol* Viewer makes molecular visualizations available to broader audiences via most web browsers. While Mol* provides a wide range of functionality, it has a steep learning curve and is only available via a JavaScript interface. To enhance the accessibility and usability of web-based molecular visualization, we introduce MolViewSpec (molstar.org/mol-view-spec), a standardized approach for defining molecular visualizations that decouples the definition of complex molecular scenes from their rendering. Scene definition can include references to commonly used structural, volumetric, and annotation data formats together with a description of how the data should be visualized and paired with optional annotations specifying colors, labels, measurements, and custom 3D geometries. Developed as an open standard, this solution paves the way for broader interoperability and support across different programming languages and molecular viewers, enabling more streamlined, standardized, and reproducible visual molecular analyses. MolViewSpec is freely available as a Mol* extension and a standalone Python package.

Midlik, Adam [European Bioinformatics Institute (U↗
DOE OSTI2019

Bringing Molecular Dynamics Simulation Data into View

Molecular Dynamics (MD) simulations monitor time-resolved motions of macromolecules. While visualization of MD trajectories allows an instant and intuitive understanding of dynamics and function, so far mainly static representations are provided in published literature. Recent advances in browser technology may allow for the sharing of trajectories through interactive visualization on the web. We believe that by providing intuitive and interactive visualization along with related protocols and analysis data promotes understanding, reliability, and re-usability of MD simulations. Existing barriers for sharing MD simulations are discussed and emerging solutions are highlighted. We predict that interactive visualization of MD trajectories will quickly be adopted by researchers, research consortiums, journals, and funding agencies to gather and distribute results from MD simulations via the web.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

EPIsembleVis: A geo-visual analysis and comparison of the prediction ensembles of multiple COVID-19 models

In this work, we present EPIsembleVis, a web-based comparative visual analysis tool for evaluating the consistency of multiple COVID-19 prediction models. Our approach analyzes a collection of COVID-19 predictions from different epidemiological models as an ensemble and utilizes two metrics to quantify model performance. These metrics include (a) prediction uncertainty (represented as the dispersion of predictions in each ensemble) and (b) prediction error (calculated by comparing individual model predictions with the recorded data). Through an interactive visual interface, our approach provides a data-driven workflow for (a) selecting and constructing the COVID-19 model prediction ensemble based on the spatiotemporal overlap of available predictions of multiple epidemiological models, (b) quantifying the model performance using both the uncertainty of each model prediction ensemble, and the error of each ensemble member that represents individual model predictions, and (c) visualizing the spatiotemporal variability in the projection performance of individual models using a suite of novel ensemble visualization techniques, such as the data availability map, a spatiotemporal textured-tile calendar, multivariate rose chart, and time-series leaflet glyph. We demonstrate the capability of our ensemble visual interface through a case study that investigates the performance of weekly COVID-19 predictions, which are provided through the COVID-19 Forecast Hub UMass-Amherst Influenza Forecasting Center of Excellence [47] for the United States and United States Territories. The EPIsembleVis tool is implemented using open-source web technologies and adaptive system design, rendering it interoperable with Elasticsearch and Kibana for automatically ingesting COVID-19 predictions from online repositories, and it is generalizable for analyzing worldwide projections from more epidemiological models.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

A Review of Doses for Dental Imaging in 2010–2020 and Development of a Web Dose Calculator

Dental imaging is one of the most common types of diagnostic radiological procedures in modern medicine. We introduce a comprehensive table of organ doses received by patients in dental imaging procedures extracted from literature and a new web application to visualize the summarized dose information. We analyzed articles, published after 2010, from PubMed on organ and effective doses delivered by dental imaging procedures, including intraoral radiography, panoramic radiography, and cone-beam computed tomography (CBCT), and summarized doses by dosimetry method, machine model, patient age, and technical parameters. Mean effective doses delivered by intraoral, 1.32 (0.60–2.56) μSv, and panoramic, 17.93 (3.47–75.00) μSv, procedures were found to be about1% and 15% of that delivered by CBCT, 121.09 (17.10–392.20) μSv, respectively. In CBCT imaging, child phantoms received about 29% more effective dose than the adult phantoms received. The effective dose of a large field of view (FOV) (>150 cm2) was about 1.6 times greater than that of a small FOV (<50 cm2). The maximum CBCT effective dose with a large FOV for children, 392.2 μSv, was about 13% of theeffective dose that a person receives on average every year from natural radiation, 3110 μSv. Monte Carlo simulations of representative cases of the three dental imaging procedures were then conducted to estimate and visualize the dose distribution within the head. The user-friendly interactive web application (available at http://dentaldose.org) receives user input, such as the number of intraoral radiographs taken, and displays total organ and effective doses, dose distribution maps, and a comparison with other medical and natural sources of radiation. The web dose calculator provides a practical resource for patients interested in understanding the radiation doses delivered by dental imaging procedures.

Lee, Hawon↗
DOE OSTI2015

Elviz – exploration of metagenome assemblies with an interactive visualization tool

Metagenomics, the sequencing of DNA collected from an entire microbial community, enables the study of natural microbial consortia in their native habitats. Metagenomics studies produce huge volumes of data, including both the sequences themselves and metadata describing their abundance, assembly, predicted functional characteristics and environmental parameters. The ability to explore these data visually is critically important to meaningful biological interpretation. Current genomics applications cannot effectively integrate sequence data, assembly metadata, and annotation to support both genome and community-level inquiry. Elviz (Environmental Laboratory Visualization) is an interactive web-based tool for the visual exploration of assembled metagenomes and their complex metadata. Elviz allows scientists to navigate metagenome assemblies across multiple dimensions and scales, plotting parameters such as GC content, relative abundance, phylogenetic affiliation and assembled contig length. Furthermore Elviz enables interactive exploration using real-time plot navigation, search, filters, axis selection, and the ability to drill from a whole-community profile down to individual gene annotations. Thus scientists engage in a rapid feedback loop of visual pattern identification, hypothesis generation, and hypothesis testing. Compared to the current alternative of generating a succession of static figures, Elviz can greatly accelerate the speed of metagenome analysis. Elviz can be used to explore both user-submitted datasets and numerous metagenome studies publicly available at the Joint Genome Institute (JGI). Elviz is freely available at http://genome.jgi.doe.gov/viz and runs on most current web-browsers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Slycat v 2.0

Slycat™ is a web-based system for analysis of large, high-dimensional data such as that produced by High Performance Computing (HPC) platforms. The Slycat™ server integrates data ingestion, scalable analysis, data management, and visualization with commodity web clients using a multi-tiered hierarchy of data and model storage. Analysis inputs are pushed or pulled into Slycat™, where models are generated and analysis artifacts are stored in a project database. These artifacts are the basis for visualizations that are delivered to users’ desktops through ordinary web browsers, eliminating the need to build and deploy platform-specific client applications. Slycat™ currently provides four types of analysis: canonical correlation analysis (CCA) to model relationships between inputs and output metrics, time series analysis featuring clustering and comparative visualization of waveforms, parameter space visualization including remote retrieval of images and movies from HPC disks, and VideoSwarm for modeling video similarities over time.

Letter, Matthew↗
DOE OSTI2025

Visualizing and analyzing 3D biomolecular structures using Mol* at RCSB.org: Influenza A H5N1 virus proteome case study

The easiest and often most useful way to work with experimentally determined or computationally predicted structures of biomolecules is by viewing their three-dimensional (3D) shapes using a molecular visualization tool. Mol* was collaboratively developed by RCSB Protein Data Bank (RCSB PDB, RCSB.org) and Protein Data Bank in Europe (PDBe, PDBe.org) as an open-source, web-based, 3D visualization software suite for examination and analyses of biostructures. It is capable of displaying atomic coordinates and related experimental data of biomolecular structures together with a variety of annotations, facilitating basic and applied research, training, education, and information dissemination. Across RCSB.org, the RCSB PDB research-focused web portal, Mol* has been implemented to support single-mouse-click atomic-level visualization of biomolecules (e.g., proteins, nucleic acids, carbohydrates) with bound cofactors, small-molecule ligands, ions, water molecules, or other macromolecules. RCSB.org Mol* can seamlessly display 3D structures from various sources, allowing structure interrogation, superimposition, and comparison. Using influenza A H5N1 virus as a topical case study of an important pathogen, we exemplify how Mol* has been embedded within various RCSB.org tools—allowing users to view polymer sequence and structure-based annotations integrated from trusted bioinformatics data resources, assess patterns and trends in groups of structures, and view structures of any size and compositional complexity. In addition to being linked to every experimentally determined biostructure and Computed Structure Model made available at RCSB.org, Standalone Mol* is freely available for visualizing any atomic-level or multi-scale biostructure at rcsb.org/3d-view.

3D biostructure↗
DOE OSTI2018

Geocube

NOTICE: Geocube has been replaced by EDX Spatial, a modern geospatial platform to map, visualize, query and explore spatial data. Online web mapping tool for visualization and simple analysis of Earth-energy data files from public and DOE related sources. Geocube allows users to upload and visualize their own datasets but also comes preloaded with individual spatial datasets as well as spatial data collections that align to topical themes.

carbon storage↗
DOE OSTI2017

An optimization-based web application for synthesis and analysis of biomass-to-fuel strategies: An optimization-based web application for synthesis and analysis of biomass-to-fuel strategies

We develop an optimization-based web application for assessing biomass-to-fuels strategies based on the Biomass Utilization Superstructure (BUS) framework. This web application allows researchers with limited knowledge of optimization to assess different technologies employed at different strategies and identify the major cost drivers. The user must only provide the necessary parameters and create an optimization run after identifying the question to be addressed and the assessment metric. The web application generates visual representations of the results once the optimal solution is obtained. Finally, we demonstrate the applicability of the web application through an example.

09 BIOMASS FUELS↗
DOE OSTI2020

CatCost™ Data Tools [SWR-20-59]

CatCost™ enables catalyst researchers to develop comprehensive estimates of the cost to produce pre-commercial catalysts early in the catalyst development process. It includes both web browser and Excel-based tools, each with distinct strengths. The web tool includes powerful visualization capabilities, while the Excel tool allows for high degrees of control and customization by power users. The CatCost™ Python Data Tools are designed to facilitate the transfer of data from the Excel tool to the web tool, so that users can take advantage of both the powerful visualization in the web tool and the higher degree of customization available in the excel tool. Rather than painstakingly copying entries from estimates, the materials, equipment, and spent catalyst libraries from Excel to a JSON format for the web tool, the CatCost™ Data Tools provide an intuitive applet which allows them to simply choose which library or estimate they wish to transfer, and then returns files that integrate smoothly with the web version of the tool.

Baddour, Frederick↗
DOE OSTI2024

FREDA: A Web Application for the Processing, Analysis, and Visualization of Fourier‐Transform Mass Spectrometry Data

The high-resolution measurement capability of Fourier-transform mass spectrometry (FT-MS) has made it a necessity for exploring the molecular composition of complex organic mixtures, like soil, plant, aquatic, and petroleum samples. This demand has driven a need for informatics tools to explore and analyze FT-MS data in a robust and reproducible manner. FREDA is an interactive web application developed to enable spectrometrists to format, process, and explore their FT-MS data without the need for statistical programming expertise. FREDA was built to explore outputs from a molecular identification tool, like CoreMS, and provide a suite of methods to filter data, compute chemical properties of peaks, statistically compare samples and groups of samples, conduct exploratory data analysis, and download the results with a report detailing all steps conducted. To demonstrate the utility of FREDA, an example analysis was conducted using FT-MS data from a soil microbiology study of samples collected in two different soil depths at the Sphagnum bog forest north of Grand Rapids, Minnesota. Differences between the two depths are observed using Kendrick, Gibbs free energy, and van Krevelen plots. G-tests are used to quantify a significant difference between the groups. All analyses and plotting are conducted using only the FREDA application. FREDA is an open-source and readily available web application that allows users to explore and make statistically valid conclusions about their FT-MS data. The application is available online (https://map.emsl.pnnl.gov/app/freda) with a tutorial web series (https://youtu.be/k5HLE2kNSBY?si=yB6sGoyvzxrFf5MP) and freely accessible code on Github (https://github.com/EMSL-Computing/FREDA).

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Pulse: An Outlier Sensitive Downsampling Algorithm For Timeseries Data

Pulse is a downsampling algorithm for timeseries data. Frequently datasets become so large that visualization tools and web browsers cannot effectively render graphics due to memory constraints. Downsampling algorithms are commonly applied to minimize the quantity of data required to visualize important features or trends in the data, but some datasets are composed by distinct enough features and trends that most existing downsampling algorithms fail to preserve them. Pule was developed to downsample timeseries data for galvanostatic stack test data at the Idaho National Laboratory. These datasets were composed by approximately 4 million records, most of them being extremely uniform. However, during relatively brief time periods when the stack test changes state, for example when the test article is powered on, or a load is added, the data produce sparse asymptotes. No existing downsampling algorithm was capable of preserving the sparse asymptotes in electrolysis stack test data. Instead, we develop a downsampling algorithm that preserves important outliers in data, and otherwise aggressively downsamples uniform data. The algorithm has applications in other domains like seismology, in the measurement of earthquakes, or astronomy, in the measurement of quasars or transit photometry.

Woodruff, Nathan [Idaho National Laboratory (INL),↗
DOE OSTI2022

The maximum extent of the filaments and sheets in the cosmic web: an analysis of the SDSS DR17

Filaments and sheets are striking visual patterns in cosmic web. The maximum extent of these large-scale structures are difficult to determine due to their structural variety and complexity. We construct a volume-limited sample of galaxies in a cubic region from the SDSS, divide it into smaller subcubes and shuffle them around. We quantify the average filamentarity and planarity in the 3D galaxy distribution as a function of the density threshold and compare them with those from the shuffled realizations of the original data. The analysis is repeated for different shuffling lengths by varying the size of the subcubes. The average filamentarity and planarity in the shuffled data show a significant reduction when the shuffling scales are smaller than the maximum size of the genuine filaments and sheets. We observe a statistically significant reduction in these statistical measures even at a shuffling scale of $\sim 130 \, {{\, \rm Mpc}}$, indicating that the filaments and sheets in three dimensions can extend up to this length scale. They may extend to somewhat larger length scales that are missed by our analysis due to the limited size of the SDSS data cube. We expect to determine these length scales by applying this method to deeper and larger surveys in future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

MacroSheds: A synthesis of long-term biogeochemical, hydroclimatic, and geospatial data from small watershed ecosystem studies

The US Federal Government supports hundreds of watershed monitoring efforts from which solute fluxes can be calculated. Although instrumentation and methods vary between studies, the data collected and their motivating questions are remarkably similar. Nevertheless, little effort toward their compilation has previously been made. The MacroSheds project has developed a future-friendly system for harmonizing daily time series of streamflow, precipitation, and solute chemistry from 169+ watersheds, and supplementing each with watershed attributes. Here, we describe the breadth of MacroSheds data, and detail the steps involved in rendering each data product. We provide recommendations for usage and discuss when other datasets might be more suitable. The MacroSheds dataset is an unprecedented resource for watershed science, and for hydrology, as a small-watershed supplement to existing collections of streamflow predictors, like CAMELS and GAGES-II. The MacroSheds platform includes a web dashboard for visualization and an R package for data access and analysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Spatial-Temporal PV Hosting Capacity Estimation and Evaluation

Evaluating Photovoltaic Hosting Capacity (PVHC) is an essential step in the process of integrating solar energy into power grids, particularly when focusing on the distribution network (DN) as the primary integration target. PVHC needs to be investigated, especially in cases where the grids are unbalanced, and their operational conditions vary spatially and temporally. This motivation prompted us to propose a scalable model tailored to this application. In this paper, we applied linearization to the alternating current optimal power flow (AC-OPF) and solar inverters, transforming the original problem into a mixed-integer linear programming (MILP) problem. Additionally, we accounted for the battery energy storage system (BESS) as a time-coupling factor for calculating PVHC. We then compared the PVHC results between the IEEE-13 bus and SMART-DS San Francisco (SFO) cases and discussed the extent to which BESS can enhance the PVHC of a DN. Furthermore, we designed a web-based graphical visualization for the SFO case, enabling user interaction with raw data and simulation results on a map through a graphical user interface (GUI). In summary, our results and findings provide valuable insights for future three-phase unbalanced AC-OPF PVHC practices and their visualization.

AC-optimal power flow↗