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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 289 records · Page 16

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DOE OSTI2019

Simulations of coherent electron cooling with two types of amplifiers

The SPACE code is a parallel, relativistic, three-dimensional, electromagnetic, particle-in-cell code developed for the simulations of beam dynamics and interactions. The SPACE code can perform simulations with various beam distributions, different types of boundary conditions, and flexible beam line, as well as provide sufficient processing routines for data analyses and visualization. Finally, self-consistent, highly resolved and realistic simulations were performed using the SPACE code to study the coherent electron cooling (CeC) experiment with two types of amplifiers, the free electron laser (FEL) and plasma-cascade micro-bunching amplifiers.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Foundation Models for Zero-Shot Segmentation of Scientific Images without AI-Ready Data

Zero-shot and prompt-based models have excelled at visual reasoning tasks by leveraging large-scale natural image corpora, but they often fail on sparse and domain-specific scientific image data. We introduce Zenesis, a no-code interactive computer vision platform designed to reduce data readiness bottlenecks in scientific imaging workflows. Zenesis integrates lightweight multimodal adaptation for zero-shot inference on raw scientific data, human-in-the-loop refinement, and heuristic-based temporal enhancement. We validate our approach on Focused Ion Beam Scanning Electron Microscopy (FIB-SEM) datasets of catalyst-loaded membranes. Zenesis outperforms baselines, achieving an average accuracy of 0.947, Intersection over Union (IoU) of 0.858, and Dice score of 0.923 on amorphous catalyst samples; and 0.987 accuracy, 0.857 IoU, and 0.923 Dice on crystalline samples. These results represent a significant performance gain over conventional methods such as Otsu thresholding and standalone models like the Segment Anything Model (SAM). Zenesis enables effective image segmentation in domains where annotated datasets are limited, offering a scalable solution for scientific discovery.

Mukherjee, Shubhabrata↗

DOE OSTI2018

GPGPU Enabled Adaptive Volume Visualization Using Commodity Game Engines

The amount of data produced by researchers in fields like nuclear engineering, materials science, and medicine has dramatically increased in recent years. There is a growing need to analyze and visualize this data in order to derive new insights. However, creating a visualization of data that is many gigabytes in size in real time is a difficult task since most graphics processing units (GPUs) are unable to hold this much data at one time. In order to alleviate this issue, an adaptive volume visualizer has been developed that is capable of rendering large scale datasets with high levels of detail at interactive framerates.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

The U.S. Agrivoltaic Shading Tool: A National-Scale Interface for Modeling Light and Shade Patterns in Ten Common Agrivoltaic Configurations

Agrivoltaic systems are dual-use configurations that co-locate agriculture and photovoltaic (PV) infrastructure and require careful design to balance crop performance and energy generation. A critical element of agrivoltaic design is the spatial and temporal distribution of irradiance and shade within and around PV arrays. To support research, planning, and stakeholder decision-making, we introduce the U.S. Agrivoltaic Shading Tool, a novel web-based application that delivers high-resolution irradiance and photosynthetically active radiation (PAR) modeling for ten standardized PV configurations across the conterminous United States. The tool leverages the National Laboratory of the Rockies (NLR) System Advisor Model (SAM) to perform detailed irradiance simulations, using meteorological data from the National Solar Radiation Database (NSRDB). Outputs include seasonal, monthly, weekly, and diurnal patterns of available sunlight, amount of shade, irradiance, and PAR at ground level within agrivoltaic system footprints. For a user's selected location, these results are visualized through interactive visualizations, heatmaps, and time-series plots, designed to be accessible to both technical and non-technical users. In addition to facilitating rapid spatial exploration of agrivoltaic light environments, the tool will offer seamless integration with the InSPIRE Agrivoltaics Design and Analysis Model (ADAM). This optional workflow will allow users to port selected site and configuration parameters into a more advanced modeling environment for further customization of structural layouts, crop-system compatibility, power generation, and technoeconomic performance. Finally, to promote open science, the entire dataset will be hosted and available for open access through the OpenEI platform. By standardizing and disseminating high-quality irradiance data and design tools, the U.S. Agrivoltaic Shading Tool supports a wide range of users, including researchers, landowners, energy developers, and policymakers, in evaluating the agronomic and energetic feasibility of agrivoltaic systems across the United States.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2018

A visual analytics system for optimizing the performance of large-scale networks in supercomputing systems

Not Available

Fujiwara, Takanori↗

DOE OSTI2017

Simulation Exploration through Immersive Parallel Planes

We present a visualization-driven simulation system that tightly couples systems dynamics simulations with an immersive virtual environment to allow analysts to rapidly develop and test hypotheses in a high-dimensional parameter space. To accomplish this, we generalize the two-dimensional parallel-coordinates statistical graphic as an immersive 'parallel-planes' visualization for multivariate time series emitted by simulations running in parallel with the visualization. In contrast to traditional parallel coordinate's mapping the multivariate dimensions onto coordinate axes represented by a series of parallel lines, we map pairs of the multivariate dimensions onto a series of parallel rectangles. As in the case of parallel coordinates, each individual observation in the dataset is mapped to a polyline whose vertices coincide with its coordinate values. Regions of the rectangles can be 'brushed' to highlight and select observations of interest: a 'slider' control allows the user to filter the observations by their time coordinate. In an immersive virtual environment, users interact with the parallel planes using a joystick that can select regions on the planes, manipulate selection, and filter time. The brushing and selection actions are used to both explore existing data as well as to launch additional simulations corresponding to the visually selected portions of the input parameter space. As soon as the new simulations complete, their resulting observations are displayed in the virtual environment. This tight feedback loop between simulation and immersive analytics accelerates users' realization of insights about the simulation and its output.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Merger identification through photometric bands, colours, and their errors

Aims. We present the application of a fully connected neural network (NN) for galaxy merger identification using exclusively photometric information. Our purpose is not only to test the method’s efficiency, but also to understand what merger properties the NN can learn and what their physical interpretation is. Methods. We created a class-balanced training dataset of 5860 galaxies split into mergers and non-mergers. The galaxy observations came from SDSS DR6 and were visually identified in Galaxy Zoo. The 2930 mergers were selected from known SDSS mergers and the respective non-mergers were the closest match in both redshift and r magnitude. The NN architecture was built by testing a different number of layers with different sizes and variations of the dropout rate. We compared input spaces constructed using: the five SDSS filters: u, g, r, i, and z; combinations of bands, colours, and their errors; six magnitude types; and variations of input normalization. Results. We find that the fibre magnitude errors contribute the most to the training accuracy. Studying the parameters from which they are calculated, we show that the input space built from the sky error background in the five SDSS bands alone leads to 92.64 ± 0.15% training accuracy. We also find that the input normalization, that is to say, how the data are presented to the NN, has a significant effect on the training performance. Conclusions. We conclude that, from all the SDSS photometric information, the sky error background is the most sensitive to merging processes. This finding is supported by an analysis of its five-band feature space by means of data visualization. Moreover, studying the plane of the g and r sky error bands shows that a decision boundary line is enough to achieve an accuracy of 91.59%.

79 ASTRONOMY AND ASTROPHYSICS↗

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 OSTI2019

SoyCSN: Soybean context-specific network analysis and prediction based on tissue-specific transcriptome data

The Soybean Gene Atlas project provides a comprehensive map for understanding gene expression patterns in major soybean tissues from flower, root, leaf, nodule, seed, and shoot and stem. The RNA-Seq data generated in the project serve as a valuable resource for discovering tissue-specific transcriptome behavior of soybean genes in different tissues. We developed a computational pipeline for Soybean context-specific network (SoyCSN) inference with a suite of prediction tools to analyze, annotate, retrieve, and visualize soybean context-specific networks at both transcriptome and interactome levels. BicMix and Cross-Conditions Cluster Detection algorithms were applied to detect modules based on co-expression relationships across all the tissues. Soybean context-specific interactomes were predicted by combining soybean tissue gene expression and protein–protein interaction data. Functional analyses of these predicted networks provide insights into soybean tissue specificities. For example, under symbiotic, nitrogen-fixing conditions, the constructed soybean leaf network highlights the connection between the photosynthesis function and rhizobium–legume symbiosis. SoyCSN data and all its results are publicly available via an interactive web service within the Soybean Knowledge Base (SoyKB) at http://soykb.org/SoyCSN. SoyCSN provides a useful web-based access for exploring context specificities systematically in gene regulatory mechanisms and gene relationships for soybean researchers and molecular breeders.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

pyXPCSviewer : an open-source interactive tool for X-ray photon correlation spectroscopy visualization and analysis

pyXPCSviewer , a Python-based graphical user interface that is deployed at beamline 8-ID-I of the Advanced Photon Source for interactive visualization of XPCS results, is introduced. pyXPCSviewer parses rich X-ray photon correlation spectroscopy (XPCS) results into independent PyQt widgets that are both interactive and easy to maintain. pyXPCSviewer is open-source and is open to customization by the XPCS community for ingestion of diversified data structures and inclusion of novel XPCS techniques, both of which are growing demands particularly with the dawn of near-diffraction-limited synchrotron sources and their dedicated XPCS beamlines.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

EGS Collab Experiment 1: 3D Seismic Velocity Model and Updated Microseismic Catalog from Double-Difference Seismic Tomography

This package contains a 3D Seismic velocity model and an updated microseismic catalog obtained for a double-difference seismic tomography study. The 3D_seismic_velocity_model text file contains x (m), y(m), z(m), P-wave velocity (km/s), P-wave velocity quality indicator (1 for well-constrained; 0 for poorly constrained), S-wave velocity (km/s), and S-wave velocity quality indicator (1 for well-constrained; 0 for poorly constrained). The Updated_MEQ_catalog text file contains event origin time, x(m), y(m), z(m), error in x (m), error in y (m), error in z (m), and RMS misfit (millisecond). The 3D_seismic_P-wave_velocity_model animation file shows slices of the 3D P-wave velocity model. The 3D_seismic_S-wave_velocity_model animation file shows slices of the 3D S-wave velocity model. The Interactive_MEQ_location_comparison API file is an interactive visualization of the updated microseismic event locations and the original seismic catalog. The visualization allows users to view and compare the event locations by dragging, rotating, and zooming in. An updated version of 3D_seismic_velocity_model and associated animations were included, which were calculated with a more strict assumption for quality indicators.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

Supporting Greater Interactivity in the IPython Visualization Ecosystem

Interactive visualizations are invaluable tools for building intuition and supporting rapid exploration of datasets and models. Numerous libraries in Python support interactivity, and workflows that combine Jupyter and IPyWidgets in particular make it straightforward to build data analysis tools on the fly. However, the field is missing the ability to arbitrarily overlay widgets and plots on top of others to support more flexible details-on-demand techniques. This work discusses some limitations of the base IPyWidgets library, explains the benefits of IPyVuetify and how it addresses these limitations, and finally presents a new open-source solution that builds on IPyVuetify to provide easily integrated widget overlays in Jupyter.

Martindale, Nathan↗

DOE OSTI2024

Estimation and Visualization of Isosurface Uncertainty from Linear and High-Order Interpolation Methods

Isosurface visualization is fundamental for exploring and analyzing 3D volumetric data. Marching cubes (MC) algorithms with linear interpolation are commonly used for isosurface extraction and visualization. Although linear interpolation is easy to implement, it has limitations when the underlying data is complex and high-order, which is the case for most real-world data. Linear interpolation can output vertices at the wrong location. Its inability to deal with sharp features and features smaller than grid cells can lead to an incorrect isosurface with holes and broken pieces. Despite these limitations, isosurface visualizations typically do not include insight into the spatial location and the magnitude of these errors. We utilize high-order interpolation methods with MC algorithms and interactive visualization to highlight these uncertainties. Our visualization tool helps identify the regions of high interpolation errors. It also allows users to query local areas for details and compare the differences between isosurfaces from different interpolation methods. In addition, we employ high-order methods to identify and reconstruct possible features that linear methods cannot detect. We showcase how our visualization tool helps explore and understand the extracted isosurface errors through synthetic and real-world data.

Ouermi, Timbwaoga↗

DOE OSTI2018

pnnl/sven

This is a JavaScript library for a storyline layout algorithm. Storylines are adept at communicating complex change by encoding time on the x-axis and using the proximity of lines in the y direction to represent interaction between entities. The library in this disclosure takes as input a list of objects containing an id, time, and state. The output is a data structure that can be used to conveniently render a storyline visualization. Most importantly, the library computes the y-coordinate of the entities over time that decreases layout artifacts including crossings, wiggles, and whitespace. This is accomplished through multi-objective, multi-stage optimization problem, where the output of one stage produces input and constraints for the next stage.

Arendt, Dustin↗

DOE OSTI2026

Iterative ML and Experiments for Emerging VOCs

SAND2026-17074O Iterative ML and Experiments for Emerging VOCs is a tool that analyzes and predicts the behaviors of SARS-CoV-2 variants. It processes experimental data on ACE2 (the receptor for the SARS-CoV-2 virus that allows it to infect the cell) and antibody binding using machine learning models, including neural networks, to forecast ACE2 interactions and variant expression. The tool employs transfer learning and global epistasis modeling, integrating public datasets with proprietary data to enhance prediction accuracy. Additionally, it fits concentration-response curves to determine dissociation constants and generates visualizations to support research findings, thereby aiding in the identification of new antibodies for emerging variants of concern. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Sheffield, Thomas [Sandia National Lab. (SNL-NM), ↗

DOE OSTI2026

datasight [SWR-26-045]

This software is an AI-powered data exploration with natural language. datasight connects an AI agent to your database and provides a web UI where you can ask questions in natural language. The agent writes SQL, runs queries, and generates interactive Plotly visualizations. Supports DuckDB, PostgreSQL, SQLite, and Flight SQL databases. Also queries local CSV and Parquet files directly — no database setup required. Supports Anthropic Claude (default), GitHub Models (open source), and Ollama (local) as LLM backends.

Thom, Daniel [National Laboratory of the Rockies (↗

DOE OSTI2017

Pure JavaScript Storyline Layout Algorithm

Source record↗

DOE OSTI2025

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗