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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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DOE OSTI2019

State-based network similarity visualization

We introduce an approach for the interactive visual analysis of weighted, dynamic networks. These networks arise in areas such as computational neuroscience, sociology, and biology. Network analysis remains challenging due to complex time-varying network behavior. For example, edges disappear/reappear, communities grow/vanish, or overall network topology changes. Our technique, TimeSum, detects the important topological changes in graph data to abstract the dynamic network and visualize one summary representation for each temporal phase, a state. We define a network state as a graph with similar topology over a specific time interval. To enable a holistic comparison of networks, we use a difference network to depict edge and community changes. Here, we present case studies to demonstrate that our methods are effective and useful for extracting and exploring complex dynamic behavior of networks.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2018

Defect Parameters Contour Mapping: A Powerful Tool for Lifetime Spectroscopy Data Analysis

Temperature‐ and injection‐dependent lifetime spectroscopy (TIDLS) is extensively used for the characterization of defects in silicon material for photovoltaic applications. By coupling TIDLS measurements with Shockley–Read–Hall recombination models, the most important defects’ parameters can be assessed including the defect energy level E t and the capture cross section ratio k . However, while proving extremely helpful in a variety of studies aiming at the characterization of contaminated silicon, a generalized approach for the analysis of industrially‐relevant material has not yet emerged. In this contribution, we examine in detail the recently introduced defect parameters contour mapping (DPCM) methodology for TIDLS data analysis as a tool for direct visualization of possible lifetime limiting defects. Herein, we showcase the DPCM method's potential by applying it to two representative case studies selected from literature and we demonstrate that, even when data are scarce, invaluable information is obtained in an easy and intuitive way without any a priori assumption needed. We then apply the DPCM method to simulated TIDLS data to evaluate the general characteristics of its response and the optimal conditions for its application. This analysis proves that the temperature dependence of lifetime is the most critical information required toward a really univocal identification of metal impurities.

Bernardini, Simone↗

DOE OSTI2025

Performance analysis and data reduction for exascale scientific workflows

Chimbuko is the first in situ, scalable, workflow-level performance analysis tool for trace-level analysis and visualization of application performance. This tool was developed by the Co-design Center for Online Data Analysis and Reduction and funded by the U.S. Department of Energy’s Exascale Computing Project. We provide a detailed description of Chimbuko’s architecture and illustrate our online and offline visualization with multiple use cases. We also present results for the deployment and scalability of the tool as applied to a high-energy physics workflow running at large scale on the Frontier supercomputer.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Decoding the Mechanisms of Phase Transitions from In Situ Microscopy Observations

Abstract Analysis of the temperature‐ and stimulus‐dependent imaging data toward elucidation of the physical transformations is an ubiquitous problem in multiple fields. Here, temperature‐induced phase transition in BaTiO 3 is explored using the machine learning analysis of domain morphologies visualized via variable‐temperature scanning transmission electron microscopy (STEM) imaging data. This approach is based on the multivariate statistical analysis of the time or temperature dependence of the statistical descriptors of the system, derived in turn from the categorical classification of observed domain structures or projection on the continuous parameter space of the feature extraction‐dimensionality reduction transform. The proposed workflow offers a powerful tool for the exploration of the dynamic data based on the statistics of image representation as a function of the external control variable to visualize the transformation pathways during phase transitions and chemical reactions. This can include the mesoscopic STEM data as demonstrated here, but also optical, chemical imaging, etc., data. It can further be extended to the higher dimensional spaces, for example, analysis of the combinatorial libraries of materials compositions.

Valleti, Sai Mani Prudhvi↗

DOE OSTI2022

Traveler: Navigating Task Parallel Traces for Performance Analysis

Understanding the behavior of software in execution is a key step in identifying and fixing performance issues. This is especially important in high performance computing contexts where even minor performance tweaks can translate into large savings in terms of computational resource use. To aid performance analysis, developers may collect an execution trace —a chronological log of program activity during execution. As traces represent the full history, developers can discover a wide array of possibly previously unknown performance issues, making them an important artifact for exploratory performance analysis. However, interactive trace visualization is difficult due to issues of data size and complexity of meaning. Traces represent nanosecond-level events across many parallel processes, meaning the collected data is often large and difficult to explore. The rise of asynchronous task parallel programming paradigms complicates the relation between events and their probable cause. Here, to address these challenges, we conduct a continuing design study in collaboration with high performance computing researchers. We develop diverse and hierarchical ways to navigate and represent execution trace data in support of their trace analysis tasks. Through an iterative design process, we developed Traveler , an integrated visualization platform for task parallel traces. Traveler provides multiple linked interfaces to help navigate trace data from multiple contexts. We evaluate the utility of Traveler through feedback from users and a case study, finding that integrating multiple modes of navigation in our design supported performance analysis tasks and led to the discovery of previously unknown behavior in a distributed array library.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1980

Light curve of the optical counterpart of 2A0311-227

Visual and blue light curves are presented for the optical counterpart of the X-ray source 2A0311-227. This system, which is the newest member of the AM Herculis class of binaries, has an orbital period of 81 minutes which also modulates the visual light curve. A Fourier analysis of the data has revealed the presence of a 6-minute oscillation, at least in the visual light curve. Whether or not it is also present in the blue light curve is unclear.

Williams, G.↗

DOE OSTI2025

LCLS Big Data Handling – How I Learned to Stop Worrying and Love the Data Deluge

Advanced data and computing systems are vital to Linac Coherent Light Source (LCLS) operations, data interpretation and overall scientific productivity. The transition to MHz-era operation marks a fundamental change in scale that requires new infrastructure and architectures to link LCLS to the required scale of computing needed for scientific interpretation. The LCLS-II Data System meets big data challenges by implementing configurable data reduction that can adapt to multiple science areas, real-time analysis frameworks to provide visualization and fast feedback, and the ability to transfer data to local and remote computational facilities for near real time analysis at the appropriate scale. Feature extracted information generated in the data analysis pipeline - at the edge, local compute, or remote High-Performance Computing (HPC) resources - can be used to steer experiments and inform user decisions during beam time. Artificial Intelligence and Machine Learning (AI/ML) techniques present new opportunities to rapidly analyse large datasets and direct experiments, but create new challenges in scaling, adaptability, complexity, and trustworthiness. We describe how the LCLS-II Data System architecture addresses its data-driven challenges in the areas of data acquisition, data processing, data management, and workflow orchestration to decrease the overall time-to-science and provide a vision for future developments.

artificial intelligence↗

NASA NTRS2020

Near 40 Years MERRA-2 Data at NASA GES DISC -Opportunity and Challenge to Support Extremes Study

To the end of 2019, 40 years NASA climate reanalysis data sets from the Modern Era Retrospective-analysis for Research and Applications, Version 2 (MERRA-2) will be available at NASA Goddard Earth Sciences Data and Information Services Center (GES DISC). MERRA-2 consists atmosphere, land, and ocean data, which may be used for the studies ranging from the short scale weather events to the large scale decadal vulnerabilities. The hourly products, such as precipitation, soil moisture, temperature, and aerosols etc., have been used widely to study extreme events.In supporting users from broad communities, GES DISC have developed various data access services, including subsetter for downloading only data of interest with preferred format; OPeNDAP - for machine-to-machine data access; and Giovanni- for online visualization and analysis, etc. A big challenge for extreme study is to downloading and processing long-term hourly or daily data. The data downloading performance is not very satisfied by many users with current services and the native archived data structure. Late June 2019, many people in Europe had experienced extreme heat waves. The temperatures in several countries exceeded 40°C (104°F). For example, MERRA-2 shows that the near surface daily maximum temperature of June 28 2019 over Marseille, a city in southern France, reached 41.1 °C (106°F), which is the record breaking temperature in the last 40 years. GES DISC is working together with domain science experts to improve the performance of long time series access, making analysis ready data sets in supporting application researches, such as extreme study. In this presentation, using Europe heat wave as an example, we will show prototype of the in developing service for finding extremes from near 40 years MERRA-2 data at a given location. MERRA-2 data can be accessed from NASA GES DISC(https://disc.gsfc.nasa.gov/ ) by search keyword "MERRA-2".

Shen, Suhung↗

NASA NTRS2005

Data Format Standardization of Space Weather Model Output at the Community Coordinated Modeling Center

The disparate nature of space weather model output provides many challenges with regards to the portability and reuse of not only the data itself, but also any tools that are developed for analysis and visualization. We are developing and implementing a comprehensive data format standardization methodology that allows heterogeneous model output data to be stored uniformly in any common science data format. We will discuss our approach to identifying core meta-data elements that can be used to supplement raw model output data, thus creating self-descriptive files. The meta-data should also contain information describing the simulation grid. This will ultimately assists in the development of efficient data access tools capable of extracting data at any given point and time. We will also discuss our experiences standardizing the output of two global magnetospheric models, and how we plan to apply similar procedures when standardizing the output of the solar, heliospheric, and ionospheric models that are also currently hosted at the Community Coordinated Modeling Center.

Maddox, M.↗

NASA NTRS2014

NASA Giovanni: A Tool for Visualizing, Analyzing, and Inter-comparing Soil Moisture Data

There are many existing satellite soil moisture algorithms and their derived data products, but there is no simple way for a user to inter-compare the products or analyze them together with other related data. An environment that facilitates such inter-comparison and analysis would be useful for validation of satellite soil moisture retrievals against in situ data and for determining the relationships between different soil moisture products. As part of the NASA Giovanni (Geospatial Interactive Online Visualization ANd aNalysis Infrastructure) family of portals, which has provided users worldwide with a simple but powerful way to explore NASA data, a beta prototype Giovanni Inter-comparison of Soil Moisture Products portal has been developed. A number of soil moisture data products are currently included in the prototype portal. More will be added, based on user requirements and feedback and as resources become available. Two application examples for the portal are provided. The NASA Giovanni Soil Moisture portal is versatile and extensible, with many possible uses, for research and applications, as well as for the education community.

soil moisture data↗

DOE OSTI2022

TXM-Sandbox : an open-source software for transmission X-ray microscopy data analysis

A transmission X-ray microscope (TXM) can investigate morphological and chemical information of a tens to hundred micrometre-thick specimen on a length scale of tens to hundreds of nanometres. It has broad applications in material sciences and battery research. TXM data processing is composed of multiple steps. A workflow software has been developed that integrates all the tools required for general TXM data processing and visualization. The software is written in Python and has a graphic user interface in Jupyter Notebook . Users have access to the intermediate analysis results within Jupyter Notebook and have options to insert extra data processing steps in addition to those that are integrated in the software. The software seamlessly integrates ImageJ as its primary image viewer, providing rich image visualization and processing routines. As a guide for users, several TXM specific data analysis issues and examples are also presented.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Near-Real-Time Statistical Analysis and Visualization of Streamflow from a Deep-Learning Rainfall-Runoff Model

Near-real-time (NRT) streamflow data are critical importance for timely water resources management. Here, we developed an open-source tool, FlowStats, for NRT streamflow analysis and visualization in Germany, based on NRT meteorological data from the German Weather Service and simulated streamflow from a long short-term memory neural network (LSTM). The LSTM model achieved very good overall performance, median NSE of 0.80 for the test period across 1,479 catchments. FlowStats provides options for deriving various streamflow statistics, from normal and abnormal streamflow detection to drought and flood analyses. An example analysis from FlowStats revealed widespread below-normal to extreme low-flow conditions across Germany from March to May 2025, which weakened from June to September 2025. Drought analysis for September 2025 highlighted severe to extreme drought conditions in northwestern Germany, while flood classifications indicated that high-flow events occurred in southwestern Germany. FlowStats can be used for various hydrological assessments to support water resources management.

Hydrological modeling↗

DOE OSTI2021

The Marine and Hydrokinetic ToolKit (MHKiT) for Data Quality Control and Analysis [Slides]

The ability to collect, ingest, condition, reduce, quality control, process, visualize, and store data in a standardized way is critical at all stages of Marine Energy (ME) research and technology/project development. MHKiT is an open-source, standardized suite of ME data processing functions that provides the ability to ingest, condition, reduce, quality control, process, visualize and store ME data. MHKiT is developed in both Python and Matlab.

16 TIDAL AND WAVE POWER↗

DOE OSTI2025

Phosphoproteomics Modifications in Women with Rheumatoid Arthritis─Application of Web-Based Software to Enhance Data Visualization

Individuals with rheumatoid arthritis (RA) are at increased risk of functional disability, cardiovascular disease, and obesity, all of which are influenced by dysregulated skeletal muscle. Here, this pilot study aims to identify phosphoproteomics changes in RA skeletal muscle and visualize modifications through development of a web-based app designed to promote user-friendly data interpretation and visualization. NanoLC–MS/MS analysis was performed on vastus lateralis biopsies from three women with RA and matched healthy controls. Differential analysis was performed using the Limma R package. Kinase substrate enrichment analysis (KSEA) predicted changes in kinase activity. RA muscle displayed 35 upregulated and 60 downregulated phosphosites, including the cytoskeletal proteins TTN (Ser33201, Ser33013, Ser20925), NEB (Ser2219, Thr254, Ser33013, Ser20925), FLNA (Ser1459), and LASP1 (Ser146). Compared to healthy controls, KSEA predicted decreased activity of several kinases in RA muscle, including PRKACA and CDKs. All such changes were visualized by use of our web-based app. Overall, phosphoproteome analysis reveals signaling alterations in RA skeletal muscle linked to cytoskeletal proteins, representing candidate disease biomarkers; these modifications can be explored through use of our web-based software.

phosphoproteomics↗

DOE OSTI2024

Top-down proteomics

Proteoforms arising from posttranslational modifications, genetic polymorphisms, and RNA splice variants, play a pivotal role as the key drivers in biology. Thus, a comprehensive understanding of proteoforms is essential for unraveling the intricacies of biological systems and bridging the gap between genotype and phenotype. By analyzing whole proteins without digestion, top-down proteomics (TDP) provides a holistic view of the proteome and presents a next-generation approach for deciphering protein function, uncovering disease mechanisms, and advancing precision medicine. This Primer embarks on a journey into the world of TDP by encapsulating its historical context, underlying principles, recent advances, and an outlook on the future of TDP. The experimental section navigates instrumentation, sample preparation, intact protein separation, tandem mass spectrometry techniques, and data collection. Results decipher raw data, visualize intact protein spectra, unravel data analysis, and explain proteoform identification, characterization, and quantitation, as well as statistical analysis. Various applications of TDP spanning the human proteoform project, biomedical, biopharmaceutical, and clinical applications are described. These are complemented by discussions on measurement reproducibility, limitations, and a forward-looking perspective outlining uncharted waters where the field can advance, and potential exciting future applications of TDP.

Roberts, David S.↗

DOE OSTI2017

ACME Priority Metrics (A-PRIME)

A-PRIME, is a collection of scripts designed to provide Accelerated Climate Model for Energy (ACME) model developers and analysts with a variety of analysis of the model needed to determine if the model is producing the desired results, depending on the goals of the simulation. The software is csh scripts based at the top level to enable scientist to provide the input parameters. Within the scripts, the csh scripts calls code to perform the postprocessing of the raw data analysis and create plots for visual assessment.

Evans, KatherineJ.↗

DOE OSTI2025

Analyzing Multifaceted Scientific Data with Topological Analytics (Final Technical Report)

This final technical report describes the activities undertaken through Department of Energy, Office of Science, Advanced Scientific Computing Research Early Career award DE-SC-0019039, “Analyzing Multifaceted Scientific Data with Topological Analytics." This report summarizes contributions made toward the research of visualization, machine learning, and topological data analysis of complex simulation data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

CyanoCyc cyanobacterial web portal

CyanoCyc is a web portal that integrates an exceptionally rich database collection of information about cyanobacterial genomes with an extensive suite of bioinformatics tools. It was developed to address the needs of the cyanobacterial research and biotechnology communities. The 277 annotated cyanobacterial genomes currently in CyanoCyc are supplemented with computational inferences including predicted metabolic pathways, operons, protein complexes, and orthologs; and with data imported from external databases, such as protein features and Gene Ontology (GO) terms imported from UniProt. Five of the genome databases have undergone manual curation with input from more than a dozen cyanobacteria experts to correct errors and integrate information from more than 1,765 published articles. CyanoCyc has bioinformatics tools that encompass genome, metabolic pathway and regulatory informatics; omics data analysis; and comparative analyses, including visualizations of multiple genomes aligned at orthologous genes, and comparisons of metabolic networks for multiple organisms. CyanoCyc is a high-quality, reliable knowledgebase that accelerates scientists’ work by enabling users to quickly find accurate information using its powerful set of search tools, to understand gene function through expert mini-reviews with citations, to acquire information quickly using its interactive visualization tools, and to inform better decision-making for fundamental and applied research.

59 BASIC BIOLOGICAL SCIENCES↗