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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Radiological Recovery Logistics Tool - 20161

Argonne is building and testing a tool, the Radiological Recovery Logistics Tool (RRLT), that can be used during the response and recovery from a radiological or nuclear incident to effectively allocate appropriate commercial and public works equipment to mitigate, remove, and contain radiological contamination. The requirements for this tool - as well as development of the resulting software - is overseen by a steering committee of stakeholders from DHS's National Urban Security Technology Laboratory (NUSTL), the Federal Emergency Management Agency (FEMA), and the Environmental Protection Agency (EPA). One essential requirement is for RRLT to support the efficient and appropriate allocation of resources for a radiological response. Subsequent discussions between ANL and stakeholders have solidified the nature of this support to include identification of the types of resources to be allocated. The study reported in this paper has both factored fundamental concepts and connections out of this identification process and created a Knowledge Base detailing support goals, response scenarios, and efficacy information on dozens of equipment types. In short, RRLT will dynamically apply these findings to situational conditions surrounding contamination incidents. RRLT's Domain, the model of elements, ideas and relationships with which the tool will work, draws concepts from technical reports and stakeholder vocabularies to connect response goals and scenarios to types of equipment that offer utility towards those goals in those scenarios. RRLT's Knowledge Base will contain details on dozens of equipment types and facilitate the operator's discovery and consumption of these details most pertinent to a dynamically selected subset of goals. The core of its Domain Model is based on a report authored by this team. This report [1] contains a comprehensive list of proposed equipment to accomplish various missions or scenarios that might arise after a large-scale radiological contamination incident in an urban environment or critical infrastructure. The report divides potential response and recovery efforts into five support goals: Survey and monitoring of the contaminated area; Mitigation of received dose to first responders: Decontamination (gross and final) of buildings, vehicles, roadways, parks, and other surfaces: Waste management of solid waste generated during recovery operations: and Containment of wastewater and other waste generated during the response and recovery phases. RRLT's development is driven by use cases. A use case is an intention with which a user approaches the software. Use cases are grouped into delivery increments to schedule development, testing, and presentation to stakeholders. This model partitions the system into seven increments: User Arrival and Authentication, Search and Navigation, Equipment Recommendation, Plan Management, Content Management, and Expanded Access. Once a user 15 authenticated, RRLT will present the user with a dashboard that allows them to explore or search RRLT's content. The dashboard will also include a 'Plan' panel for collecting decisions and relevant observations about an incident at hand to facilitate development of an equipment list. RRLT will offer three general modes of access to items in the knowledge base: - Keyword search for direct discovery of items, - Navigation along predetermined paths from recovery goal towards equipment types, and - Interactive guidance towards equipment types by an autonomous software agent: the Equipment Recommendation Wizard. This presentation will detail progress in the development of the RRLT and also discuss opportunities for those interested in providing feedback on its content and functionality. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Database Performance Monitoring for DUNE

This report presents the research, design, and implementation of improved PostgreSQL monitoring for DUNE Rucio database services using Checkmk. The project began with a request to improve dashboard visibility for database performance metrics, including connection usage, configured connection limits, lock activity, wait behavior, storage trends, query performance, and saturation alerts. The initial implementation focused on the dune_rucio_prod database on the rucio_prod PostgreSQL instance because connection saturation and lock contention are direct reliability risks for database-backed services. Existing Checkmk PostgreSQL monitoring was investigated, and several gaps were identified. Built-in connection monitoring did not clearly separate active, idle, idle-in-transaction, total, and usage-percent metrics, while the built-in lock monitoring simplified PostgreSQL lock modes into shared and exclusive categories. To address these gaps, two DSG-specific Checkmk local checks were created: one for connection-state monitoring and one for lock-state monitoring. These checks supplement the built-in PostgreSQL checks and provide additional performance data for dashboard graphs, service states, and alerts.

Bowers, Elliot [Cabrillo Coll.]↗
DOE OSTI2025

Developing Digital Twin Visualizations: A Methodology and Case Study on Chemical Separation Processing

As advances in digital engineering continue to push the technological boundaries, digital twin (DT) visualizations for diagnostics and safeguards advancement become much more feasible and practical. DTs generate large and complex data streams that require effective user interfaces to provide monitoring and diagnostic capabilities. Unfortunately, while these frameworks exist, there is not much research on the systematic documentation of human–computer interaction (HCI) for DT visualization. This work presents a dual-mode visualization methodology (two dimensional [2D] graphical user interface dashboard and 3D mixed reality) designed to support diagnostic tasks in DT systems and building on a validated framework and applying established HCI principles. The methodology is demonstrated through a case study of aqueous processing at Idaho National Laboratory, using experimental data from the chemical solvent extraction runs. Our interfaces display real-time alerts and monitoring to inform users of safeguards anomalies. The interfaces use immersive 3D mixed-reality visualization for further system and experiment investigation. This work demonstrates how the systematic application of HCI principles can inform DT visualization design for diagnostic and safeguards applications. While formal user evaluation studies remain as future work, this paper documents the systematic design methodology and demonstrates a proof-of-concept implementation.

3D visualization↗
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 OSTI2022

First Plant Cell Atlas symposium report

The Plant Cell Atlas (PCA) community hosted a virtual symposium on December 9 and 10, 2021 on single cell and spatial omics technologies. The conference gathered almost 500 academic, industry, and government leaders to identify the needs and directions of the PCA community and to explore how establishing a data synthesis center would address these needs and accelerate progress. This report details the presentations and discussions focused on the possibility of a data synthesis center for a PCA and the expected impacts of such a center on advancing science and technology globally. Community discussions focused on topics such as data analysis tools and annotation standards; computational expertise and cyber-infrastructure; modes of community organization and engagement; methods for ensuring a broad reach in the PCA community; recruitment, training, and nurturing of new talent; and the overall impact of the PCA initiative. These targeted discussions facilitated dialogue among the participants to gauge whether PCA might be a vehicle for formulating a data synthesis center. The conversations also explored how online tools can be leveraged to help broaden the reach of the PCA (i.e., online contests, virtual networking, and social media stakeholder engagement) and decrease costs of conducting research (e.g., virtual REU opportunities). Major recommendations for the future of the PCA included establishing standards, creating dashboards for easy and intuitive access to data, and engaging with a broad community of stakeholders. The discussions also identified the following as being essential to the PCA's success: identifying homologous cell-type markers and their biocuration, publishing datasets and computational pipelines, utilizing online tools for communication (such as Slack), and user-friendly data visualization and data sharing. In conclusion, the development of a data synthesis center will help the PCA community achieve these goals by providing a centralized repository for existing and new data, a platform for sharing tools, and new analytical approaches through collaborative, multidisciplinary efforts. A data synthesis center will help the PCA reach milestones, such as community-supported data evaluation metrics, accelerating plant research necessary for human and environmental health.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

SynopFrame: Multiscale time-dependent visual abstraction framework for analyzing DNA nanotechnology simulations

We present an open-source framework, SynopFrame, that allows DNA nanotechnology (DNA-nano) experts to analyze and understand molecular dynamics simulation trajectories of their designs. We use a multiscale multi-dimensional abstraction space, connect the representations to a projected conformational space plot of the structure’s temporal sequence, and thus enable experts to analyze the dynamics of their structural designs and, specifically, failure cases of the assembly. In addition, our time-dependent abstraction representation allows the biologists, for the first time in a smooth and structurally clear way, to identify and observe temporal transitions of a DNA-nano design from one configuration to another, and to highlight important periods of the simulation for further analysis. We realize SynopFrame as a dashboard of the different synchronized 3D spatial and 2D schematic visual representations, with a color overlay to show essential properties such as the status of hydrogen bonds. The linking of the spatial, schematic, and abstract views ensures that users can effectively analyze the high-frequency motion. We also categorize the status of the hydrogen bonds into a new format to allow us to color-encode it and overlay it on the representations. To demonstrate the utility of SynopFrame, we describe example usage scenarios and report user feedback.

Abstraction space↗
DOE OSTI2023

Field surveying data of low-cost networked flood sensors in southeast Texas

Floods are common natural disasters worldwide and pose substantial risks to life, property, food production, and natural resources. Effective measures for flood mitigation and warning are essential. Southeast Texas is still at significant risk of flooding, and Lamar University is assisting the region with asset management of a flood sensor network for flooding events. This network provides real-time water stage information. Lamar University developed a survey program to measure elevation and coordinates at each sensor site location to make this data more useful for flood monitoring and mapping. This paper overviews the measurement of the elevation and coordinates of 74 networked flood sensors and various flood stage thresholds at critical points that flood decision-makers can use for reference at each site. In the first phase of this program, these sensors were deployed throughout a 7-county region spanning nearly 6,000 square miles in Southeast Texas. The latitude and longitude of the sensors and their elevations were determined using survey-grade Global Navigation Satellite System (GNSS) technology. Various Continually Operating Reference Stations (CORS) were utilized for post-processing to achieve sub-inch resolution. The flood stage thresholds, water level sensors elevation, and the elevations and positions of other critical surrounding points are viewable to the public through two online repositories and a web-based sensor management dashboard. The data is used to aid with decisions related to road closures or modeling efforts by mitigation decision-makers, emergency managers, and the public, including the Texas Department of Transportation, Houston Transtar, the National Weather Service, and the Sabine River Authority of Texas (SRA).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

End-to-end online performance data capture and analysis for scientific workflows

With the increased prevalence of employing workflows for scientific computing and a push towards exascale computing, it has become paramount that we are able to analyze characteristics of scientific applications to better understand their impact on the underlying infrastructure and vice-versa. Such analysis can help drive the design, development, and optimization of these next generation systems and solutions. Here, we present the architecture, integrated with existing well-established and newly developed tools, to collect online performance statistics of workflow executions from various, heterogeneous sources and publish them in a distributed database (Elasticsearch). Using this architecture, we are able to correlate online workflow performance data, with data from the underlying infrastructure, and present them in a useful and intuitive way via an online dashboard. We have validated our approach by executing two classes of real-world workflows, both under normal and anomalous conditions. The first is an I/O-intensive genome analysis workflow; the second, a CPU- and memory-intensive material science workflow. Based on the data collected in Elasticsearch, we are able to demonstrate that we can correctly identify anomalies that we injected. The resulting end-to-end data collection of workflow performance data is an important resource of training data for automated machine learning analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Data-driven design of molecular nanomagnets

Three decades of research in molecular nanomagnets have raised their magnetic memories from liquid helium to liquid nitrogen temperature thanks to a wise choice of the magnetic ion and coordination environment. Still, serendipity and chemical intuition played a main role. In order to establish a powerful framework for statistically driven chemical design, here we collected chemical and physical data for lanthanide-based nanomagnets, catalogued over 1400 published experiments, developed an interactive dashboard (SIMDAVIS) to visualise the dataset, and applied inferential statistical analysis. Our analysis shows that the Arrhenius energy barrier correlates unexpectedly well with the magnetic memory. Furthermore, as both Orbach and Raman processes can be affected by vibronic coupling, chemical design of the coordination scheme may be used to reduce the relaxation rates. Indeed, only bis-phthalocyaninato sandwiches and metallocenes, with rigid ligands, consistently present magnetic memory up to high temperature. Analysing magnetostructural correlations, we offer promising strategies for improvement, in particular for the preparation of pentagonal bipyramids, where even softer complexes are protected against molecular vibrations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Colloidal quantum dot based infrared detectors: extending to the mid-infrared and moving from the lab to the field

Quantum dots (QDs) that absorb in the mid-wave infrared (MWIR) regime (3–5 μm) have recently generated significant interest as possible detector materials for MWIR cameras, with promises to reduce materials and device fabrication costs and potentially increase device operating temperatures. However, these materials have been primarily explored in single pixel devices – not multi-pixel cameras – and their current performance lags behind that of commercially available MWIR cameras based on single crystalline materials. To realize the potential of QD MWIR photodetectors with imaging capabilities, improvements are needed in the quality of the MWIR-absorbing QD materials, ligands dictating inter-QD charge transport, ordering of QD films, device architectures, and scalability of these methods to larger areas. With three families of QDs being researched – lead-, silver-, and mercury-based chalcogenides – as well as a multitude of possible capping ligands and film deposition techniques, the experimental phase space for MWIR QDs is vast. Here, we provide a roadmap, considering the pros and cons of various film deposition and ligand exchange techniques, as well as reintroduce lessons learned over years of research on QD film formation. We also extracted and created a database of reported quantum dot photodetectors’ performance and fabrication methods and have developed an interactive data visualization dashboard for this database, which provides researchers in the field a quick snapshot of the existing state of the art. Finally, we outline figures of merit and information that should be presented in papers moving forward which would help to clarify the reported results, as well as offer ideas for future steps. We provide a database visualization of the QD photodetector literature at https://public.tableau.com/app/profile/tom.nakotte/viz/IRQDphotodetectors_16384709473480/Dashboard1#1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Automated and Distributed Monte Carlo Generation for GlueX

MCwrapper is a set of systems that manages the entire Monte Carlo production workflow for GlueX and provides standards for how that Monte Carlo is produced. MCwrapper was designed to be able to utilize a variety of batch systems in a way that is relatively transparent to the user, thus enabling users to quickly and easily produce valid simulated data at home institutions worldwide. Additionally, MCwrapper supports an autonomous system that takes user’s project submissions via a custom web application. The system then atomizes the project into individual jobs, matches these jobs to resources, and monitors the jobs status. The entire system is managed by a database which tracks almost all facets of the systems from user submissions to the individual jobs themselves. Users can interact with their submitted projects online via a dashboard or, in the case of testing failure, can modify their project requests from a link contained in an automated email. Beginning in 2018 the GlueX Collaboration began to utilize the Open Science Grid (OSG) to handle a bulk of simulation tasks; these tasks are currently being performed on the OSG automatically via MCwrapper. This talk will outline the entire system of MCwrapper, its use cases, and the unique challenges facing the system.

Britton, Thomas↗
DOE OSTI2021

OBO Foundry in 2021: operationalizing open data principles to evaluate ontologies

Biological ontologies are used to organize, curate and interpret the vast quantities of data arising from biological experiments. While this works well when using a single ontology, integrating multiple ontologies can be problematic, as they are developed independently, which can lead to incompatibilities. The Open Biological and Biomedical Ontologies (OBO) Foundry was created to address this by facilitating the development, harmonization, application and sharing of ontologies, guided by a set of overarching principles. One challenge in reaching these goals was that the OBO principles were not originally encoded in a precise fashion, and interpretation was subjective. Here, we show how we have addressed this by formally encoding the OBO principles as operational rules and implementing a suite of automated validation checks and a dashboard for objectively evaluating each ontology’s compliance with each principle. This entailed a substantial effort to curate metadata across all ontologies and to coordinate with individual stakeholders. We have applied these checks across the full OBO suite of ontologies, revealing areas where individual ontologies require changes to conform to our principles. Our work demonstrates how a sizable, federated community can be organized and evaluated on objective criteria that help improve overall quality and interoperability, which is vital for the sustenance of the OBO project and towards the overall goals of making data Findable, Accessible, Interoperable, and Reusable (FAIR).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

An Integrated Platform for Collaborative Data Analytics

While collaboration among data scientists is a key to organizational productivity, data analysts face significant barriers to achieving this end, including data sharing, accessing and configuring the required computational environment, and a unified method of sharing knowledge. Each of these barriers to collaboration is related to the fundamental question of knowledge management “how can organizations use knowledge more effectively?”. In this paper, we consider the problem of knowledge management in collaborative data analytics and present ShareAL, an integrated knowledge management platform, as a solution to that problem. The ShareAL platform consists of three core components: a full stack web application, a dashboard for analyzing streaming data and a High Performance Computing (HPC) cluster for performing real time analysis. Prior research has not applied knowledge management to collaborative analytics or developed a platform with the same capabilities as ShareAL. ShareAL overcomes the barriers data scientists face to collaboration by providing intuitive sharing of data and analytics via the web application, a shared computing environment via the HPC cluster and knowledge sharing and collaboration via a real time messaging application.

Oesch, T↗
DOE OSTI2020

A Novel Architecture for Attack-Resilient Wide-Area Protection and Control System in Smart Grid

Wide-area protection and control (WAPAC) systems are widely applied in the energy management system (EMS) that rely on a wide-area communication network to maintain system stability, security, and reliability. As technology and grid infrastructure evolve to develop more advanced WAPAC applications, however, so do the attack surfaces in the grid infrastructure. This paper presents an attack-resilient system (ARS) for the WAPAC cybersecurity by seamlessly integrating the network intrusion detection system (NIDS) with intrusion mitigation and prevention system (IMPS). In particular, the proposed NIDS utilizes signature and behavior-based rules to detect attack reconnaissance, communication failure, and data integrity attacks. Further, the proposed IMPS applies state transition-based mitigation and prevention strategies to quickly restore the normal grid operation after cyberattacks. As a proof of concept, we validate the proposed generic architecture of ARS by performing experimental case study for wide-area protection scheme (WAPS), one of the critical WAPAC applications, and evaluate the proposed NIDS and IMPS components of ARS in a cyber-physical testbed environment. Our experimental results reveal a promising performance in detecting and mitigating different classes of cyberattacks while supporting an alert visualization dashboard to provide an accurate situational awareness in real-time.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

LLM-Inference-Bench: Inference Benchmarking of Large Language Models on AI Accelerators

Large Language Models (LLMs) have propelled groundbreaking advancements across several domains and are commonly used for text generation applications. However, the computational demands of these complex models pose significant challenges, requiring efficient hardware acceleration. Benchmarking the performance of LLMs across diverse hardware platforms is crucial to understanding their scalability and throughput characteristics. We introduce LLM-Inference-Bench, a comprehensive benchmarking suite to evaluate the hardware inference performance of LLMs. We thoroughly analyze diverse hardware platforms, including GPUs from Nvidia and AMD and specialized AI accelerators, Intel Habana and SambaNova. Our evaluation includes several LLM inference frameworks and models from LLaMA, Mistral, and Qwen families with 7B and 70B parameters. Our benchmarking results reveal the strengths and limitations of various models, hardware platforms, and inference frameworks. We provide an interactive dashboard to help identify configurations for optimal performance for a given hardware platform.

Chitty-Venkata, Krishna Teja↗
DOE OSTI2024

Cy-Phy ADS: Cyber Physical Anomaly Detection Framework for EV Charging Systems

Today’s large-scale Electric Vehicle (EV) infrastructures are heavily dependent on information communication technologies to maintain their operation and to support communication within sub-system components as well as the outside world. These technologies are vulnerable to various cyber and physical threats. Timely identification and mitigation of these threats are critical for improving human safety, avoiding economic losses, and preventing catastrophic system failures. By addressing this, our work presents a ResNet Autoencoder (AE) based Cyber-Physical Anomaly Detection System (Cy-Phy ADS) for detecting anomalies in EV Controller Area Network (CAN) protocol communication. It consists of four main components: Cyber-Physical Feature Extractor, ResNet AE-based Anomaly Detection Framework, Cyber-Physical Health Metric (CPHM), and Visualization Dashboard. The presented framework was trained and tested using CAN data collected from the EV charging system testbed at the Idaho National Laboratory. The presented Cy-Phy ADS compared against six widely used unsupervised anomaly detection algorithms: One Class Support Vector Machine (OCSVM), Variational Autoencoder (VAE), LSTM Autoencoder (LSTM AE), Isolation Forest (IForest), Principle Component Analysis (PCA) and Local Outlier Factor (LOF). Here the presented approach showed the highest accuracy among the compared methods. Further, the proposed approach showed comparable performance in terms of precision, F1, and False positive rate. It also showed the lowest training and inference time compared to the neural network-based baseline algorithms compared against with. Additionally, the Cy-Phy ADS has advantages such as unsupervised training, the ability to provide a holistic metric for system health characterization, and non-linear feature extraction.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

LatticeAnalytics: Strut-Level Visualization and Inspection of Additively Manufactured Lattice Structures

Additive manufacturing (AM) is revolutionizing the production of custom components with complex internal geometries, essential for high-performance applications in diverse fields such as medicine and defense. These AM parts optimize strength while minimizing weight by utilizing internal lattice structures consisting of large quantities of small interconnected struts. However, the complexity of these structures, combined with the challenges of using X-ray Computed Tomography (XCT) data, makes validation of part reliability difficult. This ultimately inhibits the development of novel parts for our collaborating material scientists. Here, we introduce LatticeAnalytics, a novel framework specifically designed for visual inspection of defects in these lattice structures. Our framework offers an end-to-end solution that includes the data management of XCT scans, enables remote access for geographically dispersed teams through a web-based dashboard, and incorporates novel visualizations. Our analysis is facilitated by a coarse alignment between the lattice’s nominal model, a spatial graph, and the XCT data. We employ a simple VR-based approach for fast and rough alignment, followed by an offline registration and identification of the struts. With the nodes and struts aligned and identified in the volume, our framework allows querying of subvolumes containing a single strut at multiple resolutions. This avoids computation over the entire lattice and also allow for easy parallelization of down-stream computations, such as strut-specific metrics. To depict a fast overview of the strut quality, we introduce two innovative visual encodings, crucial for our collaborators’ research in creating novel AM parts: the Contour View and the Roughness Map, which depict critical geometrical and surface features of individual struts in standardized two 2D views. We evaluated the integrated system through expert interviews. The feedback confirms the framework’s practicality and its effectiveness in enhancing current inspection workflows. It solves major bottlenecks for our collaborators, ultimately helping them create novel parts with advanced properties.

Miao, Haichao [Lawrence Livermore National Laborat↗
DOE OSTI2024

Visualizing an Exascale Data Center Digital Twin: Considerations, Challenges and Opportunities

Digital twins are an excellent tool to model, visualize, and simulate complex systems, to understand and optimize their operation. In this work, we present the technical challenges of real-time visualization of a digital twin of the Frontier supercomputer.We show the initial prototype and current state of the twin and highlight technical design challenges of visualizing such a large High Performance Computing (HPC) system. The goal is to understand the use of augmented reality as a primary way to extract information and collaborate on digital twins of complex systems. This leverages the spatio-temporal aspect of a 3D representation of a digital twin, with the ability to view historical and real-time telemetry, triggering simulations of a system state and viewing the results, which can be augmented via dashboards for details. Finally, we discuss considerations and opportunities for augmented reality of digital twins of large-scale, parallel computers.

Maiterth, Matthias↗