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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

PanDA: Production and Distributed Analysis System

The Production and Distributed Analysis (PanDA) system is a data-driven workload management system engineered to operate at the LHC data processing scale. The PanDA system provides a solution for scientific experiments to fully leverage their distributed heterogeneous resources, showcasing scalability, usability, flexibility, and robustness. The system has successfully proven itself through nearly two decades of steady operation in the ATLAS experiment, addressing the intricate requirements such as diverse resources distributed worldwide at about 200 sites, thousands of scientists analyzing the data remotely, the volume of processed data beyond the exabyte scale, dozens of scientific applications to support, and data processing over several billion hours of computing usage per year. PanDA’s flexibility and scalability make it suitable for the High Energy Physics community and wider science domains at the Exascale. Beyond High Energy Physics, PanDA’s relevance extends to other big data sciences, as evidenced by its adoption in the Vera C. Rubin Observatory and the sPHENIX experiment. As the significance of advanced workflows continues to grow, PanDA has transformed into a comprehensive ecosystem, effectively tackling challenges associated with emerging workflows and evolving computing technologies. The paper discusses PanDA’s prominent role in the scientific landscape, detailing its architecture, functionality, deployment strategies, project management approaches, results, and evolution into an ecosystem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

COSMIC DAWN: Distributed Analysis of Wireless at Nextscale

Distributed Analysis of Wireless at Nextscale (DAWN) is a novel simulation framework for large-scale design-space exploration (DSE) of unmodified software-defined radio (SDR) applications interacting in a scalable, high-fidelity, virtual physics environment. The software-defined nature of the coupled software-physics simulation leverages hardware emulation to permit in-depth examination and modification of not only the electromagnetic environment, including each signal in flight, but also the precise state of system software and components. DAWN supports modular, customizable physics environments allowing realistic propagation effects so that computationally efficient empirical models, reduced order/surrogate models, or large-scale, high-fidelity, site-specific simulations can be used as a propagation medium based on scenario requirements. This paper introduces DAWN’s design and initial implementation, detailing key architectural components, including the Physics Realization Engine (PhyRE), Runtime Infrastructure for Simulation Environments (RISE), and the design space exploration (DSE) suite. It concludes with demonstrations using unmodified 4G/LTE software available from srsRAN on computing resources ranging from a small cluster to ORNL’s Frontier Exascale system.

Wise, Mike [ORNL] (ORCID:0000000266120641)↗
DOE OSTI2022

Spin-lattice coupling in magnetocaloric Gd 5 ( Ge , Si ) 4 alloys by $in$ $situ$ x-ray pair distribution analysis in magnetic field

Here, using in situ x-ray pair distribution analysis in magnetic field, we study the strong spin-lattice coupling in archetypal magnetocaloric Gd 5 (Ge,Si) 4 alloys manifested by the presence of a first order paramagnetic (PM)-to-ferromagnetic (FM) phase transition that can be triggered by either decreasing temperature in zero magnetic field or increasing magnetic field at constant temperature. We find that the coupling arises from the tendency of Gd-(Si,Ge) slabs in the alloys to reversibly slide against each other to both pack closely and couple ferromagnetically. We also find that, locally, the packing of slabs in FM phases induced by decreasing temperature in zero field is different from that in FM phases of the same chemical composition induced by increasing magnetic field isothermally, indicating that temperature and magnetic field are coupled but not necessarily equivalent control variables for triggering phase transitions in strongly correlated systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Molecular Weight Distribution Analysis of Pyrolysis Oils by Gel Permeation Chromatography

Comprehensive analysis of the molecular weight distribution of raw and catalytic fast pyrolysis oils derived from biomass remains a key technical hurdle to understanding oil quality as it relates to downstream use and multiple methods may be necessary to accurately represent all components present. Here, we report the molecular weight distribution metrics of fast pyrolysis (FP) and catalytic fast pyrolysis (CFP) oils as determined by gel permeation chromatography (GPC) combined with UV-diode array (UV), differential refractive index (RI), and multi-angle laser light scattering (MALS) detection. The measured molar mass distributions revealed that FP oil consisted of a higher proportion of larger products relative to the low molecular weight products contained in the CFP oil. GPC/RI and UV methods showed FP oil to have higher weight-average molecular weight (Mw) and number-average molecular weight (Mn) than CFP oil based on elution time. However, GPC/MALS, determined the two oils to have similar overall molecular weight distribution metrics (Mw and Mn) and yielded values significantly higher than those determined by RI and UV detectors relative to external standards. Overall, the use of a multiple detection GPC method could enable a more accurate comparison and determination of true molecular weight metrics of bio-oils.

BIOMASS FUELS↗
DOE OSTI2025

Time Distribution Analysis for Task Primitives to Support Dynamic Human Reliability Analysis

To support data collection for dynamic human reliability analysis (HRA), this study investigates time distributions for task primitives defined in the Goals, Operators, Methods, and Selection rules (GOMS)–Human Reliability Analysis (HRA) method and Human Reliability data EXtraction (HuREX). GOMS-HRA was developed to provide cognition-based time and human error probability (HEP) information for dynamic HRA calculations within the Human Unimodel for Nuclear Technology to Enhance Reliability (HUNTER) framework, while HuREX is a comprehensive HRA data collection method developed by the Korea Atomic Energy Research Institute (KAERI). In this paper, we examine time distributions by using experimental data collected from the Simplified Human Error Experimental Program (SHEEP) study, which proposes an HRA data collection framework to complement full-scope simulator research and gather input data for dynamic HRA by using simplified simulators such as the Rancor Microworld simulator. This paper investigates whether the time required for GOMS-HRA and HuREX task primitives fits 13 statistical distributions. Additionally, we compare and discuss the time distributions obtained from both student operators and professional operators. The result was that this study identified several time distributions for five GOMS-HRA and four HuREX task primitives. In the future, the results of this study are expected to provide objective reference data on the elapsed time for task primitives and aid in realistically simulating scenarios within dynamic HRA.

Dynamic Human Reliability Analysis↗
DOE OSTI2025

Chemistry imaging and distribution analysis of rare earth elements in coal using LIBS and LA-ICP-MS instruments

Currently, demand for rare earth elements (REEs) increased significantly. Coal is actively evaluated as potential economic sources for extraction of REEs. Here, in this work, laser-induced breakdown spectroscopy (LIBS) was evaluated for rapid estimation of REEs content and their distribution in the natural coal samples. The results were compared with similar laser ablation–inductively coupled plasma–mass spectrometry (LA-ICP-MS) measurements. Thirteen coal samples (nine standard samples and five natural samples) were used in this study. Powder samples were pressed into pellets while coal chunks were directly ablated for data recording. Pellets of the powder standard samples were used to optimize the data acquisition system and then data recorded with this optimized system was used to identify the proper data acquisition and analysis models. After establishing the proper data acquisition system and analysis model using the standard samples, natural coal samples in powder form and their chunks were utilized to record LIBS and LA-ICP-MS spectra. Multivariate calibration models were developed using four of the natural samples, which were evaluated by predicting the REE content in the fifth sample. Principal component analysis was performed on the LIBS data obtained from the natural samples and it classified all the samples with high accuracy. Two-dimensional (2D) elemental mapping on coal chunk samples was also performed using both LIBS and LA-ICP-MS to study the distribution of REEs in the samples. The resulting elemental images and their correlations can be used to infer mineral distributions.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

Dynamic Heat Flow and Current Distribution Analysis in the Bottom Anode of an Electric Arc Furnace Using Fiber-Optic Sensors

A reliable method for monitoring bottom anode wear during DC Electric Arc Furnace (DC-EAF) operation is of critical importance for safe and efficient steel production. Underestimation of bottom wear poses a serious safety risk that must be avoided, while overestimation of bottom wear also poses challenges, as premature anode replacement is expensive and affects EAF productivity. Previously, we demonstrated that fiber-optic sensors can be successfully deployed to create a spatially distributed temperature map to monitor the health of the anode. The present work explores the heat flow and current density distribution in bottom anode pins to predict bottom wear, steel penetration events, and monitor refractory erosion. Small dynamic variations in pin temperature induced by joule heating during arcing also provide a means to observe local current flows in each pin. When mapped, these measurements provide a real-time view of the non-uniform and dynamic current flow in the bottom anode during EAF operation that can affect bottom wear.

Bottom Anode↗
DOE OSTI2026

Comprehensive earthquake catalogue update and spatiotemporal distribution analysis for Iraq and surrounding regions, northeastern Arabian Plate

The updated earthquake catalogue for Iraq covers the period from 1900 to the end of 2021 and includes over 37 000 recorded earthquakes. To create this comprehensive catalogue, five key steps were taken: compiling bulletins, calculating moment magnitudes, harmonizing magnitudes, establishing empirical conversion relations and evaluating the completeness of the catalogue. A notable enhancement in this update is the direct calculation of moment magnitudes for approximately 2800 earthquakes, achieved through the coda envelope technique and waveform data from the Mesopotamian Seismological Network (MPSN) in Iraq. This updated catalogue serves as a valuable resource for examining the spatiotemporal distribution of earthquakes, with respect to earthquake density, maximum moment magnitude and seismogenic depths. Additionally, the Gutenberg–Richter relationship was applied to calculate the a- and b-values specific to Iraq. The findings show that the Zagros Fold-Thrust Belt has a seismogenic layer (source) that ranges from 2 to 33 km deep and experiences high seismic activity. In contrast, the Mesopotamian Foredeep has a seismogenic layer ranging from 1 to 25 km deep and has lower seismic activity. The greatest seismic activity is concentrated around the Mandili-Badra-Teeb fault, which has experienced significant ruptures over time. The Outer Arabian Platform is identified as the main area of seismic activity, while additional activity occurs on the Inner Arabian Platform. Three major tectonic boundaries define the distribution of earthquakes in the northeastern Arabian Plate. These boundaries are defined by the Main Zagros Reverse Fault, the Zagros Foredeep Fault and the Anah Graben and Abu Jir-Euphrates Fault Zone. These boundaries highlight variations in seismicity levels and the spatial distribution of deformation in the region. The updated earthquake catalogue presented in this study is expected to play a vital role in regional seismicity assessments and seismic hazard analyses for Iraq and its surrounding areas.

58 GEOSCIENCES↗
DOE OSTI2023

Modeling Short-Range Order in Disordered Rocksalt Cathodes by Pair Distribution Function Analysis

Pair distribution function (PDF) analysis is a powerful technique for the characterization of short-range order (SRO) in disordered materials. Accurate interpretation of experimental PDF data is critically reliant on the development of structural models that can account for local variations in site occupancies and bond lengths. To this end, we outline an approach to model SRO using first-principles calculations based on the cluster-expansion formalism. These methods are validated on neutron scattering data from two disordered rocksalt oxyfluorides, Li 1.3 Mn 0.4 Ti 0.3 O 1.7 F 0.3 and Li 1.3 Mn 0.4 Nb 0.2 Ti 0.1 O 1.7 F 0.3 . For each composition, we demonstrate that an average structure without any SRO fails to reproduce several key features in the experimental PDF. To pinpoint the origin of the suspected SRO in these materials, configurational and displacive effects were separately investigated using two disparate models. Special quasi-random structures were relaxed using density functional theory to account for local changes in bond lengths while maintaining a near-random ionic configuration. This leads to slightly improved accuracy but still misrepresents asymmetry in the first few peaks of the PDF. Monte Carlo simulations were performed to model configurational SRO on a fixed lattice, which by itself is shown to have a minimal influence on the PDF. Instead, we find that it is the bond length relaxations within environments created by SRO which controls the details of the PDF, thereby highlighting the subtle but important coupling between configurational and displacive SRO in disordered materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Establishing and Maintaining Engagement for a Distributional Equity Analysis [Slides]

The Distributional Equity Analysis (DEA) is an analytical framework that allows for the evaluation of the distributional equity of utility resource investments in combination with benefit-cost analysis. This guide serves as a resource for organizations to develop an engagement strategy for a DEA that is accessible, inclusive, and grounded in community interests. It is organized by the guiding principles of engagement for a DEA, summarized in the figure on the right, and offers a compendium of resources for further support and learning.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Experimental Analysis of Distribution Network Voltage Regulation Using Smart Inverters

Smart inverters (SIs) have demonstrated their potential to provide grid services for both transmission and distribution systems. One of these grid services, distribution network voltage regulation by SIs, has the potential to improve network voltage regulation through controlling the reactive and active power output of the SIs. Voltage regulation by SIs will be distributed and might be better suited to controlling local conditions to complement traditional voltage-regulating assets, e.g., tap-changing transformers, capacitor banks, and line voltage regulators. There is a gap in the literature on comparing the SI response characteristics when the SIs are controlled by a local controller or external control signals. This paper presents an experimental study to characterize SI reactive power regulation responses to two different control methods: autonomous control and remote dispatch. We found that SI reactive power regulation responses exhibit important differences between these methods in terms of delays and ramp rate. Finally, power-hardware-in-the-loop (PHIL) tests were conducted to evaluate the performance of these two methods. The PHIL test results show that the SI response characteristics for autonomous control and remote dispatch need to be considered when planning for distribution network voltage regulation using SIs.

autonomous control↗
DOE OSTI2021

An Analysis Framework for Distribution Network DER Integration Analysis in India: Distributed Solar in Tamil Nadu

This report is part of a two-part series that represents a year-long collaboration with the Tamil Nadu Generation and Distribution Corporation Limited (TANGEDCO) on power sector planning. The first report in this series, the Pathways for Tamil Nadu’s Electric Power Sector 2017-2030 report outlines NREL’s work with TANGEDCO's electricity sector planning department to develop a model of the State’s power system and evaluate multiple scenarios of system growth given resource constraints, costs of technologies, and power sector policies. This second report in this series focuses on the rapidly transforming distribution network in the State. The report outlines a framework developed by NREL with TANGEDCO's distribution utility to quickly and accurately analyze the impacts of integrating renewable energy, specifically rooftop solar PV onto Tamil Nadu's distribution system. Together these studies help to prepare Tamil Nadu for a rapidly transforming power system.

14 SOLAR ENERGY↗
DOE OSTI2022

A Retrospective Analysis of Distributed Solar Interconnection Timelines and Related State Mandates

Most distributed residential photovoltaic (PV) systems must secure an interconnection agreement prior to operation that ensures the local electrical system will operate safely within the broader electrical grid. PV installers generally submit an interconnection application to the local utility that provides all the necessary details the utility needs to evaluate the proposed system. To encourage timely execution of this process, many states’ utility commissions have established mandates that limit the maximum number of days allowed for utility review and approval of interconnection for certain small, often residential applications. In this paper, we derive the median and range of cycle times for the pre-installation approval phase of the interconnection process (i.e., from application submission to approval by the utility) across 24 U.S. states, using a data set of approximately 170,000 projects. We evaluate the percentage of projects that are approved within respective state-mandated timelines from 2017– 2019. We further evaluate how timelines have evolved since 2012 for a subset of five states: Arizona, California, Colorado, New Jersey, and New York. The analyses are divided into two size ranges: systems that are ≤10 kilowatts (kW), and systems that are 11–50 kW.

14 SOLAR ENERGY↗
DOE OSTI2021

Bimetallic Copper/Ruthenium/Osmium Complexes: Observation of Conformational Differences Between the Solution Phase and Solid State by Atomic Pair Distribution Function Analysis

High-energy X-ray scattering and pair distribution function analysis (HEXS/PDF) is a powerful method to reveal the structure of materials lacking long-range order, but is underutilized for molecular complexes in solution. Here we demonstrate the application of HEXS/PDF with 0.26 Å resolution to uncover the solution structure of five bimetallic Cu I /Ru II /Os II complexes. HEXS/PDF of each complex in acetonitrile solution confirms the pairwise distances in the local coordination sphere of each metal center as well as the metal...metal distances separated by over 12 Å. The metal…metal distance detected in solution is compared with that from the crystal structure and molecular models to confirm that distortions to the metal bridging ligand are unique to the solid state. This work presents the first example of observing sub-Ångström conformational differences by direct comparison of solution phase and solid-state structures and shows the potential for HEXS/PDF in the determination of solution structure of single molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Geospatial Capabilities to Couple Hazard and Social Vulnerability Data in Water Distribution Criticality Analysis

A resilience analysis of a water distribution system is greatly enhanced by the integration of up-to-date geospatial data describing the water system, hazards, and surrounding community. The Water Network Tool for Resilience (WNTR), an open-source Python package designed to simulate and analyze the resilience of water distribution systems, was recently updated to incorporate geographic information system (GIS) data into the resilience analysis. This paper describes the GIS capabilities and includes a case study using the drinking water distribution system model for a large city in Pennsylvania. The case study focuses on potential pipe damage from landslides and on pipes that are particularly difficult to repair. The analysis couples data on hazards, social vulnerability, and the location of emergency services to identify and prioritize high-impact critical infrastructure for mitigation. Results demonstrate that pipes can be prioritized for mitigation based on water shortage and vulnerable populations that are affected. In conclusion, the methods can be adopted for general use and are available as part of the WNTR software.

GIS, landslide↗