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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 OSTI2022

Proximity Portability and in Transit , M-to-N Data Partitioning and Movement in SENSEI [Book Chapter]

In high-performance parallel in situ processing, the term in transit processing refers to those configurations where data must move from a producer to a consumer that runs on separate resources. In the context of parallel and distributed computing on an HPC platform one of the central challenges is to determine a mapping of data from producer ranks to consumer ranks. This problem is complicated by the heterogeneity that arises in producer-consumer pairs, such as when producer and consumer codes have different levels of concurrency, different scaling characteristics, or different data models. The resulting mapping and movement of data from M producer to N consumer ranks can have a significant impact on aggregate application performance, particularly when the data consumer requires only a subset of the overall data for its task. This chapter focuses on the design considerations that underlie SENSEI’s implementation to this challenging problem. These design considerations extend the core SENSEI architecture and include ideas like the need to accommodate flexibility in the choice of different partitioning methods, the ability for a data consumer to request and receive only the subset of data needed for its particular operation, and the ability to leverage any of several different data transport tools. The idea of proximity portability, being able to use different data transport methods as part of an in transit workflow, is illustrated through the use of three different transport layers where switching from one transport tool to another is accomplished with only a configuration file change. Here, the chapter also includes a performance analysis summary showing the performance gains that are possible in terms of multiple metrics, such as memory footprint, time to solution, and amount of data moved, when using optimized partitioners in an in transit setting, gains that are made possible by the implementation shaped by specific design considerations.

Bethel, E. Wes↗
DOE OSTI2025

OLCF’s Advanced Computing Ecosystem (ACE): FY25 Update for Ongoing Efforts

The advent of widespread use of artificial intelligence (AI) and machine learning (ML) models in science, coupled with fast data production rates of scientific instruments strain the traditional batch-oriented high-performance computing (HPC) environment. As scientific exploration continues to require more data and faster processing and analysis, new emerging technologies and capabilities to enable cross-facility and time-sensitive workflows are required for seamless integration of HPC and experimental facilities. The Advanced Computing Ecosystem (ACE) is a strategic initiative within the Oak Ridge Leadership Computing Facility (OLCF) established in 2024 to support the development of cutting-edge technologies to advance computational research and infrastructure at OLCF and across the Department of Energy (DOE). Several DOE initiatives are spearheading the evolution of the scientific landscape by blurring facility boundaries and connecting the user facilities to advance scientific capabilities and ensure energy dominance. The DOE Integrated Research Infrastructure (IRI) program is one example that is laying a foundation to support complex cross-facility workflows. The IRI program aims to integrate diverse computational resources, data infrastructures, and scientific instruments to facilitate collaboration and accelerate scientific discovery. The Interconnected Science Ecosystem (INTERSECT) initiative at Oak Ridge National Laboratory (ORNL) is another example that aims to revolutionize scientific research through AI-driven, interconnected autonomous laboratories and research facilities. Finally, the American Science Cloud (AmSC), recently announced in the “One Big Beautiful Bill”, aims to leverage prior infrastructure efforts of the IRI and automation and AI efforts of INTERSECT (and others) to build a federated, AI-augmented AmSC platform to unify the DOE’s computing, experimental, and data resources to catalyze scientific innovation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Foliar element determination from field survey in association with the National Ecological Observatory Network Airborne Observation Platform survey, East River, Colorado 2018

The purpose of this dataset is to support research aimed at understanding the coupling between hydrologic and biogeochemical processes at watershed scale, particularly the relationship between aboveground vegetation characteristics and subsurface soil properties. These data are intended to inform and calibrate models of catchment-scale biogeochemical fluxes, including rock-derived nutrient cycling, and they were procured to address the following questions: (1) What is the distribution of vegetation characteristics across the study catchments? (2) Are foliar concentrations of rock-derived nutrients related to underlying lithology and soil availability, or are these signals masked by biotic nutrient cycling and retention processes?This data package contains foliar elemental data collected during the 2018 National Ecological Observatory Networks (NEON) Airborne Observation Platform (AOP) imaging spectroscopy and lidar surveys in Gunnison County, Colorado. Folair samples were collected across the East River, Washington Gulch, Slate River, and Coal Creek watersheds and contain a mixture of vegetation including meadow, shrub, and tree foliar samples. The samples were processed using aqua regia digestion and analyzed for elemental determination on inductively coupled plasma optical emission spectrometry (ICP-OES).The data package includes: (1) raw foliar elemental data files in CSV and PDF formats, (2) quality control certificates in PDF format, and (3) an aggregated CSV file containing all elemental measurements compiled across samples. No specialized software is required to access or use these files.

2018 National Ecological Observatory Network Campa↗
DOE OSTI2026

OC6 Project Phase IV: Validation of Numerical Models for Novel Floating Offshore Wind Support Structures

The fourth phase of the Offshore Code Comparison, Collaboration, Continued, with Correlation and unCertainty (OC6) aims to assess the ability of the tools to model a novel floating wind design. The design that was selected for this project is the TetraSpar designed by Stiesdal Offshore Technologies. The platform is a unique design that features a spar like stability with a very low center of gravity, but does not require deep-water ports. This combination is achieved with a system made of two separate steel structures, a hull at the water’s surface that supports the wind turbine tower, and a keel that is suspended below the main body. This lower keel has a very high density and drives the total platform’s low center of gravity. Scaled model tests of the TetraSpar design were performed in 2018-2019 by the University of Maine. The tests were performed with 1:43 Froude scaling. The data collected in the model tests provide a detailed description of the response of the platform in various controlled and relatively well understood conditions. Comparison with these data provides a good opportunity for validation of numerical models. The OC6 Phase IV work will focus on the specific parameters used in these scaled model tests. The load cases (LC) considered in this project are as follows: LC 1.X - Equilibrium and Static Offset Tests LC 2.X - Platform Free Decays LC 3.X - Turbine Thrust (Wind Only) LC 4.X - Regular and Irregular Waves (Wave only) LC 5.X - Combined Wind and Wave Loading

17 WIND ENERGY↗
DOE OSTI2023

Demonstration of neutron-yield enhancement by laser preheating and magnetization of laser-driven cylindrical implosions

Magnetized liner inertial fusion (MagLIF) is a fusion concept that uses magnetized, preheated fuel to reduce the implosion velocities and convergence ratios required for ignition. A scaled, laser-driven experimental platform to study MagLIF has been demonstrated on the OMEGA laser system, providing comprehensive experimental data on MagLIF scaling, utilizing the higher shot rate on OMEGA compared to the Z machine. Using this platform, a broader experimental space for MagLIF has been studied. Presented in this article are experimental results that demonstrate that the combination of preheat and magnetization enhances the neutron yield by 470% compared to a reference implosion, significantly more than the yield enhancement by the field or preheat alone. These results are achieved while maintaining a relatively low convergence ratio (<20). Here, the experiments were supported by one-, two-, and three-dimensional radiation-hydrodynamics simulations, all of which suggest that multiple sources of mix play different key roles depending on the scale of the MagLIF experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Ontology-Enriched Specifications Enabling Findable, Accessible, Interoperable, and Reusable Marine Metagenomic Datasets in Cyberinfrastructure Systems

Marine microbial ecology requires the systematic comparison of biogeochemical and sequence data to analyze environmental influences on the distribution and variability of microbial communities. With ever-increasing quantities of metagenomic data, there is a growing need to make datasets Findable, Accessible, Interoperable, and Reusable (FAIR) across diverse ecosystems. FAIR data is essential to developing analytical frameworks that integrate microbiological, genomic, ecological, oceanographic, and computational methods. Although community standards defining the minimal metadata required to accompany sequence data exist, they haven’t been consistently used across projects, precluding interoperability. Moreover, these data are not machine-actionable or discoverable by cyberinfrastructure systems. By making ‘omic and physicochemical datasets FAIR to machine systems, we can enable sequence data discovery and reuse based on machine-readable descriptions of environments or physicochemical gradients. In this work, we developed a novel technical specification for dataset encapsulation for the FAIR reuse of marine metagenomic and physicochemical datasets within cyberinfrastructure systems. This includes using Frictionless Data Packages enriched with terminology from environmental and life-science ontologies to annotate measured variables, their units, and the measurement devices used. This approach was implemented in Planet Microbe, a cyberinfrastructure platform and marine metagenomic web-portal. Here, we discuss the data properties built into the specification to make global ocean datasets FAIR within the Planet Microbe portal. We additionally discuss the selection of, and contributions to marine-science ontologies used within the specification. Finally, we use the system to discover data by which to answer various biological questions about environments, physicochemical gradients, and microbial communities in meta-analyses. This work represents a future direction in marine metagenomic research by proposing a specification for FAIR dataset encapsulation that, if adopted within cyberinfrastructure systems, would automate the discovery, exchange, and re-use of data needed to answer broader reaching questions than originally intended.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format

Advances in mass spectrometry (MS) instrumentation, such as higher resolution, faster scan speeds, and improved sensitivity, have significantly increased the volume and complexity of data. The growing adoption of imaging and ion mobility further amplifies these challenges across MS-based omics fields, including proteomics, metabolomics, and lipidomics. While these technologies unlock new possibilities, they also present significant challenges in data management, storage, and accessibility. Existing open formats, such as the XML-based community standards mzML and imzML, struggle to meet the demands of modern MS workflows due to their large file sizes, slow data access, and limited metadata support. Vendor-specific formats, while optimized for proprietary instruments, lack interoperability, comprehensive metadata support and long-term archival reliability. This white paper lays the groundwork for mzPeak, a next-generation community data format designed to address these challenges and support high-throughput, multi-dimensional MS workflows. By adopting a hybrid model that combines efficient binary storage for numerical data and both human and machine-readable metadata storage, mzPeak will reduce file sizes, accelerate data access, and offer a scalable, adaptable solution for evolving MS technologies. For researchers, mzPeak will enable enhanced interoperability across platforms, seamless support for complex workflows including ion mobility and MS imaging, and faster data access compared to existing community formats such as mzML. Its design will ensure data is managed in compliance with regulatory standards, essential for applications such as precision medicine and chemical safety, where long-term data integrity and accessibility are critical. For vendors, mzPeak provides a streamlined, open alternative to proprietary formats, reducing the burden of regulatory compliance while aligning with the industry's push for transparency and standardization. By offering a high-performance, interoperable solution, mzPeak positions vendors to meet customer demands for sustainable data management tools which will be able to handle emerging and future data types and workflows. mzPeak aspires to become the cornerstone of MS data management, empowering researchers, vendors, and developers to innovate and collaborate more effectively.

data formats↗
DOE OSTI2023

System design and prototyping for the CMS Level-1 Trigger at the High-Luminosity LHC

For the High-Luminosity Large Hadron Collider, the trigger and data acquisition system of the CMS experiment will be entirely replaced. Novel design choices have been explored, including ATCA prototyping platforms with SoC controllers and newly available interconnect technologies with serial optical links with data rates up to 28 Gb/s. Trigger analyses will be performed through sophisticated algorithms, including widespread use of Machine Learning, in large FPGAs, such as the Xilinx Ultrascale family. The system will process over 50 Tb/s of detector data with an event rate of 750 kHz. Here, we describe system design and prototyping and review trigger algorithm exemplars.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

A cross-platform execution engine for the quantum intermediate representation

Hybrid languages like the quantum intermediate representation (QIR) are essential for programming systems that mix quantum and conventional computing models, while execution of these programs is often deferred to a system-specific implementation. Here, we develop the QIR Execution Engine (QIR-EE) for parsing, interpreting, and executing QIR across multiple hardware platforms. QIR-EE uses LLVM to execute hybrid instructions specifying quantum programs and, by design, presents extension points that support customized runtime and hardware environments. We demonstrate an implementation that uses the XACC quantum hardware-accelerator library to dispatch prototypical quantum programs on different commercial quantum platforms and numerical simulators, and we validate execution of QIR-EE on IonQ, Quantinuum, and IBM hardware. Our results highlight the efficiency of hybrid executable architectures for handling mixed instructions, managing mixed data, and integrating with quantum computing frameworks to realize cross-platform execution.

LLVM↗
DOE OSTI2023

A Vision for Coupling Operation of US Fusion Facilities with HPC Systems and the Implications for Workflows and Data Management

The operation of large US Department of Energy (DOE) research facilities, like the DIII-D National Fusion Facility, results in the collection of complex multi-dimensional scientific datasets, both experimental and model-generated. In the future, it is envisioned that integrated data analysis coupled with large-scale high performance computing (HPC) simulations will be used to improve experimental planning and operation. Practically, massive data sets from these simulations provide the physics basis for generation of both reduced semi-analytic and machine-learning-based models. Storage of both HPC simulation datasets (generated from US DOE leadership computing facilities) and experimental datasets presents significant challenges. In this paper, we present a vision for a DOE-wide data management workflow that integrates US DOE fusion facilities with leadership computing facilities. Data persistence and long-term availability beyond the length of allocated projects is essential, particularly for verification and recalibration of artificial intelligence and machine learning (AI/ML) models. Because these data sets are often generated and shared among hundreds of users across multiple leadership computing facility centers, they would benefit from cross-platform accessibility, persistent identifiers (e.g. DOI, or digital object identifier), and provenance tracking. Here, the ability to handle different data access patterns suggests that a combination of low cost, high latency (e.g. for storing ML training sets) and high cost, low latency systems (e.g. for real-time, integrated machine control feedback) may be needed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Phoenix: A Scalable Streaming Hypergraph Analysis Framework

We present Phoenix, a scalable hypergraph analytics framework for data analytics and knowledge discovery that was implemented on the leadership class computing platforms at Oak Ridge National Laboratory (ORNL). Our software framework comprises a distributed implementation of a streaming server architecture which acts as a gateway for various hypergraph generators/external sources to connect. Phoenix has the capability to utilize diverse hypergraph generators, including HyGen, a very large-scale hypergraph generator developed by ORNL. Phoenix incorporates specific algorithms for efficient data representation by exploiting hidden structures of the hypergraphs. Our experimental results demonstrate Phoenix’s scalable and stable performance on massively parallel computing platforms. Phoenix’s superior performance is due to the merging of high-performance computing with data analytic.

Kurte, Kuldeep↗
DOE OSTI2022

Evaluation of Use Cases and Types of Databases for Hosting Wind Power Data

The goal of the National Wind Power Production Data Dashboard project is to develop a publicly available platform to model, process, and share wind power with uncertainty quantification for the current and future onshore and offshore wind plants across the continental United States. As of 2021, more than 70,000 utility-scale wind turbines have been installed across the United States and this number is expected to grow in the next few years. A large-scale wind power production database is needed for stakeholders (policy makers, operators, and researchers) to access easily for their decision-making. Currently, meeting that need is a challenge. Most wind power operators and system operators focus on regions of their own interest, and the data are usually inaccessible to the public.

17 WIND ENERGY↗
DOE OSTI2021

A Guide to Using GitHub for Developing and Versioning Data Standards and Reporting Formats

Abstract Data standardization combined with descriptive metadata facilitate data reuse, which is the ultimate goal of the Findable, Accessible, Interoperable, and Reusable (FAIR) principles. Community data or metadata standards are increasingly created through an approach that emphasizes collaboration between various stakeholders. Such an approach requires platforms for collaboration on the development process that centers on sharing information and receiving feedback. Our objective in this study was to conduct a systematic review to identify data standards and reporting formats that use version control for developing data standards and to summarize common practices, particularly in earth and environmental sciences. Out of 108 data standards and reporting formats identified in our review, 32 used GitHub as the version control platform, and no other platforms were used. We found no universally accepted methodology for developing and publishing data standards. Many GitHub repositories did not use key features that could help developers to gather user feedback, or to create and revise standards that build on previous work. We provide guidance for community‐driven standard development and associated documentation on GitHub based on a systematic review of existing practices.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Grain Boundary Plane Measurement Using Transmission Electron Microscopy Automated Crystallographic Orientation Mapping for Atom Probe Tomography Specimens

Abstract Grain boundaries are critical in determining the properties of materials, including mechanical stability, conductivity, and corrosion resistance. The specific properties of materials depend not only on the misorientation of the crystals, the three most commonly characterized parameters, but also on the angle of the grain boundary plane between the two crystals, the final two parameters in the five-parameter macroscopic description of the grain boundary. The method presented here allows for the direct measurement of all five parameters of the grain boundary in a transmission electron microscopy specimen of various morphologies. This is especially applicable to atom probe specimens, where only a single-tilt axis is generally available, allowing the crystallographic description to be matched to the detailed chemical data available in the atom probe tomography. This method provides a platform for efficient grain boundary analysis in unique samples, saving operator time and allowing for ease of acquisition and interpretation in comparison with traditional electron diffraction methods.

Materials Science↗
DOE OSTI2020

An Analysis of Abandoned Oil Well Characteristics Affecting Methane Emissions Estimates in the Cherokee Platform in Eastern Oklahoma

Anthropogenic activities increase methane emissions, contributing to greenhouse gas levels and adversely affecting the environment. Abandoned oil and gas wells potentially leak methane, but data are limited. We analyze methane emissions from abandoned wells (n = 179) in the Cherokee Platform in Oklahoma, a previously unaccounted basin, and compare emissions factors (EFs) to those in the Greenhouse Gas Inventory. We compare the contribution of various characteristics to the propensity for leakage. Higher emissions were observed with shallower wells and with unplugged wells. Plugged wells (n = 20) had an average EF of 96 ± 429 g/day and 65 ± 294 g/day for unplugged wells (n = 159). The majority of wells had no detectable leak. We calculated ethane EFs based on geochemical analysis of gas samples, finding higher EFs for unplugged (1.2 ± 5.5 g/day) versus plugged (0.9 ± 4.6 g/day) wells. The data indicate that in addition to the location of abandoned wells, physical characteristics are necessary to consider in estimating methane emissions.

58 GEOSCIENCES↗
DOE OSTI2021

Rahasak—Scalable blockchain architecture for enterprise applications

Blockchain-based decentralized infrastructure has been adapted in various industries to handle the sensitive data in a privacy-preserving manner without trusting third parties. However, integrating state-of-the-art blockchain platforms with the scalable, enterprise-level applications result in several challenges. Current blockchain platforms do not support high transaction throughput, lack high scalability, and cannot provide real-time transaction processing and back-pressure operation handling in high transaction throughput applications(e.g Big data, IoT). In this paper, we propose a novel permissioned blockchain platform “Rahasak” for highly scalable, enterprise applications. Rahasak blockchain adopts the Apache Kafka-based consensus on top of a “Validate-Execute-Group” blockchain architecture to handle realtime transaction execution on the blockchain. The architecture is equipped with a functional programming and actor-based smart contract platform that enables concurrent execution of transactions in the blockchain. Rahasak supports high transaction throughput, high scalability, concurrent transaction execution, data analytics features. Finally, with Rahasak, we make blockchain more scalable, secure, structured and meaningful for further data analytics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Application of a Machine Learning Algorithm in Generating an Evapotranspiration Data Product From Coupled Thermal Infrared and Microwave Satellite Observations

Land surface evapotranspiration (ET) is one of the main energy sources for atmospheric dynamics and a critical component of the local, regional, and global water cycles. Consequently, accurate measurement or estimation of ET is one of the most active topics in hydro-climatology research. With massive and spatially distributed observational data sets of land surface properties and environmental conditions being collected from the ground, airborne or space-borne platforms daily over the past few decades, many research teams have started to use big data science to advance the ET estimation methods. The Geostationary satellite Evapotranspiration and Drought (GET-D) product system was developed at the National Oceanic and Atmospheric Administration (NOAA) in 2016 to generate daily ET and drought maps operationally. The primary inputs of the current GET-D system are the thermal infrared (TIR) observations from NOAA GOES satellite series. Because of the cloud contamination to the TIR observations, the spatial coverage of the daily GET-D ET product has been severely impacted. Based on the most recent advances, we have tested a machine learning algorithm to estimate all-weather land surface temperature (LST) from TIR and microwave (MW) combined satellite observations. With the regression tree machine learning approach, we can combine the high accuracy and high spatial resolution of GOES TIR data with the better spatial coverage of passive microwave observations and LST simulations from a land surface model (LSM). The regression tree model combines the three LST data sources for both clear and cloudy days, which enables the GET-D system to derive an all-weather ET product. This paper reports how the all-weather LST and ET are generated in the upgraded GET-D system and provides an evaluation of these LST and ET estimates with ground measurements. The results demonstrate that the regression tree machine learning method is feasible and effective for generating daily ET under all weather conditions with satisfactory accuracy from the big volume of satellite observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Drone flight visible images, digital elevation maps, and geotiffs, Council, Seward Peninsula, Alaska, USA, July 2017

Remote sensing data collected from Lawrence Berkeley National Laboratory’s (LBNL) unmanned aerial system (UAS) quadcopter platform – Inspire-1 – operated by the Ameriflux Management Project (ameriflux.lbl.gov) Technical Team. The Insprire-1 is a visible imagery UAS platform that simultaneously measures very high spatial resolution optical red/green/blue (RGB) at regular intervals along each flight path. This package includes data from four flight paths over the NGEE Arctic Council Road Site near mile marker 71 in the Seward Peninsula, Alaska in July 2017. Derived image products for each flight include ortho-mosaiced RGB, an RGB-based digital surface model (DSM) using the structure from motion (SfM) technique, and a digital terrain model (DTM). Ancillary aircraft data, flight mission parameters, and general flight conditions are also included. Unprocessed and processed data products are included in this package (processing levels 0-2). This metadata document contains flight campaign, instrument and file metadata, along with a description of data processing levels, data products and file naming scheme.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic) was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy’s Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy’s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗