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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 OSTI2023

The Materials Provenance Store

Abstract We present a database resulting from high throughput experimentation, primarily on metal oxide solid state materials. The central relational database, the Materials Provenance Store (MPS), manages the metadata and experimental provenance from acquisition of raw materials, through synthesis, to a broad range of materials characterization techniques. Given the primary research goal of materials discovery of solar fuels materials, many of the characterization experiments involve electrochemistry, along with optical, structural, and compositional characterizations. The MPS is populated with all information required for executing common data queries, which typically do not involve direct query of raw data. The result is a database file that can be distributed to users so that they can independently execute queries and subsequently download the data of interest. We propose this strategy as an approach to manage the highly heterogeneous and distributed data that arises from materials science experiments, as demonstrated by the management of over 30 million experiments run on over 12 million samples in the present MPS release.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Empowering Geothermal Research: The Geothermal Data Repository's New AI Research Assistant: Preprint

The Department of Energy's (DOE) Geothermal Data Repository (GDR) team has integrated a Large Language Model (LLM) with the metadata and supporting documents associated with GDR datasets to create an Artificially Intelligent (AI) research assistant. By leveraging work done to make GDR metadata machine-readable and an open-source LLM integration model called the Energy Language Model, developed by the National Renewable Energy Laboratory, AskGDR serves as a virtual research assistant to GDR users. It provides answers to a variety of user-provided questions using natural language processing and generative machine learning. Users can get answers to questions about specific datasets, including inquiries about the equipment, assumptions and methodologies used in the origination of the data; or more abstract questions, such as the applicability of data to specific research fields. AskGDR improves the discoverability of geothermal data by helping guide users to datasets beyond simple keyword searches. It enables users to find data based on properties of the data, discover information contained within supporting documents, and explore data from projects related to their research objectives.

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DOE OSTI2025

Empowering Geothermal Research: The Geothermal Data Repository's New AI Research Assistant

The Department of Energy's (DOE) Geothermal Data Repository (GDR) team has integrated a Large Language Model (LLM) with the metadata and supporting documents associated with GDR datasets to create an Artificially Intelligent (AI) research assistant. By leveraging work done to make GDR metadata machine-readable and an open-source LLM integration model called the Energy Language Model, developed by the National Renewable Energy Laboratory, AskGDR serves as a virtual research assistant to GDR users. It provides answers to a variety of user-provided questions using natural language processing and generative machine learning. Users can get answers to questions about specific datasets, including inquiries about the equipment, assumptions and methodologies used in the origination of the data; or more abstract questions, such as the applicability of data to specific research fields. AskGDR improves the discoverability of geothermal data by helping guide users to datasets beyond simple keyword searches. It enables users to find data based on properties of the data, discover information contained within supporting documents, and explore data from projects related to their research objectives. This paper will outline the development, integration, output, and efficacy of the AskGDR LLM, including adherence to scientific rigor through improvements designed to increase the accuracy of generated answers, avoid speculation, and provide proper references for all resources used.

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DOE OSTI2025

A terminology for scientific workflow systems

The term “scientific workflow” has evolved over the last two decades to encompass a broad range of compositions of interdependent compute tasks and data movements. It has also become an umbrella term for processing in modern scientific applications. Today, many scientific applications can be considered as workflows made of multiple dependent steps, and hundreds of workflow systems have been developed to manage and run these scientific workflows. However, no turnkey solution has emerged from the field to address the diversity of scientific processes and the infrastructure on which they are supposed to be implemented. Instead, new research problems requiring the execution of scientific workflows with some novel feature often lead to the development of an entirely new workflow system. A direct consequence of this situation is that many existing workflow management systems (WMSs) share some salient features, offer similar functionalities, and can manage the same categories of workflows but at the same time also have some distinct capabilities that can be important for specific applications. This situation makes researchers who develop workflows face the complex question of selecting a WMS. This selection can be driven by technical considerations, to find the system that is the most appropriate for their application and for the computing and storage resources available to them, or other factors such as reputation, adoption, strong community support, or long-term sustainability. To address this problem, a group of WMS developers and practitioners joined their efforts to produce a community-based terminology of WMSs. This paper summarizes their findings and introduces this new terminology to characterize WMSs. Furthermore, this terminology is composed of fives axes: workflow structure and characteristics, composition, orchestration, data management, and metadata capture. Each axis comprises several concepts that capture the prominent features of WMSs. Based on this terminology, this paper also presents a classification of 23 existing WMSs according to the proposed axes and terms.

Community-based terminology↗
DOE OSTI2023

Connecting People to Data: Enabling Data Connected Communities through Enhancements to the Geothermal Data Repository

The Department of Energy's (DOE) Geothermal Data Repository (GDR) has implemented a series of new features designed to connect people to data. These features, which are based on feedback from the GDR user community and surveys of the greater geothermal research community, are designed to improve data quality and empower members of all communities to better engage with geothermal data resources by providing universal access to data and by improving the connections between data providers, subject matter experts, and the communities of people using GDR data. This paper will explore some of the recent enhancements made to the GDR to improve data discoverability, reduce submission time, and result in better quality data submissions. These improvements include the ability for users to save a list of their favorite datasets, search for insight into geothermal datasets or data availability, or sign up to receive notifications of future updates to specific datasets. These improvements aim to enhance the overall user experience of the GDR while further connecting communities to the data they need to inform decisions, advance geothermal research, and develop innovative solutions to local energy problems.

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DOE OSTI2023

Data Archive and Portal (DAP) Platform for Solid Phase Processing Technologies

The scale and speed of data generated by modern scientific experiments have constantly challenged the research community to store, curate, manage and optimally use it to drive scientific discoveries. In this work, we have developed a data archive and portal (DAP) platform including analytics capabilities to collect, curate, and manage data and metadata stream for solid phase processing (SPP) techniques. We successfully hosted around ~347K files of data related to processing parameters, microscopic images, and spectroscopic data related to solid phase processing. The DAP platform for SPP will establish an enduring capability to support machine learning and grow collaboration at the intersection of materials science and data science.

36 MATERIALS SCIENCE↗
DOE OSTI2025

DEDUPKV: A Space-Efficient and High-Performance Key-Value Store via Fine-Grained Deduplication

Log-Structured Merge Tree (LSM-tree) based key-value stores excel in write-intensive environments but suffer from data duplication, consuming up to 49% of storage space in LSM-tree-based key-value store deployments. Traditional solutions like compression and coarse-grained file system-level deduplication introduce overhead or have limited effectiveness. In this study, we propose DedupKV, a fine-grained deduplication framework tailored for LSM-tree, maximizing data reduction efficiency while minimizing write stalls and read overheads. DedupKV features three key innovations: (1) FLUSH-integrated inline deduplication, which removes duplicates during memory-to-storage writes; (2) WAL file-based offline deduplication, repurposing write-ahead logs to avoid double writes; and (3) elastic execution, dynamically balancing inline and offline deduplication based on memory pressure and workload intensity. Additionally, dynamic granularity management reduces deduplication metadata overhead. We implemented these four ideas in RocksDB for the first time and conducted experiments in a Linux environment. Our evaluation shows that WAL file-based offline deduplication and DedupKV outperform BlobDB by 33% and 23%, respectively, in write-heavy workloads, while reducing write amplification by 1.2 ×, 2 ×, and 1.6 × for real KV datasets.

Jamil, Safdar [Sogang University]↗
DOE OSTI2025

Metadata Standards for the NSE: Core Fields

This standard presents a core set of metadata fields required for each managed digital object within the Nuclear Security Enterprise (NSE). Metadata standardization is a critical enabler for two primary objectives: 1) effectively sharing data, documents, and other digital objects between NSE sites; and 2) supporting digital engineering through the digital thread at the object level. Standardization is necessary for both schemas and vocabularies, meaning that both field standards and value standards must be specified. This document serves as a foundational field standard, recommending a core set of fields that should be uniformly required for all managed digital objects within the NSE.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Integration of Rucio Metadata in Belle II

Rucio is a Data Management software that has become a de-facto standard in the HEP community and beyond. It allows the management of large volumes of data over their full lifecycle. The Belle II experiment located at KEK (Japan) recently moved to Rucio to manage its data over the coming decade (O(10) PB/year). In addition to its Data Management functionalities, Rucio also provides support for storing generic metadata. Rucio metadata already provides accurate accounting of the data stored all over the sites serving Belle II. Annotating files with generic metadata opens up possibilities for finer-grained metadata query support. We will first introduce some of the new developments aimed at providing good performance that were done to cover Belle II use-cases like bulk insert methods, metadata inheritance, etc. We will then describe the various tests performed to validate Rucio generic metadata at Belle II scale (O(100M) files), detailing the import and performance tests that were made.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Structuring and storing signals with their metadata: practical considerations

This chapter aims to provide a comprehensive overview on structuring signal data and their metadata, highlighting key considerations for optimal management and storage. Specifically, it focuses on: (a) the relevance of data organization; (b) what data to store and what to keep; and (c) data management methods. Thus, this chapter answers where and how to store metadata efficiently. Chapter 3 explains what is considered metadata. Chapters 5 and 6 present how to collect certain metadata through dedicated sensor validation tests (Chapter 5) or algorithmic analysis (Chapter 6).

Nicolaï, Niels↗
DOE OSTI2023

Empowering Scientific Discovery Through Computing at the Advanced Photon Source

This paper explores the challenges and solutions for managing and processing the vast amount of data generated by the Advanced Photon Source (APS), a synchrotron light source facility producing ultra-bright x-rays for diverse scientific domains. With 68 experimental beamlines covering materials research, biology, and more, the APS serves a wide user base across academia, government, and industry. The ongoing upgrade of the APS storage ring and installation of new instruments will amplify data generation and processing demands. This paper discusses the approach to address these demands through automated data processing using standardized workflows that produce faster scientific insights. The APS Data Management System coordinates various data related tasks to manage storage, data transfer, metadata cataloging, data processing, and interfaces with tools provided by Globus. Through integration with the Argonne Leadership Computing Facility (ALCF), APS users can efficiently access high-performance computing resources. Standardized workflows have led to reduced computational burdens on scientists and greater accessibility of high performance computing resources. We demonstrate how standardization and collaboration enable scientists to rapidly convert raw data into meaningful scientific results, establishing a streamlined path from data collection to analysis and ultimately to publication.

Parraga, Hannah↗
DOE OSTI2024

MAPSTER

MAPSTER Observer is a light-weight software package that can be installed on field deployed computers which automatically manages data and creates metadata packages designed to organize large datasets, making them easy to retrieve and share.

Larson, MatthewD↗
DOE OSTI2025

Open Energy Data Initiative (OEDI) FY22-24 (Final Technical Report)

Final technical report for the Open Energy Data Initiative (OEDI) project covering fiscal years FY22 through FY24. The DOE Open Energy Data Initiative (OEDI) is a partnership between the National Renewable Energy Laboratory (NREL), the U.S. Department of Energy (DOE), and major cloud providers including Amazon, Microsoft, and Google to provide universal access to big data in the cloud. At the heart of OEDI is a centralized repository of high-value energy research datasets aggregated from the U.S. Department of Energy's Program Offices, National Laboratories and other collaborators. It aggregates smaller, domain-specific repositories, allows direct data submissions, and includes support for big data through its energy data lakes. OEDI's data lakes make high-value data universally accessible and help researchers, collaborators and the general public overcome many of the obstacles to accessing and using big data.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

MIQS v0.6

In this research, we propose a novel Metadata Indexing and Querying for Self-describing formats (MIQS), which removes the external DBMS and utilizes in-memory index to achieve efficient metadata searching. MIQS follows the self-contained data management paradigm and provides portable and schema-free metadata indexing and querying functionalities for self-describing file formats. We have evaluated MIQS with the state-of-the-art MongoDB-based metadata indexing solution. MIQS achieved up to 99% time reduction in index construction and up to 172,000X search performance improvement with up to 75% reduction in memory footprint.

Byna, Suren↗
DOE OSTI2020

MIQS v0.6

In this research, we propose a novel Metadata Indexing and Querying for Self-describing formats (MIQS), which removes the external DBMS and utilizes in-memory index to achieve efficient metadata searching. MIQS follows the self-contained data management paradigm and provides portable and schema-free metadata indexing and querying functionalities for self-describing file formats. We have evaluated MIQS with the state-of-the-art MongoDB-based metadata indexing solution. MIQS achieved up to 99% time reduction in index construction and up to 172,000X search performance improvement with up to 75% reduction in memory footprint.

Byna, Suren↗
DOE OSTI2024

Genomes OnLine Database (GOLD) v.10: new features and updates

The Genomes OnLine Database (GOLD; https://gold.jgi.doe.gov/) at the Department of Energy Joint Genome Institute is a comprehensive online metadata repository designed to catalog and manage information related to (meta)genomic sequence projects. GOLD provides a centralized platform where researchers can access a wide array of metadata from its four organization levels namely Study, Organism/Biosample, Sequencing Project and Analysis Project. GOLD continues to serve as a valuable resource and has seen significant growth and expansion since its inception in 1997. With its expanded role as a collaborative platform, it not only actively imports data from other primary repositories like National Center for Biotechnology Information but also supports contributions from researchers worldwide. This collaborative approach has enriched the database with diverse datasets, creating a more integrated resource to enhance scientific insights. As genomic research becomes increasingly integral to various scientific disciplines, more researchers and institutions are turning to GOLD for their metadata needs. To meet this growing demand, GOLD has expanded by adding diverse metadata fields, intuitive features, advanced search capabilities and enhanced data visualization tools, making it easier for users to find and interpret relevant information. This manuscript provides an update and highlights the new features introduced over the last 2 years.

59 BASIC BIOLOGICAL SCIENCES↗