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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

ChemComp: Compiling and Computing with Chemical Reaction Networks

The exponential growth in computing demands driven by scientific computing, data analytics, and artificial intelligence is pushing conventional CMOS-based high-performance computing systems to their physical and energy efficiency limits. As we approach the era of post-exascale computing, disruptive approaches are necessary to overcome these barriers and achieve substantial gains in energy efficiency. Analog and hybrid digital-analog computing systems have emerged as promising alternatives, offering the potential for orders-of-magnitude improvements in efficiency. Among these, biochemical computing stands out as a novel paradigm capable of leveraging the natural efficiency of chemical reactions, which have shown promise in solving optimization problems by converging to steady states. By scaling up reaction networks or reaction vessel sizes, biochemical systems present an opportunity to meet the high-performance demands of modern computing tasks. Despite their promise, significant theoretical and practical challenges remain, particularly in formulating and mapping computational problems to chemical reaction networks (CRNs) and designing viable biochemical computing devices. This paper addresses these challenges by introducing new ideas to ChemComp, a compilation and emulation framework for chemical computation. This work describes the mechanisms through which solutions to ordinary differential equations (ODEs) that can be represented as CRN systems can be achieved. Furthermore, we explain the design principles of an ODE dialect implemented as a multi-level intermediate representation (MLIR) compiler extension that will be coupled with existing infrastructure. We demonstrate the potential of our framework through a case study emulating a simplified chemical reservoir computing device. This work establishes foundational tools and methodologies necessary to harness the computational power of chemistry, paving the way for the development of energy-efficient, high-performance computing systems tailored to contemporary and future computational needs.

Bohm Agostini, Nicolas↗
DOE OSTI2020

ROBIN (RuciO/BIgData Express/SENSE) A Next-Generation High-Performance Data Service Platform

Increasingly, scientific research discoverydepends on the analysis of extremely large amounts of data. Thisdata is gathered through very large scientific instruments, verylarge numbers of small devices, and mid-scale instruments.These devices generate exponentially increasing volumes of data.Such data is often obtained, analyzed, stored, visualized, andtransferred at and among sites world-wide by largecollaborations of science communities. Managing and movingextremely large volumes of data across today’s networks is aspecial multidimensional challenge. Also, existing datamanagement and movement services and tools often areinadequate to address all specific requirements. This paperdescribes the various components of this challenge and howthose issues can be addressed by ROBIN, a uniquecomprehensive set of integrated services designed specificallyfor managing and moving extremely large amounts of data overlong distances, e.g., thousands of miles around the globe. Thispaper also describes the results of initial experiments using thatset of integrated services.

Wu, Wenji↗
NASA NTRS1998

Fluids and Combustion Facility-Combustion Integrated Rack

This paper describes in detail the concept of performing Combustion microgravity experiments in the Combustion Integrated Rack (CIR) of the Fluids and Combustion Facility (FCF) on the International Space Station (ISS). The extended duration microgravity environment of the ISS will enable microgravity research to enter into a new era of increased scientific and technological data return. The FCF is designed to increase the amount and quality of scientific and technological data and decrease the development cost of an individual experiment relative to the era of Space Shuttle experiments. This paper also describes how the FCF will cost effectively accommodate these experiments.

Francisco, David R.↗
DOE OSTI2026

Scientific computing

Our research generates a vast amount of data that scientists must gather, store, analyze and interpret. These activities require expertise and the right tools. Fermilab is home to one of the largest tape robotic systems available today, providing more than 800 petabytes of storage capability. The lab is growing the tape facilities to meet expected demands of over 1,000 petabytes of additional data per year by the end of the decade. Fermilab also has the technology and computing power to efficiently pr ocess these data to facilitate scientific discoveries. Our computation al experts work closely with experimenters and the scientific commu - nity at large to provide and facilitate the use of the cutting-edge computing tools necessary for these discoveries.

Fermilab, Fermilab↗
NASA NTRS2013

Scalable Adaptive Graphics Environment (SAGE) Software for the Visualization of Large Data Sets on a Video Wall

The use of collaborative scientific visualization systems for the analysis, visualization, and sharing of "big data" available from new high resolution remote sensing satellite sensors or four‐dimensional numerical model simulations is propelling the wider adoption of ultra‐resolution tiled display walls interconnected by high speed networks. These systems require a globally connected and well‐integrated operating environment that provides persistent visualization and collaboration services. This abstract and subsequent presentation describes a new collaborative visualization system installed for NASA's Shortterm Prediction Research and Transition (SPoRT) program at Marshall Space Flight Center and its use for Earth science applications. The system consists of a 3 x 4 array of 1920 x 1080 pixel thin bezel video monitors mounted on a wall in a scientific collaboration lab. The monitors are physically and virtually integrated into a 14' x 7' for video display. The display of scientific data on the video wall is controlled by a single Alienware Aurora PC with a 2nd Generation Intel Core 4.1 GHz processor, 32 GB memory, and an AMD Fire Pro W600 video card with 6 mini display port connections. Six mini display‐to‐dual DVI cables are used to connect the 12 individual video monitors. The open source Scalable Adaptive Graphics Environment (SAGE) windowing and media control framework, running on top of the Ubuntu 12 Linux operating system, allows several users to simultaneously control the display and storage of high resolution still and moving graphics in a variety of formats, on tiled display walls of any size. The Ubuntu operating system supports the open source Scalable Adaptive Graphics Environment (SAGE) software which provides a common environment, or framework, enabling its users to access, display and share a variety of data‐intensive information. This information can be digital‐cinema animations, high‐resolution images, high‐definition video‐teleconferences, presentation slides, documents, spreadsheets or laptop screens. SAGE is cross‐platform, community‐driven, open‐source visualization and collaboration middleware that utilizes shared national and international cyberinfrastructure for the advancement of scientific research and education.

Jedlovec, Gary↗
NASA NTRS1995

A visiting scientist program for the burst and transient source experiment

During this project, Universities Space Research Association provided program management and the administration for overseeing the performance of the total contractual effort. The program director and administrative staff provided the expertise and experience needed to efficiently manage the program.USRA provided a program coordinator and v visiting scientists to perform scientific research with Burst and Transient Source Experiment (BATSE) data. This research was associated with the primary scientific objectives of BATSE and with the various BATSE collaborations which were formed in response to the Compton Gamma Ray Observatory Guest Investigator Program. USRA provided administration for workshops, colloquia, the preparation of scientific documentation, etc. and also provided flexible program support in order to meet the on-going needs of MSFC's BATSE program. USRA performed tasks associated with the recovery, archiving, and processing of scientific data from BATSE. A bibliography of research in the astrophysics discipline is attached as Appendix 1. Visiting Scientists and Research Associates performed activities on this project, and their technical reports are attached as Appendix 2.

Kerr, Frank J.↗
NASA NTRS2003

A Step Beyond Simple Keyword Searches: Services Enabled by a Full Content Digital Journal Archive

The problems of managing and searching large archives of scientific journal articles can potentially be addressed through data mining and statistical techniques matured primarily for quantitative scientific data analysis. A journal paper could be represented by a multivariate descriptor, e.g., the occurrence counts of a number key technical terms or phrases (keywords), perhaps derived from a controlled vocabulary ( e . g . , the American Meteorological Society's Glossary of Meteorology) or bootstrapped from the journal archive itself. With this technique, conventional statistical classification tools can be leveraged to address challenges faced by both scientists and professional societies in knowledge management. For example, cluster analyses can be used to find bundles of "most-related" papers, and address the issue of journal bifurcation (when is a new journal necessary, and what topics should it encompass). Similarly, neural networks can be trained to predict the optimal journal (within a society's collection) in which a newly submitted paper should be published. Comparable techniques could enable very powerful end-user tools for journal searches, all premised on the view of a paper as a data point in a multidimensional descriptor space, e.g.: "find papers most similar to the one I am reading", "build a personalized subscription service, based on the content of the papers I am interested in, rather than preselected keywords", "find suitable reviewers, based on the content of their own published works", etc. Such services may represent the next "quantum leap" beyond the rudimentary search interfaces currently provided to end-users, as well as a compelling value-added component needed to bridge the print-to-digital-medium gap, and help stabilize professional societies' revenue stream during the print-to-digital transition.

Boccippio, Dennis J.↗
DOE OSTI2025

LinkML: an open data modeling framework

Background Scientific research relies on well-structured, standardized data; however, much of it is stored in formats such as free-text lab notebooks, nonstandardized spreadsheets, or data repositories. This lack of structure challenges interoperability, making data integration, validation, and reuse difficult. Findings LinkML (Linked Data Modeling Language) is an open framework that simplifies the process of authoring, validating, and sharing data. LinkML can describe a range of data structures, from flat, list-based models to complex, interrelated, and normalized models that utilize polymorphism and compound inheritance. It offers an approachable syntax that is not tied to any one technical architecture and can be integrated seamlessly with many existing frameworks. The LinkML syntax provides a standard way to describe schemas, classes, and relationships, allowing modelers to build well-defined, stable, and optionally ontology-aligned data structures. Once defined, LinkML schemas may be imported into other LinkML schemas. These key features make LinkML an accessible platform for interdisciplinary collaboration and a reliable way to define and share data semantics. Conclusions LinkML helps reduce heterogeneity, complexity, and the proliferation of single-use data models while simultaneously enabling compliance with FAIR (Findable, Accessible, Interoperable, and Reusable) data standards. LinkML has seen increasing adoption in various fields, including biology, chemistry, biomedicine, microbiome research, finance, electrical engineering, transportation, and commercial software development. In short, LinkML makes implicit models explicitly computable and allows data to be standardized at their origin. LinkML documentation and code are available at https://linkml.io/.

AI-ready data↗
NASA NTRS2001

Discovering Communicable Scientific Knowledge from Spatio-Temporal Data

This paper describes how we used regression rules to improve upon a result previously published in the Earth science literature. In such a scientific application of machine learning, it is crucially important for the learned models to be understandable and communicable. We recount how we selected a learning algorithm to maximize communicability, and then describe two visualization techniques that we developed to aid in understanding the model by exploiting the spatial nature of the data. We also report how evaluating the learned models across time let us discover an error in the data.

Schwabacher, Mark↗
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↗
NASA NTRS1998

SOHO Ultraviolet Coronagraph Spectrometer (UVCS) Mission Operations and Data Analysis

The scientific goal of UVCS is to obtain detailed empirical descriptions of the extended solar corona as it evolves from a period of minimum activity to maximum and to use these descriptions to identify and understand the physical processes responsible for coronal heating, solar wind acceleration, coronal mass ejections (CME's), and the phenomena that establish the plasma properties of the solar wind as measured by the CELIAS/SOHO experiment. We must observe a wide range of conditions (e.g., heating rate, impulsive mass ejections, magnetic field opening) in order to choose among competing theoretical explanations of the observed coronal structures and dynamics. During the first year of scientific observations (1 April 1996 through 31 March 1997), the LTVCS made the first extensive ultraviolet spectroscopic observations above the base of the solar corona. Those observations revealed extremely high most probable speeds along the line of sight for O(5+) in polar coronal holes above 2 solar radii from sun center and smaller such speeds for H(0) and protons. Doppler dimming and pumping diagnostics indicated that O(5+) and H(0) I reached supersonic outflow velocities within 2 solar radii. The observations appeared to be consistent with O95+) heating and direct momentum transfer by high frequency MHD waves through ion cyclotron resonance. Equatorial streamers were found to appear much different when observed in O VI, Fe XII and Mg X than when observed in H I Lyman-alpha or visible light. This led G. Noci to suggest that the elemental abundance of O, Fe, and Mg are lower in the dark center region of the O VI streamer image than it is in the brighter outer legs of the streamer. The O VI line ratio indicated a much smaller outflow speed in streamers than in the surrounding coronal holes. Spectroscopic observations of CME's in June and December 1996 showed large Doppler shifts indicating macroscopic flows of up to 200 km/s transverse to the apparent motion of the CME. The December event displayed factor of 500 intensity increases in H I Lyman lines and bright emissions in cool ion lines like C III 977 A indicating that the origin of some of the gas was a prominence. UVCS also observed two comets, several stars and interplanetary hydrogen. In the current reporting period, the initial results were published and detailed analyses including self consistent empirical models were developed. The research results were reported, published or submitted/accepted for publication. New observations were made to uncover additional information about the surprising results of the first year and other new observations revealed more surprises. A UVCS Tutorial was developed to familiarize potential users of UVCS data with the data products, analysis techniques and coronal models needed to analyze the data.

Kohl, John L.↗
NASA NTRS1988

Data Catalog Series for Space Science and Applications Flight Missions: Descriptions of Data Sets from Geostationary and High-Altitude Scientific Spacecraft and Investigations - Volume 2B

The main purpose of the data catalog series is to provide descriptive references to data generated by space science flight missions. The data sets described include all of the actual holdings of the Space Science Data Center (NSSDC), all data sets for which direct contact information is available, and some data collections held and serviced by foreign investigators, NASA and other U.S. government agencies. This volume contains narrative descriptions of data sets from geostationary and high altitude scientific spacecraft and investigations. The following spacecraft series are included: Mariner, Pioneer, Pioneer Venus, Venera, Viking, Voyager, and Helios. Separate indexes to the planetary and interplanetary missions are also provided.

Schofield, Norman J.↗
DOE OSTI2022

PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology

PDBx/mmCIF, Protein Data Bank Exchange (PDBx) macromolecular Crystallographic Information Framework (mmCIF), has become the data standard for structural biology. With its early roots in the domain of small-molecule crystallography, PDBx/mmCIF provides an extensible data representation that is used for deposition, archiving, remediation, and public dissemination of experimentally determined three-dimensional (3D) structures of biological macromolecules by the Worldwide Protein Data Bank (wwPDB, wwpdb.org). Extensions of PDBx/mmCIF are similarly used for computed structure models by ModelArchive (modelarchive.org), integrative/hybrid structures by PDB-Dev (pdb-dev.wwpdb.org), small angle scattering data by Small Angle Scattering Biological Data Bank SASBDB (sasbdb.org), and for models computed generated with the AlphaFold 2.0 deep learning software suite (alphafold.ebi.ac.uk). Community-driven development of PDBx/mmCIF spans three decades, involving contributions from researchers, software and methods developers in structural sciences, data repository providers, scientific publishers, and professional societies. Having a semantically rich and extensible data framework for representing a wide range of structural biology experimental and computational results, combined with expertly curated 3D biostructure data sets in public repositories, accelerates the pace of scientific discovery. Herein, we describe the architecture of the PDBx/mmCIF data standard, tools used to maintain representations of the data standard, governance, and processes by which data content standards are extended, plus community tools/software libraries available for processing and checking the integrity of PDBx/mmCIF data. Use cases exemplify how the members of the Worldwide Protein Data Bank have used PDBx/mmCIF as the foundation for its pipeline for delivering Findable, Accessible, Interoperable, and Reusable (FAIR) data to many millions of users worldwide.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1988

Plasma diagnostics package. Volume 2: Spacelab 2 section. Part B: Thesis projects

This volume (2), which consists of two parts (A and B), of the Plasma Diagnostics Package (PDP) Final Science Report contains a summary of all of the data reduction and scientific analyses which were performed using PDP data obtained on STS-51F as a part of the Spacelab 2 (SL-2) payload. This work was performed during the period of launch, July 29, 1985, through June 30, 1988. During this period the primary data reduction effort consisted of processing summary plots of the data received by 12 of the 14 instruments located on the PDP and submitting these data to the National Space Science Data Center (NSSDC). Three Master's and three Ph.D. theses were written using PDP instrumentation data. These theses are listed in Volume 2, Part B.

Pickett, Jolene S.↗
NASA NTRS1993

NASA access mechanism: Graphical user interface information retrieval system

Access to online information sources of aerospace, scientific, and engineering data, a mission focus for NASA's Scientific and Technical Information Program, has always been limited to factors such as telecommunications, query language syntax, lack of standardization in the information, and the lack of adequate tools to assist in searching. Today, the NASA STI Program's NASA Access Mechanism (NAM) prototype offers a solution to these problems by providing the user with a set of tools that provide a graphical interface to remote, heterogeneous, and distributed information in a manner adaptable to both casual and expert users. Additionally, the NAM provides access to many Internet-based services such as Electronic Mail, the Wide Area Information Servers system, Peer Locating tools, and electronic bulletin boards.

Hunter, Judy↗