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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 OSTI2017

Applying Service-Oriented Architecture to Archiving Data in Control and Monitoring Systems

Current trends in the architecture of software systems focus our attention on building systems using a set of loosely coupled components, each providing a specific functionality known as service. It is not much different in control and monitoring systems, where a functionally distinct sub-system can be identified and independently designed, implemented, deployed and maintained. One functionality that renders itself perfectly to becoming a service is archiving the history of the system state. The design of such a service and our experience of using it are the topic of this article. The service is built with responsibility segregation in mind, therefore, it provides for reducing data processing on the data viewer side and separation of data access and modification operations. The service architecture and the details concerning its data store design are discussed. An implementation of a service client capable of archiving EPICS process variables (PV) and LabVIEW shared variables is presented. Data access tools, including a browser-based data viewer and a mobile viewer, are also presented.

Nogiec, J. M.↗
DOE OSTI2020

The MolSSI QCArchive project: An open-source platform to compute, organize, and share quantum chemistry data

The Molecular Sciences Software Institute's (MolSSI) Quantum Chemistry Archive (QCArchive) project is an umbrella name that covers both a central server hosted by MolSSI for community data and the Python-based software infrastructure that powers automated computation and storage of quantum chemistry (QC) results. The MolSSI-hosted central server provides the computational molecular sciences community a location to freely access tens of millions of QC computations for machine learning, methodology assessment, force-field fitting, and more through a Python interface. Facile, user-friendly mining of the centrally archived quantum chemical data also can be achieved through web applications found at the website. The software infrastructure can be used as a standalone platform to compute, structure, and distribute hundreds of millions of QC computations for individuals or groups of researchers at any scale. The QCArchiveInfrastructure is open-source (BSD-3C), code repositories can be found at github, and releases can be downloaded via PyPI and Conda. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Software > Quantum Chemistry Data Science > Computer Algorithms and Programming

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

PubChemLite Plus Collision Cross Section (CCS) Values for Enhanced Interpretation of Nontarget Environmental Data

Finding relevant chemicals in the vast (known) chemical space is a major challenge for environmental and exposomics studies leveraging nontarget high resolution mass spectrometry (NT-HRMS) methods. Chemical databases now contain hundreds of millions of chemicals, yet many are not relevant. This article details an extensive collaborative, open science effort to provide a dynamic collection of chemicals for environmental, metabolomics, and exposomics research, along with supporting information about their relevance to assist researchers in the interpretation of candidate hits. The PubChemLite for Exposomics collection is compiled from ten annotation categories within PubChem, enhanced with patent, literature and annotation counts, predicted partition coefficient (logP) values, as well as predicted collision cross section (CCS) values using CCSbase. Monthly versions are archived on Zenodo under a CC-BY license, supporting reproducible research, and a new interface has been developed, including historical trends of patent and literature data, for researchers to browse the collection. This article details how PubChemLite can support researchers in environmental and exposomics studies, describes efforts to increase the availability of experimental CCS values, and explores known limitations and potential for future developments. The data and code behind these efforts are openly available.

PubChem↗
DOE OSTI2016

Online mapping and forecasting of epidemics using open-source indicators

Open-source indicators have been proposed as a way of tracking and forecasting disease outbreaks. Some, such are meteorological data, are readily available as reanalysis products. Others, such as those derived from our online behavior (web searches, media article etc.) are gathered easily and are more timely than public health reporting. In this study we investigate how these datastreams may be combined to provide useful epidemiological information. The investigation is performed by building data assimilation systems to track influenza in California and dengue in India. The first does not suffer from incomplete data and was chosen to explore disease modeling needs. The second explores the case when observational data is sparse and disease modeling complexities are beside the point. The two test cases are for opposite ends of the disease tracking spectrum. We find that data assimilation systems that produce disease activity maps can be constructed. Further, being able to combine multiple open-source datastreams is a necessity as any one individually is not very informative. The data assimilation systems have very little in common except that they contain disease models, calibration algorithms and some ability to impute missing data. Thus while the data assimilation systems share the goal for accurate forecasting, they are practically designed to compensate for the shortcomings of the datastreams. Thus we expect them to be disease and location-specific.

42 ENGINEERING↗
DOE OSTI2017

Towards a data-centric research and development roadmap for large-scale science user facilities

© 2017 IEEE. The U.S. Department of Energy (DOE) Office of Science (SC) operates approximately four dozen large-scale science user facilities (SUFs), each of which generates a tremendous amount of scientific data from experiments, observations and computations. To better understand the data needs and challenges, DOE has run many workshops in recent years to identify and articulate data-centric challenges and opportunities at varying resolution, from facility to community scale. Building on those workshop reports, as well as others from elsewhere in the community, this article goes beyond the findings-recommendations typical of workshop reports to consider how one might structure a broad, technology- and data-centric, coordinated research effort that would realize progress towards solutions that address the well documented challenges and opportunities. We focus on identifying practical issues of strategic relevance, along with offering a view about the focal points for a coordinated research and development effort that would target meeting data-centric needs of a broad set of science users and SUFs. These focal points would, by their nature, engage a spectrum of researchers from computer science, computational and experimental sciences, and data science in a coordinated fashion.

Bethel, EW↗
DOE OSTI2015

A checkpoint compression study for high-performance computing systems

As high-performance computing systems continue to increase in size and complexity, higher failure rates and increased overheads for checkpoint/restart (CR) protocols have raised concerns about the practical viability of CR protocols for future systems. Previously, compression has proven to be a viable approach for reducing checkpoint data volumes and, thereby, reducing CR protocol overhead leading to improved application performance. In this article, we further explore compression-based CR optimization by exploring its baseline performance and scaling properties, evaluating whether improved compression algorithms might lead to even better application performance and comparing checkpoint compression against and alongside other software- and hardware-based optimizations. Our results highlights are: (1) compression is a very viable CR optimization; (2) generic, text-based compression algorithms appear to perform near optimally for checkpoint data compression and faster compression algorithms will not lead to better application performance; (3) compression-based optimizations fare well against and alongside other software-based optimizations; and (4) while hardware-based optimizations outperform software-based ones, they are not as cost effective.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Decoder synchronization for deep space missions

The Consultative Committee for Space Data Standards (CCSDS) recommends that space communication links employ a concatenated, error-correcting, channel-coding system in which the inner code is a convolutional (7,1/2) code and the outer code is a (255,223) Reed-Solomon code. The traditional implementation is to perform the node synchronization for the Viterbi decoder and the frame synchronization for the Reed-Solomon decoder as separate, sequential operations. This article discusses a unified synchronization technique that is required for deep space missions that have data rates and signal-to-noise ratios (SNR's) that are extremely low. This technique combines frame synchronization in the bit and symbol domains and traditional accumulated-metric growth techniques to establish a joint frame and node synchronization. A variation on this technique is used for the Galileo spacecraft on its Jupiter-bound mission.

Statman, J. I.↗
NASA NTRS2007

Processing AIRS Scientific Data Through Level 2

The Atmospheric Infrared Spectrometer (AIRS) Science Processing System (SPS) is a collection of computer programs, denoted product generation executives (PGEs), for processing the readings of the AIRS suite of infrared and microwave instruments orbiting the Earth aboard NASA s Aqua spacecraft. AIRS SPS at an earlier stage of development was described in "Initial Processing of Infrared Spectral Data' (NPO-35243), NASA Tech Briefs, Vol. 28, No. 11 (November 2004), page 39. To recapitulate: Starting from level 0 (representing raw AIRS data), the PGEs and their data products are denoted by alphanumeric labels (1A, 1B, and 2) that signify the successive stages of processing. The cited prior article described processing through level 1B (the level-2 PGEs were not yet operational). The level-2 PGEs, which are now operational, receive packages of level-1B geolocated radiance data products and produce such geolocated geophysical atmospheric data products such as temperature and humidity profiles. The process of computing these geophysical data products is denoted "retrieval" and is quite complex. The main steps of the process are denoted microwave-only retrieval, cloud detection and cloud clearing, regression, full retrieval, and rapid transmittance algorithm.

Oliphant, Robert↗
NASA NTRS2016

Hot-Fire Test Results of an Oxygen/RP-2 Multi-Element Oxidizer-Rich Staged-Combustion Integrated Test Article

As part of the Combustion Stability Tool Development project funded by the Air Force Space and Missile Systems Center, the NASA Marshall Space Flight Center was contracted to assemble and hot-fire test a multi-element integrated test article demonstrating combustion characteristics of an oxygen/hydrocarbon propellant oxidizer-rich staged-combustion engine thrust chamber. Such a test article simulates flow through the main injectors of oxygen/kerosene oxidizer-rich staged combustion engines such as the Russian RD-180 or NK-33 engines, or future U.S.-built engine systems such as the Aerojet-Rocketdyne AR-1 engine or the Hydrocarbon Boost program demonstration engine. For the thrust chamber assembly of the test article, several configurations of new main injectors, using relatively conventional gas-centered swirl coaxial injector elements, were designed and fabricated. The design and fabrication of these main injectors are described in a companion paper at this JANNAF meeting. New ablative combustion chambers were fabricated based on hardware previously used at NASA for testing at similar size and pressure. An existing oxygen/RP-1 oxidizer-rich subscale preburner injector from a previous NASA-funded program, along with existing and new inter-connecting hot gas duct hardware, were used to supply the oxidizer-rich combustion products to the oxidizer circuit of the main injector of the thrust chamber. Results from independent hot-fire tests of the preburner injector in a combustion chamber with a sonic throat are described in companion papers at this JANNAF conference. The resulting integrated test article - which includes the preburner, inter-connecting hot gas duct, main injector, and ablative combustion chamber - was assembled at Test Stand 116 at the East Test Area of the NASA Marshall Space Flight Center. The test article was well instrumented with static and dynamic pressure, temperature, and acceleration sensors to allow the collected data to be used for combustion analysis model development. Hot-fire testing was conducted with main combustion chamber pressures ranging from 1400 to 2100 psia, and main combustion chamber mixture ratios ranging from 2.4 to 2.9. Different levels of fuel film cooling injected from the injector face were examined ranging from none to about 12% of the total fuel flow. This paper presents the hot-fire test results of the integrated test article. Combustion performance, stability, thermal, and compatibility characteristics of both the preburner and the thrust chamber are described. Another companion paper at this JANNAF meeting includes additional and more detailed test data regarding the combustion dynamics and stability characteristics.

Hulka, J. R.↗
DOE OSTI2018

Data Mining Critical Infrastructure Systems: Models and Tools

Critical infrastructures (CIs) such as power, water, transportation, and telecommunication are highly complex interacting systems that are vital to national security, economy and public life. They play an important role in several core urban computing challenges. Advances in computing resources and techniques have led to enormous progress in developing intelligent frameworks for analyzing these large heterogeneous systems. In this article, we survey state-of-the-art and foundational work in this upcoming area from a data mining perspective. We discuss basic concepts of CIs, their properties, impacts on them due to natural or human-caused disturbances and different computational methodologies used for modeling and understanding their behavior. We also discuss recent work that specifically deals with two critical sectors of CIs, namely power and transportation systems. Lastly, we also describe several existing tools and methods that are used to facilitate decision making for domain operators, enable efficient and faster disaster response for federal and state agencies and help improve the security and resiliency of these CIs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Refining Jets for CMS Run 3 using Fast Simulation

As the LHC moves into its high-luminosity phase, the CMS experiment must handle more complex data collected at much higher rates. While the Geant4-based simulation application (FullSim) provides highly accurate simulation to complement real data, FullSim’s intensive consumption of computing resources becomes an increasing liability as the rates increase, while faster tools offer an advantage. The fast MC production application (FastSim) delivers a complete simulation with a factor of 10 speedup over FullSim, but introduces inaccuracies in some observables. A specialized refinement method, Fast Perfekt, employs machine learning to improve the accuracy of FastSim. An initial report of this work focused on the refinement of jet flavor tagging observables. This article presents an update on the refinement, focusing on PUPPI jets with Run 3 data-taking conditions. Refinement is extended to include jet transverse momentum as well as its propagation to missing transverse momentum. A gridbased framework and real-time monitoring system have been developed to facilitate optimization and scaling of the refinement to a large number of target variables.

Güngördü, Açelya Deniz [Istanbul Tech. U.]↗
DOE OSTI2023

Minimizing Ground Risk in Cellular-Connected Drone Corridors With mmWave Links

Unmanned Aircraft Systems (UASs) have been receiving significant interest and support from academia, industry, and regulatory bodies over the past decade due to their various use cases. To safely integrate UAS operations into the national airspace, particularly overpopulated regions, the risk posed to ground users, buildings, and vehicles due to unmanned aerial vehicle (UAV) flight should be minimized. This risk can be represented by a numerical metric, which we refer to in this article as the “ground risk.” Many UAS applications also depend on the presence of a reliable wireless communication link between the UAV and a control station for the transmission of UAV position, surveillance video, UAV payload commands, and other mission-related data. Such wireless communication requirements also need to be considered in the design of UAS operations. In this article, we consider both these aspects and study the design of nonintersecting trajectories for UAS operations to minimize ground risk, subject to constraints on the wireless signal strength and geometry of the trajectory, specified in terms of: 1) an enclosing cylinder within which the trajectory must lie and 2) an integrated angular change along the UAV's trajectory. The performance of a computationally expensive optimal algorithm is compared with that of a computationally faster heuristic approach within the dense urban environment of Manhattan, NY, USA. Performance evaluation using ray-tracing simulations shows that the heuristic approach performs close to the optimal algorithm at a reduced computation cost. In conclusion, this research can be utilized to make UAS operations safe and reliable and accelerate their adoption.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging

The Datasets folder contains 3 datasets, corresponding to the datasets mentioned in the article with 670, 2691 and 586 images. The Runs folder has all the runs used. Besides the images itself it also contains tags for each image under `/entry_1/image_1/detector_and_photon_corrected/tags`. The `headings` attribute gives the name of each tag. The `Jonas Strict` tag corresponds to the 670 images, the `Redflamingo` tag to the 2691 images and the `Redflamingo_Ida_subset` tag to the 586 images. The final dataset with 260 images can be obtained from `Datasets/amoc6914-Redflamingo-manual-586.h5` and use the `/model/diameterNM` group to select the 260 images with size closest to 214 nm.

AMO↗
NASA NTRSDate not supplied

Icing Physics Studies Using the 3D SIDRM Test Article: Ice Crystal Icing Analysis

In-flight icing is an important safety issue and is a factor that affects aircraft design and performance. Newer regulations are driving a need for improvements in airframe and engine icing simulation capability. Experimental data is required for the development of icing physics models and simulation validation. This paper presents the analysis of the ice crystal icing data subset from tests conducted in 2022 at the NASA Icing Research Tunnel that studied both supercooled liquid and ice-crystal icing. The test article that was utilized replicated 3D geometrical features of an inter-compressor duct and strut region of a turbofan engine. The surfaces of the Simulated Inter-compressor Duct Research Model (SIDRM) can be heated to simulate the warm surfaces of the turbofan inter-compressor duct. The test article is instrumented with pressure taps, heaters, heat flux gauges, and thermocouples, while a 3D laser scanner, cameras, and a weighing scale to measure ice mass were utilized to characterize the icing behavior. The aim of these tests was to generate ice accretions on the SIDRM test article under well-characterized icing conditions. To that end, ice crystal cloud characterization tests were conducted that provided cloud property values at the test section. The ice crystal accretion tests investigated how different test condition parameters impacted ice accretion size, location, and characteristics (such as physical attributes). A key finding was that a sufficiently high surface heat flux at the leading edge can provide a continuous supply of liquid melt to critical accretion zones downstream, resulting in elevated ice mass accretions. Another key finding was that warmer heater settings in critical accretion zones can suppress ice accretion. These findings are consistent with icing behavior observed in full-scale engine icing tests conducted previously at the NASA Glenn Research Center. Test runs investigating the contribution of liquid melt generated at the leading edge found that the melt can be transported downstream to critical accretion regions in two forms, via runback and splash. The form of melt supplied downstream affected accretion behavior and features. Sharkteeth-shaped ice accretions were generated at certain test conditions, a physical attribute that has been observed in full-scale engine icing tests. The ice accretion data will be used to develop and validate 3D computational engine icing tools, such as GlennICE, that predictively assesses the onset and growth of ice. One of the goals of the sponsoring NASA project is to develop simulation models and tools that can assist in the design and certification of engines for flight in icing conditions in a cost‑effective way.

ice crystal icing↗
NASA NTRSDate not supplied

Icing Physics Studies Using the 3D SIDRM Test Article: Ice Crystal Icing Analysis

In-flight icing is an important safety issue and is a factor that affects aircraft design and performance. Newer regulations are driving a need for improvements in airframe and engine icing simulation capability. Experimental data is required for the development of icing physics models and simulation validation. This paper presents the analysis of the ice crystal icing data subset from tests conducted in 2022 at the NASA Icing Research Tunnel that studied both supercooled liquid and ice-crystal icing. The test article that was utilized replicated 3D geometrical features of an inter-compressor duct and strut region of a turbofan engine. The surfaces of the Simulated Inter-compressor Duct Research Model (SIDRM) can be heated to simulate the warm surfaces of the turbofan inter-compressor duct. The test article is instrumented with pressure taps, heaters, heat flux gauges, and thermocouples, while a 3D laser scanner, cameras, and a weighing scale to measure ice mass were utilized to characterize the icing behavior. The aim of these tests was to generate ice accretions on the SIDRM test article under well-characterized icing conditions. To that end, ice crystal cloud characterization tests were conducted that provided cloud property values at the test section. The ice crystal accretion tests investigated how different test condition parameters impacted ice accretion size, location, and characteristics (such as physical attributes). A key finding was that a sufficiently high surface heat flux at the leading edge can provide a continuous supply of liquid melt to critical accretion zones downstream, resulting in elevated ice mass accretions. Another key finding was that warmer heater settings in critical accretion zones can suppress ice accretion. These findings are consistent with icing behavior observed in full-scale engine icing tests conducted previously at the NASA Glenn Research Center. Test runs investigating the contribution of liquid melt generated at the leading edge found that the melt can be transported downstream to critical accretion regions in two forms, via runback and splash. The form of melt supplied downstream affected accretion behavior and features. Sharkteeth-shaped ice accretions were generated at certain test conditions, a physical attribute that has been observed in full-scale engine icing tests. The ice accretion data will be used to develop and validate 3D computational engine icing tools, such as GlennICE, that predictively assesses the onset and growth of ice. One of the goals of the sponsoring NASA project is to develop simulation models and tools that can assist in the design and certification of engines for flight in icing conditions in a cost‑effective way.

ice crystal icing↗
DOE OSTI2019

The LLNL Program in Nuclear Structure and Nuclear Astrophysics (NSNA) (FY19 Annual Report)

Our major efforts in FY18-19 were devoted to carrying out the second GRETINA/CHICO2 campaign at ANL and the JANUS campaign at MSU/NSCL. Among a total of 13 fielded experiments, three were for Ph.D. thesis projects; two students at MSU and one at UNC at Chapel Hill. Two experiments in the JANUS campaign were led by LLNL; namely, the study of nuclear structure in 72 Se and 76 Se using the sub-barrier Coulomb excitation method. The data analysis was completed for both selenium isotopes and the results were published. The 72 Se results have been submitted to DOE/SC/NP as a science highlight and the article won a prestigious LLNL S&T Excellence in Publication Award in FY19. For experiments fielded in FY17 at TRIUMF/ISAC2 using TIGRESS/Bambino, the data analysis was completed recently and the 21 Mg results were published in FY19. For the results on the mirror nuclei 23 Mg and 23 Na, the manuscript was written and is in circulation among the coauthors. We intend to submit it for publication later this calendar year. These efforts address the isospin symmetry in the sd shell nuclei in terms of the electromagnetic properties measured with the sub-barrier Coulomb excitation method. The proposal to upgrade CHICO2 to CHICOX by resizing the detector chamber to be compatible to GRETA was approved in FY17 with a budget spread over three fiscal years starting FY18. The preliminary design was completed but cannot be finalized until the design for the GRETA holding frame is completed by the LBNL GRETA team in FY19. The fabrication will proceed once the physical compatibility of CHICOX to GRETA holding frame is confirmed. The narrative below focuses on the research efforts for which LLNL led or played a key role. This report includes two sections: 1) Evolution of shell structure and collectivity in neutron-rich nuclei, and 2) Investigating nucleosynthesis and the Standard Model with β decay.

42 ENGINEERING↗