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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

PDB‐101: Molecular Explorations through Biology and Medicine

PDB‐101 is an online portal for teachers, students, and the general public to promote exploration of the structural biology of proteins and nucleic acids ( pdb101.rcsb.org ). Learning about the diverse shapes and functions of these biological macromolecules helps to understand all aspects of biomedicine and agriculture, from protein synthesis to health and disease to biological energy. Why PDB‐101? Researchers around the world are studying these molecules at the atomic level. These 3D structures are freely available at the Protein Data Bank (PDB), the central storehouse of biomolecular structures. This website builds introductory materials to help beginners get started in the basics of biomolecular structure and function (“101”, as in an entry level course) as well as resources for extended learning. Since 2011, PDB‐101 has been developed by the RCSB PDB , a global resource for the advancement of research and education in biology and medicine. Along with our Worldwide PDB collaborators, RCSB PDB curates, annotates, and makes publicly available the PDB data deposited by scientists around the globe. The RCSB PDB then provides a window to these data through a rich online resource with powerful searching, reporting, and visualization tools for researchers. This information is then streamlined for students and teachers at PDB‐101. Features include the ongoing Molecule of the Month series, educational materials such as paper models, posters, molecular animations, educational curricula and more. The section “Guide to Understanding PDB Data” is a primer for detailed PDB‐specific information: PDB Data, Visualizing Structures, Reading Coordinate Files, scientific methods for structure determination, and more. PDB‐101 also runs annual Video Challenges for high school students. Participants create short videos that tell molecular stories that connect structural biology and medicine. Previous topics have included HIV/AIDS, diabetes, and antimicrobial resistance. The 2022 challenge will focus on Molecular Mechanisms of Cancer. PDB‐101 activities are evaluated using user surveys, feedback from in‐person activities, and website analytics. In 2020, PDB‐101 hosted >850,000 users and >2.6 million page views.

Zardecki, Christine↗
NASA NTRS1990

Phase compatibilities of YBa2Cu3O(9-delta) type structure in quintenary systems Y-Ba-Cu-O-X (impurity)

Electrical transport properties of the oxidic high T(sub c) superconductors are significantly affected by the presence of minor amounts of various elements adventing as impurities, e.g., from the chemical environment during manufacturing. YBa2Cu3O(9-delta) is prone to an extinction of the superconductivity on (partial) substitution of all four elemental components. E.g., Pr (for Y), La (for Ba), Zn (for Cu) or peroxygroup (for O) substituents will alter some of the superconductivity preconditions, like mixed valence state in Cu3O7/O(9-delta) network or structural distortion of the network. Although various pseudoternary chemical equilibrium phase diagrams of the Y(O)-Ba(O)-Cu(O) system now are available, no consensus is generally shown, however, this is partly due to lack of compatible definitions of the equilibrium conditions. Less information is available about the phase compatibilities in the appropriate quaternary phase diagram (including oxygen) and virtually no information exists about any pentenary phase diagrams (including one impurity). Unfortunately, complexity of such systems, stemming both from number of quaternary or pentenary compounds and from visualizing the five-component phase system, limits this presentation to more or less close surroundings of the YBa2Cu3O(9-delta) type phase in appropriate pseudoquaternary or pseudopseudoternary diagrams, involving Y-Ba-Cu and O, O-CO2, alkaline metals, Mg and alkaline earths, and Sc and most of the 3-d and 4-f elements. The systems were investigated by means of x ray diffraction, neutron diffraction and chemical analytical methods on samples prepared by sol-gel technique from citrates. The superconductivity was characterized by measuring the diamagnetic susceptibility by SQUID.

Karen, P.↗
NASA NTRS1991

A Parallel Rendering Algorithm for MIMD Architectures

Applications such as animation and scientific visualization demand high performance rendering of complex three dimensional scenes. To deliver the necessary rendering rates, highly parallel hardware architectures are required. The challenge is then to design algorithms and software which effectively use the hardware parallelism. A rendering algorithm targeted to distributed memory MIMD architectures is described. For maximum performance, the algorithm exploits both object-level and pixel-level parallelism. The behavior of the algorithm is examined both analytically and experimentally. Its performance for large numbers of processors is found to be limited primarily by communication overheads. An experimental implementation for the Intel iPSC/860 shows increasing performance from 1 to 128 processors across a wide range of scene complexities. It is shown that minimal modifications to the algorithm will adapt it for use on shared memory architectures as well.

Crockett, Thomas W.↗
DOE OSTI2018

Integrating diagnostics and model-based optimization

Energy Management and Information Systems are a family of analytics technologies that include energy information systems, fault detection and diagnostics (FDD), and automated system optimization tools. Such systems have the potential to enable buildings to meet energy management goals of reducing total energy consumption and cost. Most current market offerings use data-driven and rule-based analytics. However, the use of physics-based models in the analytics offers potential improvements by providing an accurate estimation of outputs based on representation of the physical principles governing the building system behaviors. This also permits the use of design stage models to inform commissioning and operation. This paper describes the development and testing of a hybrid data-driven and physics model-based operational tool for energy efficiency in central cooling plants. The tool offers FDD functionality, setpoint optimization, and visualization of key performance parameters. It was demonstrated at a university campus in the mixed-humid ASHRAE Climate Zone 4A. Key performance metrics that were analyzed include plant electricity use reduction, plant model calibration, and system economics. Annual simulations indicate the tool can provide electricity savings of greater than 10% for approximately six months of the year, mainly during the winter season when wet bulb temperatures are low, though only 1.38% savings for the entire year. Additionally, over a 4-day period in April, recommended optimal setpoints were implemented, resulting in 17% savings versus metered baseline consumption. With respect to model calibration, the difference between model-predicted and measured parameters was less than 10% for 90% of data points acquired for three of six chillers, and for each ten cooling towers. Finally, the tool users reported that satisfaction with the capabilities was equal to or better than that with the preexisting BAS system.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Towards Interactive, Reproducible Analytics at Scale on HPC Systems

The growth in scientific data volumes has resulted in a need to scale up processing and analysis pipelines using High Performance Computing (HPC) systems. These workflows need interactive, reproducible analytics at scale. The Jupyter platform provides core capabilities for interactivity but was not designed for HPC systems. In this paper, we outline our efforts that bring together core technologies based on the Jupyter Platform to create interactive, reproducible analytics at scale on HPC systems. Our work is grounded in a real world science use case-applying geophysical simulations and inversions for imaging the subsurface. Our core platform addresses three key areas of the scientific analysis workflow-reproducibility, scalability, and interactivity. We describe our implemention of a system, using Binder, Science Capsule, and Dask software. We demonstrate the use of this software to run our use case and interactively visualize real-Time streams of HDF5 data.

containers↗
DOE OSTI2026

GridCoPilot for Thermal Events: An LLM-Based Platform for Power Grid Reliability Analysis

Large Language Models show promise for translating natural language into database queries, but deploying such systems in safety-critical domains requires high reliability. We present an application of GridCoPilot to thermal event analysis (heatwaves and coldwaves) that affect power grid reliability. Our approach uses a LangChain SQL Agent to translate natural language queries into auditable SQL statements, with deterministic visualization routines that parse the structured query results. We introduce structural framing as a design principle, we integrate a NERC-region-level event library with county-level meteorology and decompose the combined data into three relational tables (event metadata, county-level event details, and a county-to-NERC subregion mapping), using prompt-guided joins to direct the model toward correct multi-table queries. For two core analytical patterns (identifying worst events by region and by region-year), the system achieved 100% SQL accuracy across all 16 NERC subregions and both event types (64 queries total). These results validate the approach for target use cases, though performance on diverse natural language formulations requires further investigation. We discuss design trade-offs, failure modes including JSON output truncation, and pathways for extending this approach to other hazard domains.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Immersive Digital Twins and Decision Making

This work focuses on developing and implementing immersive digital twins to support decision-making processes in construction automation and energy simulation analysis. The use of digital twins enables users to explore and interact with virtual replicas of physical systems, providing a unique and valuable perspective for problem-solving. In the context of construction automation, we present two case studies that integrate immersive visualization and worker-machine interaction. In the context of energy simulation analysis using digital twins, we describe our digital twin framework that combines interactive visualization with machine learning techniques to approximate computationally expensive simulations, allowing for faster and more efficient analysis of complex energy systems. Through these research endeavors, we demonstrate the potential of immersive digital twins in decision-making across various domains.

digital twins↗
NASA NTRSDate not supplied

Lunar Science Investigations and Exploration in Celestial Mapping System

Introduction: As NASA expands the mission portfolio on the lunar surface, there is a need for applications with a broad range of analytical and functional capabilities that can be simultaneously deployed onto multiple mobile and desktop platforms to perform in-situ operations and hence enabling extensive Lunar exploration. Celestial Mapping System (CMS) [1,2] is developed to address the need for tools for science investigations, mission planning, operations and support for planetary sciences. Built on top of NASA WorldWind libraries, CMS can be simultaneously deployed onto multiple platforms, has the flexibility to update to the latest imagery and terrain datasets as they are being acquired (in real time) before and/or during the exploration mission and has the potential to enable traverse path planning suited for rovers, EVA and surface mobility units. It can provide critical functionalities such as equipment planning and optimized placement on Lunar surface, line of sight analysis to inform the coverage area for various equipment, powerful measurement tools based on 3D terrain, 3D COLLADA models to represent rovers, humans and equipment, visualization of derived mapping products (e.g. resource maps), and a data engine for hosting new observations that are not available in other contemporary lunar data tools [1]. Visualization of PSRs: The current presentation focuses on the work performed by the authors, to consume a unique dataset of super-enhanced images of the permanently shadowed regions (PSRs) at the lunar poles which were produced by the Hyper-effective nOise Removal U-net Software (HORUS) tool [3]. This tool was developed in direct support of NASA's VIPER and Artemis programs to enhance the extremely low-light images of the interior of PSRs and provide the first-time ability to see within these regions at and discern surface features (i.e. boulders and craters) down to 3 meters in size. We focused on the region near Nobili crater near Lunar south pole, selected site for VIPER mission and stitched several images to create a high-resolution map within one of the PSR of Nobile crater. Line of Sight Analysis and Traverse Planning in PSRs: We have developed an in-built line of sight analysis (LOS) tool in CMS that analyzes the terrain profile and obstructions and provides the visibility of a given terrain for a remote observer. This tool was utilized to perform viewshed analysis to investigate the area inside the PSR, a remote observer such as a rover could see without actually crossing the region. Figure 1 shows the viewshed analysis on the PSR in Nobile region. The yellow pin shows the observer location outside the PSR. The yellow area shows the visible part of PSR. The obstructed area with no visibility for the observer is shown in red. Figure 1: (left) PSR image on top of a high-resolution mosaic of sunlit images of a crater, in Nobile region (right) Viewshed Analysis of the same PSR with observer location shown by yellow pin. This analysis was extended further to set different heights for various observers and then perform the viewshed analysis. Combining the different visibility profiles can help designing improved traverses within the crater. Future plans: Eventually, HORUS datasets will be integrated into CMS as a layer in selected lunar polar regions. Hazard Maps will then be created based on terrain analysis in those regions. This integration will enable multiple scientific and exploration applications, such as designing traverses within PSRs, analyzing potential landing and science mission targets, investigating the meter-scale geomorphology of PSRs, including craters, boulder, surface roughness, mass wasting features and other indications of the presence of water-ice and other volatiles. Acknowledgments: CMS developers team including Kaitlyn J. Dickinson, Tyler A. Lucarz, Tyler W. Choi from USRA, NASA WorldWind Advisory team including Mark Peterson and Guillermo Miguel Del Castillo, HORUS team member V.T. Bickel, Robinson, M., LRO MOON LROC 2 EDR V1.0, LRO-L-LROC-2-EDR-V1.0, NASA Planetary Data System (PDS), 2009. https://doi.org/10.17189/1520643 References: [1] https://celestial.arc.nasa.gov [2] Agrawal et. al. “Celestial Mapping System for Lunar Surface Mapping and Analytics”, Lunar Surface Innovation Consortium, 2021 [3] Bickel V. et al. (2021) Nat Commun 12, 5607

Lunar Mapping↗
NASA NTRS1974

ESIAC: A data products system for ERTS imagery (time-lapse viewing and measuring)

An Electronic Satellite Image Analysis Console (ESIAC) has been developed for visual analysis and objective measurement of earth resources imagery. The system is being employed to process imagery for use by USGS investigators in several different disciplines studying dynamic hydrologic conditions. The ESIAC provides facilities for storing registered image sequences in a magnetic video disc memory for subsequent recall, enhancement, and animated display in monochrome or color. The unique feature of the system is the capability to time-lapse the ERTS imagery and/or analytic displays of the imagery. Data products have included quantitative measurements of distances and areas, brightness profiles, and movie loops of selected themes. The applications of these data products are identified and include such diverse problem areas as measurement of snowfield extent, sediment plumes from estuary dicharge, playa inventory, phreatophyte and other vegetation changes. A comparative ranking of the electronic system in terms of accuracy, cost effectiveness and data output shows it to be a viable means of data analysis.

Evans, W. E.↗
NASA NTRS1983

New test techniques and analytical procedures for understanding the behavior of advanced propellers

Analytical procedures and experimental techniques were developed to improve the capability to design advanced high speed propellers. Some results from the propeller lifting line and lifting surface aerodynamic analysis codes are compared with propeller force data, probe data and laser velocimeter data. In general, the code comparisons with data indicate good qualitative agreement. A rotating propeller force balance demonstrated good accuracy and reduced test time by 50 percent. Results from three propeller flow visualization techniques are shown which illustrate some of the physical phenomena occurring on these propellers.

Stefko, G. L.↗
NASA NTRS1996

Kinematic/Dynamic Characteristics for Visual and Kinesthetic Virtual Environments

Work was carried out on two topics of principal importance to current progress in virtual environment research at NASA Ames and elsewhere. The first topic was directed at maximizing the temporal dynamic response of visually presented Virtual Environments (VEs) through reorganization and optimization of system hardware and software. The final results of this portion of the work was a VE system in the Advanced Display and Spatial Perception Laboratory at NASA Ames capable of updating at 60 Hz (the maximum hardware refresh rate) with latencies approaching 30 msec. In the course of achieving this system performance, specialized hardware and software tools for measurement of VE latency and analytic models correlating update rate and latency for different system configurations were developed. The second area of activity was the preliminary development and analysis of a novel kinematic architecture for three Degree Of Freedom (DOF) haptic interfaces--devices that provide force feedback for manipulative interaction with virtual and remote environments. An invention disclosure was filed on this work and a patent application is being pursued by NASA Ames. Activities in these two areas are expanded upon below.

Bortolussi, Michael R.↗
DOE OSTI2020

Laser-Plasma Spatiotemporal Cyanide Spectroscopy and Applications

This article reports new measurements of laser-induced plasma hypersonic expansion measurements of diatomic molecular cyanide (CN). Focused, high-peak-power 1064 nm Q-switched radiation of the order of 1 TW/cm 2 generated optical breakdown plasma in a cell containing a 1:1 molar gas mixture of N 2 and CO 2 at a fixed pressure of 1.1 × 10 5 Pascal and in a 100 mL/min flow of the mixture. Line-of-sight (LOS) analysis of recorded molecular spectra indicated the outgoing shockwave at expansion speeds well in excess of Mach 5. Spectra of atomic carbon confirmed increased electron density near the shockwave, and, equally, molecular CN spectra revealed higher excitation temperature near the shockwave. Results were consistent with corresponding high-speed shadowgraphs obtained by visualization with an effective shutter speed of 5 nanoseconds. In addition, LOS analysis and the application of integral inversion techniques allow inferences about the spatiotemporal plasma distribution.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Design and implementation of a data analysis pipeline for paper spray ionization mass spectrometry of UO 2 Cl 2

Ambient mass spectrometry is an emerging characterization method for nuclear materials analysis. SRNL has recently acquired a new JEOL AccuTOF™-DART® LP 4G with a Filter Spray™ front end sample injection system, to develop new methods for ambient mass spectrometry of uranium analytes. Preliminary measurements of uranium-containing samples have demonstrated a need to rapidly evaluate large datasets generated with tailored data analysis scripts. To address this gap a data analysis pipeline written in R within the R Studio environment has been developed. The pipeline comprises a series of processing steps where the data are ingested, analyte peaks of interest are extracted, subsequent ratio and normalization calculations are performed, and results are presented in a series of graphical plots. In detail, the data files containing up to several hundred chronological spectra of a single sample in netCDF format were first extracted into RStudio. Then, initial 3D plots of the data were created in respect to the time, intensity, and mass to charge domains. These graphics serve as an initial easily visualized survey of instrument data. Next, a .csv format file containing the names, masses, and abundances of isotopes of interest were ingested into RStudio and were used to automatically collect intensity values at the mass value. Uranium isotope ratios were plotted against gadolinium isotope ratios (gadolinium was used as an internal standard) and assessed for ion beam stability and intensity. The spectra were filtered by applying a threshold intensity for the 158GdO+ mass channel. A Monte Carlo experiment was performed by creating a theoretical distribution of the data in order to determine the ratio of the uranium isotopes. The results show that the developed data analysis pipeline successfully filters high quality data from overall poor quality runs. Our results also support the idea that paper spray ionization mass spectrometry can be used for both detection and quantification of trace amounts of uranium compounds.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2012

Timescale Correlation between Marine Atmospheric Exposure and Accelerated Corrosion Testing - Part 2

Evaluation of metals to predict service life of metal-based structures in corrosive environments has long relied on atmospheric exposure test sites. Traditional accelerated corrosion testing relies on mimicking the exposure conditions, often incorporating salt spray and ultraviolet (UV) radiation, and exposing the metal to continuous or cyclic conditions similar to those of the corrosive environment. Their reliability to correlate to atmospheric exposure test results is often a concern when determining the timescale to which the accelerated tests can be related. Accelerated corrosion testing has yet to be universally accepted as a useful tool in predicting the long-term service life of a metal, despite its ability to rapidly induce corrosion. Although visual and mass loss methods of evaluating corrosion are the standard, and their use is crucial, a method that correlates timescales from accelerated testing to atmospheric exposure would be very valuable. This paper presents work that began with the characterization of the atmospheric environment at the Kennedy Space Center (KSC) Beachside Corrosion Test Site. The chemical changes that occur on low carbon steel, during atmospheric and accelerated corrosion conditions, were investigated using surface chemistry analytical methods. The corrosion rates and behaviors of panels subjected to long-term and accelerated corrosion conditions, involving neutral salt fog and alternating seawater spray, were compared to identify possible timescale correlations between accelerated and long-term corrosion performance. The results, as well as preliminary findings on the correlation investigation, are presented.

Montgomery, Eliza L.↗
NASA NTRS1993

Experimental and analytical study of cryogenic propellant boiloff to develop and verify alternate pressurization concepts for Space Shuttle external tank using a scaled down tank

Self pressurization by propellant boiloff is experimentally studied as an alternate pressurization concept for the Space Shuttle external tank (ET). The experimental setup used in the study is an open flow system which is composed of a variable area test tank and a recovery tank. The vacuum jacketed test tank is geometrically similar to the external LOx tank for the Space Shuttle. It is equipped with instrumentation to measure the temperature and pressure histories within the liquid and vapor, and viewports to accommodate visual observations and Laser-Doppler Anemometry measurements of fluid velocities. A set of experiments were conducted using liquid Nitrogen to determine the temperature stratification in the liquid and vapor, and pressure histories of the vapor during sudden and continuous depressurization for various different boundary and initial conditions. The study also includes the development and calibration of a computer model to simulate the experiments. This model is a one-dimensional, multi-node type which assumes the liquid and the vapor to be under non-equilibrium conditions during the depressurization. It has been tested for a limited number of cases. The preliminary results indicate that the accuracy of the simulations is determined by the accuracy of the heat transfer coefficients for the vapor and the liquid at the interface which are taken to be the calibration parameters in the present model.

Akyuzlu, K. M.↗
DOE OSTI2023

A Bright, Photostable, and Far-Red Dye That Enables Multicolor, Time-Lapse, and Super-Resolution Imaging of Acidic Organelles

Lysosomes have long been known for their acidic lumens and efficient degradation of cellular byproducts. In recent years, it has become clear that their function is far more sophisticated, involving multiple cell signaling pathways and interactions with other organelles. Unfortunately, their acidic interior, fast dynamics, and small size make lysosomes difficult to image with fluorescence microscopy. Here we report a far-red small molecule, HMSiR 680 -Me, that fluoresces only under acidic conditions, causing selective labeling of acidic organelles in live cells. HMSiR 680 -Me can be used alongside other far-red dyes in multicolor imaging experiments and is superior to existing lysosome probes in terms of photostability and maintaining cell health and lysosome motility. We demonstrate that HMSiR 680 -Me is compatible with overnight time-lapse experiments as well as time-lapse super-resolution microscopy with a frame rate of 1.5 fps for at least 1000 frames. HMSiR 680 -Me can also be used alongside silicon rhodamine dyes in a multiplexed super-resolution microscopy experiment to visualize interactions between mitochondria and lysosomes with only a single excitation laser and simultaneous depletion. We envision this dye permitting a more detailed study of the role of lysosomes in dynamic cellular processes and disease.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Quantitative Comparison of Dye and Ultrasmall Fluorescent Silica Core–Shell Nanoparticle Probes for Optical Super-Resolution Imaging of Model Block Copolymer Thin Film Surfaces

In recent years, high-resolution optical imaging in the far field has provided opportunities for alternative approaches to nanocharacterization traditionally dominated by electron and scanning probe microscopies. Here in this paper, we report the optical super-resolution imaging of model block copolymer (BCP) thin film surface nanostructures through stochastic optical reconstruction microscopy (STORM). We compare a set of surface-functionalized fluorescent core–shell silica nanoparticles encapsulating two different organic dyes, Cy3 and Cy5, with the corresponding free dyes in STORM. Using various click-type chemistries, these probes are covalently attached to the surface of specific blocks of BCP thin films, enabling selective block labeling and optical visualization. We demonstrate that the enhanced brightness of these particle probes offers distinct advantages over conventional dye labeling, outperforming one of the best STORM dyes available (Cy5).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Biogenic manganese oxide nanoparticle formation by a multimeric multicopper oxidase Mnx

Bacteria that produce Mn oxides are extraordinarily skilled engineers of nanomaterials that contribute significantly to global biogeochemical cycles. Their enzyme-based reaction mechanisms may be genetically tailored for environmental remediation applications or bioenergy production. However, significant challenges exist for structural characterization of the enzymes responsible for biomineralization. The active Mn oxidase, Mnx, in Bacillus sp. PL-12 is a complex composed of a multicopper oxidase (MCO), MnxG, and two accessory proteins MnxE and MnxF. MnxG shares sequence similarity with other, structurally characterized MCOs. However, MnxE and MnxF have no similarity to any characterized proteins. The ~200 kDa complex has been recalcitrant to crystallization, so its structure is unknown. In this study, native mass spectrometry defines the subunit topology and copper binding of the Mnx complex, while high resolution electron microscopy visualizes the protein and nascent Mn oxide minerals. Furthermore, these data provide critical structural information for conceptualizing how Mnx produces nanoparticulate Mn oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗