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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

A data structure and algorithm for fault diagnosis

Results of preliminary research on the design of a knowledge based fault diagnosis system for use with on-orbit spacecraft such as the Hubble Space Telescope are presented. A candidate data structure and associated search algorithm from which the knowledge based system can evolve is discussed. This algorithmic approach will then be examined in view of its inability to diagnose certain common faults. From that critique, a design for the corresponding knowledge based system will be given.

Bosworth, Edward L., Jr.↗
NASA NTRS1989

Six-degree-of-freedom aircraft simulation with mixed-data structure using the applied dynamics simulation language, ADSIM

A realistic simulation of an aircraft in the flight using the AD 100 digital computer is presented. The implementation of three model features is specifically discussed: (1) a large aerodynamic data base (130,00 function values) which is evaluated using function interpolation to obtain the aerodynamic coefficients; (2) an option to trim the aircraft in longitudinal flight; and (3) a flight control system which includes a digital controller. Since the model includes a digital controller the simulation implements not only continuous time equations but also discrete time equations, thus the model has a mixed-data structure.

Savaglio, Clare↗
DOE OSTI2018

On the relationship between the structural and volumetric properties of solvated metal ions in O -donor solvents using new structural data in amide solvents

The structures of the N , N -dimethylformamide (dmf), N , N -dimethylacetamide (dma), and N , N -dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that equilibria between different coordination numbers and geometries exist in these systems. Structural information of the alkali, alkaline earth, and selected transition metal and lanthanoid( III ) ions, and the halide ions in water, methanol, ethanol, dimethylsulfoxide, formamide, dmf and dma has been combined with previously reported standard partial molar volumes, V 0 . The ionic radii and charge densities (charge/ionic volume), and corresponding V 0 values have been used to gain information on the relationship between structural and volumetric properties. For the structure-breaking ions, i.e. the alkali metal and halide ions, there is an almost linear relationship between the ionic radius and V 0 . On the other hand, for the structure-making ions, here the alkaline earth, transition metal and lanthanoid( III ) ions, a linear relationship is observed between the charge density and V 0 . Solvents with a well-defined bulk structure through hydrogen bonding, specifically, water, methanol and ethanol, will be more contracted through solvation than aprotic solvents, as the space between the solvent molecules is lost as a result of the hydrogen bonding. In this respect, methanol stands out as the most compressed solvent participating in solvation compared to its bulk structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The growth of density perturbations in the last ~10 billion years from tomographic large-scale structure data

In order to investigate the origin of the ongoing tension between the amplitude of matter fluctuations measured by weak lensing experiments at low redshifts and the value inferred from the cosmic microwave background anisotropies, we reconstruct the evolution of this amplitude from z ~ 2 using existing large-scale structure data. To do so, we decouple the linear growth of density inhomogeneities from the background expansion, and constrain its redshift dependence making use of a combination of 6 different data sets, including cosmic shear, galaxy clustering and CMB lensing. We analyze these data under a consistent harmonic-space angular power spectrum-based pipeline. We show that current data constrain the amplitude of fluctuations mostly in the range 0.2 < z < 0.7, where it is lower than predicted by . This difference is mostly driven by current cosmic shear data, although the growth histories reconstructed from different data combinations are consistent with each other, and we find no evidence of systematic deviations in any particular experiment. In spite of the tension with , the data are well-described by the model, albeit with a lower value of S 8 ≡ σ 8 (Ω m /0.3) 0.5 . As part of our analysis, we find constraints on this parameter of S 8 = 0.7781 ± 0.0094 (68% confidence level), reaching almost percent-level errors comparable with CMB measurements, and 3.4σ away from the value found by .

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2020

DGEN Aeropropulsion Research Turbofan Source-Diagnostic Test: Experimental Setup and Acoustic-Data Structure

The experimental setup of, and available data from a recent core/combustor-noise source-diagnostic test utilizing a small turbofan engine are described. The 2019 test campaign continued the investigation of the core/combustor-noise component of aircraft-propulsor noise begun in an earlier baseline test, but with a more extensive acoustic-instrumentation layout. The purpose of both tests was to better understand the impact on civilian-transport airport-community noise from turbofan-combustor sources and thereby to lay the foundation for improved noise-prediction methods and noise-mitigation techniques. Simultaneous high-data-rate acoustic measurements were obtained using a circumferential sensor array at the core nozzle exit in conjunction with sideline and farfield microphone arrays. The test matrix contained engine operational points from engine idle to maximum power and was repeated for different circumferential and sideline array configurations, as well as for redundancy. The extensive data set (up to 93 channels of data and various configurations) allows the application of advanced source-separation and phased-array methods to elucidate not only the core-noise structure, but also the propagation characteristics of other propulsion noise sources. The present report provides a detailed description of the different test points, their associated instrumentation layouts, and the structure of the acquired data set. Results from various data analyses are reported separately.

Aeroacoustics↗
NASA NTRS1985

Thematic Mapper Spectral Dimensionality and Data Structure

A simulated LANDSAT 4 TM and MSS data set, representing three crops over three growing seasons and a wide variety of soil types, was used to evaluate the structure of TM data and to compare its characteristics to those of MSS data. TM bands 2, 3, and 4, transformed to tasseled cap-like coordinates, provide an equivalent data space to MSS tasseled cap data, with greater dynamic range and no apparent loss of information resulting from the exclusion of the 0.9 to 1.1 micron region. Data from the six reflective TM bands (excluding the thermal band) primarily occupy two planes and a transition zone between them. The plane of vegetation is comparable to the MSS tasseled cap plane, while the plane of soils and transition zone provide a new dimension of information unavailable from the MSS. This added dimension offers promise of improved ability to determine the relative mix of vegetation and soil in the sensor field of view and to estimate soil moisture status. The improvement in spectral characteristics of the TM over the MSS, not to mention the greater spatial resolution, have resulted in a significant increase in the information content of the data.

Crist, E. P.↗
DOE OSTI2025

Enriched immersed finite element and isogeometric analysis: algorithms and data structures

Immersed finite element methods provide a convenient analysis framework for problems involving geometrically complex domains, such as those found in topology optimization and microstructures for engineered materials. However, their implementation remains a major challenge due to, among other things, the need to apply nontrivial stabilization schemes and generate custom quadrature rules. This article introduces the robust and computationally efficient algorithms and data structures comprising an immersed finite element preprocessing framework. The input to the preprocessor consists of a background mesh and one or more geometries defined on its domain. The output is structured into groups of elements with custom quadrature rules formatted such that common finite element assembly routines may be used without or with only minimal modifications. The key to the preprocessing framework is the construction of material topology information, concurrently with the generation of a quadrature rule, which is then used to perform enrichment and generate stabilization rules. While the algorithmic framework applies to a wide range of immersed finite element methods using different types of meshes, integration, and stabilization schemes, the preprocessor is presented within the context of the extended isogeometric analysis. This method utilizes a structured B-spline mesh, a generalized Heaviside enrichment strategy considering the material layout within individual basis functions’ supports, and face-oriented ghost stabilization. Using a set of examples, the effectiveness of the enrichment and stabilization strategies is demonstrated alongside the preprocessor’s robustness in geometric edge cases. Additionally, the performance and parallel scalability of the implementation are evaluated.

Computer implementation↗
DOE OSTI2016

On the elimination of the electronic structure bottleneck in on the fly nonadiabatic dynamics for small to moderate sized (10-15 atom) molecules using fit diabatic representations based solely on ab initio electronic structure data: The photodissociation of phenol

In this work, we demonstrate that for moderate sized systems, here a system with 13 atoms, global coupled potential energy surfaces defined for several electronic states over a wide energy range and for distinct regions of nuclear coordinate space characterized by distinct electron configurations, can be constructed with precise energetics and an excellent description of non-adiabatic interactions in all regions. This is accomplished using a recently reported algorithm for constructing quasi-diabatic representations, H{sup d}, of adiabatic electronic states coupled by conical intersections. In this work, the algorithm is used to construct an H{sup d} to describe the photodissociation of phenol from its first and second excited electronic states. The representation treats all 33 internal degrees of freedom in an even handed manner. The ab initio adiabatic electronic structure data used to construct the fit are obtained exclusively from multireference configuration interaction with single and double excitation wave functions comprised of 88 × 10{sup 6} configuration state functions, at geometries determined by quasi-classical trajectories. Since the algorithm uses energy gradients and derivative couplings in addition to electronic energies to construct H{sup d}, data at only 7379 nuclear configurations are required to construct a representation, which describes all nuclear configurations involved in H atom photodissociation to produce the phenoxyl radical in its ground or first excited electronic state, with a mean unsigned energy error of 202.9 cm{sup −1} for electronic energies <60 000 cm{sup −1}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

cuTS: Scaling Subgraph Isomorphism on Distributed Multi-GPUSystems Using Trie Based Data Structure

Subgraph isomorphism is a pattern-matching algorithm widely used in many domains such as chem-informatics, bioinformatics, databases, and social network analysis. It is computationally expensive and is a proven NP-hard problem. The massive parallelism offered by the GPU hardware is well suited for solving the subgraph isomorphism. However, current GPU implementations are far from the achievable performance. Moreover, the enormous memory requirement of current approaches limits the problem size that can be handled. This work analyzes the fundamental challenges associated with processing the subgraph isomorphism on GPUs and develops an efficient GPU hardware-aware implementation. We also develop a new GPU-friendly trie-based data structure to drastically reduce the intermediate storage space requirement. Hence, our approach runs larger benchmarks than the competitors. We also develop the first distributed sub-graph isomorphism algorithm for GPUs. Our experimental evaluation section demonstrates the efficacy of our approach by comparing the execution time and number of cases that we can handle against the state-of-the-art GPU implementations.

Xiang, Lizhi↗
NASA NTRS1989

Comparison of two matrix data structures for advanced CSM testbed applications

The first section describes data storage schemes presently used by the Computational Structural Mechanics (CSM) testbed sparse matrix facilities and similar skyline (profile) matrix facilities. The second section contains a discussion of certain features required for the implementation of particular advanced CSM algorithms, and how these features might be incorporated into the data storage schemes described previously. The third section presents recommendations, based on the discussions of the prior sections, for directing future CSM testbed development to provide necessary matrix facilities for advanced algorithm implementation and use. The objective is to lend insight into the matrix structures discussed and to help explain the process of evaluating alternative matrix data structures and utilities for subsequent use in the CSM testbed.

Regelbrugge, M. E.↗
DOE OSTI2019

PDB Structure Data Impacted Discovery and Development of Recently FDA‐Approved Drugs

Protein Data Bank (PDB) was established in 1971 as the 1 st open access digital data resource in biology and medicine. Today, the PDB currently houses >145,000 atomic level biomolecular structures determined by crystallography, NMR spectroscopy, and 3D electron microscopy. Managed by the Worldwide Protein Data Bank partnership (wwPDB; wwpdb.org ), PDB data are used by researchers and educators to understand the role molecules play in health and disease of humans, animals, and plants, food and energy production, and other topics of concern to global prosperity and sustainability. RCSB PDB operates the US data center for the global PDB archive, and makes PDB data available at no charge to all data consumers without limitations on usage. During calendar 2017, >679 million structure data files were downloaded from the PDB by Data Consumers working worldwide. RCSB PDB served >1 million RCSB.org users worldwide with PDB data integrated with ~40 external data resources providing rich structural views of fundamental biology, biomedicine, and energy sciences, and supported >600,000 PDB101.rcsb.org educational website users around the globe. RCSB PDB examined the impact of PDB archiving and open access availability on the discovery of 210 new molecular entities (NMEs or drugs) approved by the United States (US) Food and Drug Administration (FDA) between 2010 and 2016. Biological targets for 90% of NMEs are known. Approximately 6,000 PDB structures containing one of these drug targets and/or one approved NME were identified, providing 85% coverage of known targets and 88% coverage of 2010–2016 approved NMEs. Coverage was comparable across all therapeutic areas. Most structures were both published and freely accessible from the PDB long before the NMEs were approved. Additional analyses revealed these PDB structures were cited by more than 200,000 PubMed‐indexed publications reporting pre‐competitive research on the would‐be drug targets. PDB structures and citing publications contributed substantially to understanding of the target biology, and led to biopharmaceutical company investment in successful drug discovery/development programs. Overall, access to PDB data contribute to patent applications, drug discovery and development, publication of scientific studies, innovations that can lead to new product development and company formation, and STEM education. Support or Funding Information RCSB PDB is funded by a grant (DBI‐1338415) from the National Science Foundation , the National Institutes of Health , and the US Department of Energy . This abstract is from the Experimental Biology 2019 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

Zardecki, Christine↗
NASA NTRS2021

Mapping Boreal Forest Spruce Beetle Health Status at the Individual Crown Scale Using Fused Spectral and Structural Data

The frequency and severity of spruce bark beetle outbreaks are increasing in boreal forests leading to widespread tree mortality and fuel conditions promoting extreme wildfire. Detection of beetle infestation is a forest health monitoring (FHM) priority but is hampered by the challenges of detecting early stage (“green”) attack from the air. There is indication that green stage might be detected from vertical gradients of spectral data or from shortwave infrared information distributed within a single crown. To evaluate the efficacy of discriminating “non-infested”, “green”, and “dead” health statuses at the landscape scale in Alaska, USA, this study conducted spectral and structural fusion of data from: (1) Unoccupied aerial vehicle (UAV) multispectral (6 cm) + structure from motion point clouds (~700 pts per sq. m); and (2) Goddard Lidar Hyperspectral Thermal (G-LiHT) hyperspectral (400 to 1000 nm, 0.5 m) + SWIR-band lidar (~32 pts per sq.m). We achieved 78% accuracy for all three health statuses using spectral + structural fusion from either UAV or G-LiHT and 97% accuracy for non-infested/dead using G-LiHT. We confirm that UAV 3D spectral (e.g., greenness above versus below median height in crown) and lidar apparent reflectance metrics (e.g., mean reflectance at 99th percentile height in crown), are of high value, perhaps capturing the vertical gradient of needle degradation. In most classification exercises, UAV accuracy was lower than G-LiHT indicating that collecting ultra-high spatial resolution data might be less important than high spectral resolution information. While the value of passive optical spectral information was largely confined to the discrimination of non-infested versus dead crowns, G-LiHT hyperspectral band selection (~400, 675, 755, and 940 nm) could inform future FHM mission planning regarding optimal wavelengths for this task. Interestingly, the selected regions mostly did not align with the band designations for our UAV multispectral data but do correspond to, e.g., Sentinel-2 red edge bands, suggesting a path forward for moderate scale bark beetle detection when paired with suitable structural data.

Janice Cessna↗
DOE OSTI2022

Universally Accessible Structural Data on Macromolecular Conformation, Assembly, and Dynamics by Small Angle X-Ray Scattering for DNA Repair Insights.

Structures provide a critical breakthrough step for biological analyses, and small angle X-ray scattering (SAXS) is a powerful structural technique to study dynamic DNA repair proteins. As toxic and mutagenic repair intermediates need to be prevented from inadvertently harming the cell, DNA repair proteins often chaperone these intermediates through dynamic conformations, coordinated assemblies, and allosteric regulation. By measuring structural conformations in solution for both proteins, DNA, RNA, and their complexes, SAXS provides insight into initial DNA damage recognition, mechanisms for validation of their substrate, and pathway regulation. Here, we describe exemplary SAXS analyses of a DNA damage response protein spanning from what can be derived directly from the data to obtaining super resolution through the use of SAXS selection of atomic models. We outline strategies and tactics for practical SAXS data collection and analysis. Making these structural experiments in reach of any basic and clinical researchers who have protein, SAXS data can readily be collected at government-funded synchrotrons, typically at no cost for academic researchers. In addition to discussing how SAXS complements and enhances cryo-electron microscopy, X-ray crystallography, NMR, and computational modeling, we furthermore discuss taking advantage of recent advances in protein structure prediction in combination with SAXS analysis.

Chinnam, Naga Babu↗