Search NASA⌕ Search

SEARCH · Search NASA

Results for “data structures”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Data mining graphene: Correlative analysis of structure and electronic degrees of freedom in graphenic monolayers with defects

The link between changes in the material crystal structure and its mechanical, electronic, magnetic, and optical functionalities known as the structure-property relationship is the cornerstone of the contemporary materials science research. The recent advances in scanning transmission electron and scanning probe microscopies (STEM and SPM) have opened an unprecedented path towards examining the materials structure property relationships on the single-impurity and atomic-configuration levels. Lacking, however, are the statistics-based approaches for cross-correlation of structure and property variables obtained in different information channels of the STEM and SPM experiments. Here we have designed an approach based on a combination of sliding window Fast Fourier Transform, Pearson correlation matrix, linear and kernel canonical correlation, to study a relationship between lattice distortions and electron scattering from the SPM data on graphene with defects. Our analysis revealed that the strength of coupling to strain is altered between different scattering channels which can explain coexistence of several quasiparticle interference patterns in the nanoscale regions of interest. In addition, the application of the kernel functions allowed us extracting a non-linear component of the relationship between the lattice strain and scattering intensity in graphene. Lastly, the outlined approach can be further utilized to analyzing correlations in various multi-modal imaging techniques where the information of interest is spatially distributed and has usually a complex multidimensional nature.

36 MATERIALS SCIENCE↗
DOE OSTI2017

White Paper on Nuclear Data Needs and Capabilities for Basic Science

Reliable nuclear structure and reaction data represent the fundamental building blocks of nuclear physics and astrophysics research, and are also of importance in many applications. There is a continuous demand for high-quality updates of the main nuclear physics databases via the prompt compilation and evaluation of the latest experimental and theoretical results. The nuclear physics research community benefits greatly from comprehensive, systematic and up-to-date reviews of the experimentally determined nuclear properties and observables, as well as from the ability to rapidly access these data in user-friendly forms. Such credible databases also act as a bridge between science, technology, and society by making the results of basic nuclear physics research available to a broad audience of users, and hence expand the societal utilization of nuclear science. Compilation and evaluation of nuclear data has deep roots in the history of nuclear science research, as outlined in Appendix 1. They have an enormous impact on many areas of science and applications, as illustrated in Figure 2 for the Evaluated Nuclear Structure Data File (ENSDF) database. The present workshop concentrated on the needs of the basic nuclear science community for data and capabilities. The main role of this community is to generate and use data in order to understand the basic nuclear forces and interactions that are responsible for the existence and the properties of all nuclides and, as a consequence, to gain knowledge about the origins, evolution and structure of the universe. Thus, the experiments designed to measure a wealth of nuclear properties towards these fundamental scientific goals are typically performed from within this community.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Convergence in simulating global soil organic carbon by structurally different models after data assimilation

Abstract Current biogeochemical models produce carbon–climate feedback projections with large uncertainties, often attributed to their structural differences when simulating soil organic carbon (SOC) dynamics worldwide. However, choices of model parameter values that quantify the strength and represent properties of different soil carbon cycle processes could also contribute to model simulation uncertainties. Here, we demonstrate the critical role of using common observational data in reducing model uncertainty in estimates of global SOC storage. Two structurally different models featuring distinctive carbon pools, decomposition kinetics, and carbon transfer pathways simulate opposite global SOC distributions with their customary parameter values yet converge to similar results after being informed by the same global SOC database using a data assimilation approach. The converged spatial SOC simulations result from similar simulations in key model components such as carbon transfer efficiency, baseline decomposition rate, and environmental effects on carbon fluxes by these two models after data assimilation. Moreover, data assimilation results suggest equally effective simulations of SOC using models following either first‐order or Michaelis–Menten kinetics at the global scale. Nevertheless, a wider range of data with high‐quality control and assurance are needed to further constrain SOC dynamics simulations and reduce unconstrained parameters. New sets of data, such as microbial genomics‐function relationships, may also suggest novel structures to account for in future model development. Overall, our results highlight the importance of observational data in informing model development and constraining model predictions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Structure and Oxygen Evolution Activity of β-NiOOH: Where Are the Protons?

Ni oxides and oxyhydroxides (NiO x ) have been studied for a long time as cathode materials for alkaline batteries and electrocatalysts for the oxygen evolution reaction (OER). Yet, understanding of the connection between their atomic and electronic structures and electrochemical performance or stability is still incomplete. In this work, we use first-principles density functional theory (DFT) calculations to revisit the structure, electronic properties, and OER activity of β-NiOOH, the catalytically active phase of NiO x . Following extensive DFTbased screening, we identify a hitherto overlooked structure characterized by a uniform distribution of H atoms on the NiO 2 layers. All the Ni 3+ cations in this structure exhibit an identical t g 6 e g 1 electronic configuration with an occupied 3d z2 orbital. Comparison of the calculated bond lengths with extended X-ray absorption fine structure (EXAFS) data unequivocally supports this structure relative to all other low-energy configurations. Based on this structure, we uncover and detail defect-dominated OER mechanisms on the basal β-NiOOH (001) surface, with overpotentials as low as 0.39 V. The present results should provide a valuable contribution to ongoing efforts for understanding and developing enhanced transition-metal hydroxide catalysts for the OER.

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

Imaging pyrometry for most color cameras using a triple pass filter

A simple combination of the Planck blackbody emission law, optical filters, and digital image processing is demonstrated to enable most commercial color cameras (still and video) to be used as an imaging pyrometer for flames and explosions. The hardware and data processing described take advantage of the color filter array (CFA) that is deposited on the surface of the light sensor array present in most digital color cameras. In this work, a triple-pass optical filter incorporated into the camera lens allows light in three 10-nm wide bandpass regions to reach the CFA/light sensor array. These bandpass regions are centered over the maxima in the blue, green, and red transmission regions of the CFA, minimizing the spectral overlap of these regions normally present. A computer algorithm is used to retrieve the blue, green, and red image matrices from camera memory and correct for remaining spectral overlap. A second algorithm calibrates the corrected intensities to a gray body emitter of known temperature, producing a color intensity correction factor for the camera/filter system. The Wien approximation to the Planck blackbody emission law is used to construct temperature images from the three color (blue, green, red) matrices. A short pass filter set eliminates light of wavelengths longer than 750 nm, providing reasonable accuracy (±10%) for temperatures between 1200 and 6000 K. The effectiveness of this system is demonstrated by measuring the temperature of several systems for which the temperature is known.

47 OTHER INSTRUMENTATION↗
NASA NTRS1979

Integrated use of Landsat data for state resource management

The study deals with the integration of a practical information resource - data from the earth orbiting satellite Landsat - with alternate forms of data to structure a state resource data base. State use of Landsat data within a comprehensive resource management scheme is examined. The efforts of NASA in the transfer of this space technology to state resource management applications are outlined. The role two nongovernmental sectors, universities and private industry, play in assisting states to develop Landsat data analysis capability is described.

Schneider, W. G., Jr.↗
NASA NTRS1984

Intraplate extensional tectonics of the eastern Basin-Range Inferencess on structural style from seismic reflection data, regional tectonics, and thermal-mechanical models of brittle-ductile deformation

Using 1500 km of industry-released seismic reflection data, surface geology, velocity models from refraction data, and earthquake data, the large extensional structures in the crust of the eastern Basin-Range and its transition into the Middle Rocky Mountains and Colorado Plateau have been studied. It is suggested that the close spatial correlation between normal faults and thrust fault segmentation along the Wasatch Front reflects major east-trending structural and lithological boundaries inherited from tectonic processes associated with the evolution of the cordilleran miogeocline, which began in the Precambrian.

Smith, R. B.↗
NASA NTRSDate not supplied

Horizontally Integrated Informatics to Support Science Operations in Human Spaceflight

Many systems will be designed and developed for the Artemis program. A subset of these systems will be relevant to scientific activities conducted during the program, but it is important to consider that these scientific activities will be conducted within the context of the larger program. Thinking about the program data holistically, and deliberately structuring its data products in a way that preserves the data’s mission context will enable new opportunities for real-time science support, and long-term analysis of the mission and its data for generations to come (see [1] for an example). Here, we show that horizontally integrated mission data products are valuable by describing the SSERVI RISE2 field program. Temporally contextualized data introduces relationships that do not need to be predefined. One field that greatly benefits from freeform relationship building between disparate datasets is anomaly investigation, where investigators need to follow lines of evidence that may not be a priori apparent. Building relationships between data enables accident investigators to react faster to time-sensitive incidents during EVA operation and other critical human spaceflight activities. Another advantage is the long-term data preservation that enables unplanned or yet-to-be conceived applications or study of this data many years in the future. As Artemis activities become more defined, having a horizontally integrated data management plan will be paramount to ensuring successful mission context is captured for generations to come.

B F Feist↗
DOE OSTI2017

Process-Structure Linkages Using a Data Science Approach: Application to Simulated Additive Manufacturing Data

A novel data science workflow is developed and demonstrated to extract process-structure linkages (i.e., reduced-order model) for microstructure evolution problems when the final microstructure depends on (simulation or experimental) processing parameters. Our workflow consists of four main steps: data pre-processing, microstructure quantification, dimensionality reduction, and extraction/validation of process-structure linkages. These methods that can be employed within each step vary based on the type and amount of available data. In this paper, this data-driven workflow is applied to a set of synthetic additive manufacturing microstructures obtained using the Potts-kinetic Monte Carlo (kMC) approach. Additive manufacturing techniques inherently produce complex microstructures that can vary significantly with processing conditions. Using the developed workflow, a low-dimensional data-driven model was established to correlate process parameters with the predicted final microstructure. In addition, the modular workflows developed and presented in this work facilitate easy dissemination and curation by the broader community.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Damage Detection in Composite Structures with Wavenumber Array Data Processing

Guided ultrasonic waves (GUW) have the potential to be an efficient and cost-effective method for rapid damage detection and quantification of large structures. Attractive features include sensitivity to a variety of damage types and the capability of traveling relatively long distances. They have proven to be an efficient approach for crack detection and localization in isotropic materials. However, techniques must be pushed beyond isotropic materials in order to be valid for composite aircraft components. This paper presents our study on GUW propagation and interaction with delamination damage in composite structures using wavenumber array data processing, together with advanced wave propagation simulations. Parallel elastodynamic finite integration technique (EFIT) is used for the example simulations. Multi-dimensional Fourier transform is used to convert time-space wavefield data into frequency-wavenumber domain. Wave propagation in the wavenumber-frequency domain shows clear distinction among the guided wave modes that are present. This allows for extracting a guided wave mode through filtering and reconstruction techniques. Presence of delamination causes spectral change accordingly. Results from 3D CFRP guided wave simulations with delamination damage in flat-plate specimens are used for wave interaction with structural defect study.

Tian, Zhenhua↗
NASA NTRS1989

Locating damaged members in a truss structure using modal test data - A demonstration experiment

An experiment is designed to demonstrate and verify the performance of the on-orbit assessment approach for large flexible space truss structures. The on-orbit assessment approach can be accomplished, in principle, with dynamic response information, structural identification methods, and model correlation techniques which produce an adjusted mathematical model. An optimal update of the structure model is formed using the response data, then examined to locate damaged members. The experiment uses a laboratory scale model truss structure which exhibits characteristics expected for large space truss structures. Vibration experiments are performed to generate response data for the damaged truss. The damage location approach is described, as well as analytical work performed in support of the vibration tests, the measured response of the test article, and some preliminary results.

Smith, Suzanne Weaver↗
DOE OSTI2015

X-ray Intermolecular Structure Factor (XISF): separation of intra- and intermolecular interactions from total X-ray scattering data

XISF is a MATLAB program developed to separate intermolecular structure factors from total X-ray scattering structure factors for molecular liquids and amorphous solids. The program is built on a trust-region-reflective optimization routine with the r.m.s. deviations of atoms physically constrained. XISF has been optimized for performance and can separate intermolecular structure factors of complex molecules.

MATLAB↗
DOE OSTI2024

Updated resources for exploring experimentally-determined PDB structures and Computed Structure Models at the RCSB Protein Data Bank

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB, RCSB.org), the US Worldwide Protein Data Bank (wwPDB, wwPDB.org) data center for the global PDB archive, provides access to the PDB data via its RCSB.org research-focused web portal. We report substantial additions to the tools and visualization features available at RCSB.org, which now delivers more than 227000 experimentally determined atomic-level three-dimensional (3D) biostructures stored in the global PDB archive alongside more than 1 million Computed Structure Models (CSMs) of proteins (including models for human, model organisms, select human pathogens, crop plants and organisms important for addressing climate change). In addition to providing support for 3D structure motif searches with user-provided coordinates, new features highlighted herein include query results organized by redundancy-reduced Groups and summary pages that facilitate exploration of groups of similar proteins. Newly released programmatic tools are also described, as are enhanced training opportunities.

Burley, Stephen K.↗
NASA NTRS1991

Multipoint observations of planar interplanetary magnetic field structures

IMF data made on November 1, 1984, by three spatially well-separated spacecraft in the solar wind are presented. The IMF measured by each of the spacecraft is found to consist of a multiplicity of structures within which the magnetic field varies in parallel planes. The orientations of these planes at the three spacecraft locations are similar. The planes are inclined at a large angle to the ecliptic, and they lie almost perpendicular to the nominal Parker spiral direction in the ecliptic. Intercomparisons of the measurements at the various spacecraft show that the IMF features at one spacecraft are clearly reproduced at another, with time delays required for signal propagation. From these time delays and the mutual separations of the spacecraft, it is inferred that the structures are convecting with the ambient flow. Simultaneous observations made downstream of the bow shock in the magnetosheath reveal that the magnetosheath magnetic field, too, is planar.

Farrugia, C. J.↗
DOE OSTI2021

Accurate Effective Stress Measures: Predicting Creep Life for 3D Stresses Using 2D and 1D Creep Rupture Simulations and Data

Operating structural components experience complex loading conditions resulting in 3D stress states. Current design practice estimates multiaxial creep rupture life by mapping a general state of stress to a uniaxial creep rupture correlation using effective stress measures. The data supporting the development of effective stress measures are nearly always only uniaxial and biaxial, as 3D creep rupture tests are not widely available. This limitation means current effective stress measures must extrapolate from 2D to 3D stress states, potentially introducing extrapolation error. In this work, we use a physics-based, crystal plasticity finite element model to simulate uniaxial, biaxial, and triaxial creep rupture. Here, we use the virtual dataset to assess the accuracy of current and novel effective stress measures in extrapolating from 2D to 3D stresses and also explore how the predictive accuracy of the effective stress measures might change if experimental 3D rupture data was available. We confirm these conclusions, based on simulation data, against multiaxial creep rupture experimental data for several materials, drawn from the literature. The results of the virtual experiments show that calibrating effective stress measures using triaxial test data would significantly improve accuracy and that some effective stress measures are more accurate than others, particularly for highly triaxial stress states. Results obtained using experimental data confirm the numerical findings and suggest that a unified effective stress measure should include an explicit dependence on the first stress invariant, the maximum tensile principal stress, and the von Mises stress.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Machine learning approaches for crystallographic classification from synthetic 2D X-ray diffraction data

Crystallographic structure identification is crucial for understanding material properties; however, current methodologies often depend on labor-intensive and time-consuming analyses of 2D X-ray diffraction (XRD) patterns. To address these limitations, this study employs synthetic 2D XRD patterns combined with deep learning (DL) techniques to enable automated and high-throughput classification of the seven crystal systems and 230 space groups. We introduce the novel Auto Diffraction Pipeline, designed to generate synthetic 2D XRD spot patterns from crystallographic information files under diverse conditions, including varying zone axes, atomic substitution, atomic depletion and mechanical loading. These conditions enhance the realism of synthetic data, mitigating the scarcity of experimental datasets and enabling the creation of large representative training sets. Convolutional neural networks were trained and validated on these synthetic datasets to classify crystallographic structures across multiple scenarios. Our results demonstrate that integrating synthetic 2D XRD patterns with DL facilitates rapid, accurate and automated crystallographic classification, promoting the wider adoption of data-driven approaches in materials science.

Shahnazari, Ayoub [Univ. of Rochester, NY (United ↗
DOE OSTI2021

Ab Initio Molecular Dynamics Simulations of Amorphous Calcium Carbonate: Interpretation of Pair Distribution Function and X-Ray Absorption Spectroscopy Data

The structure and transformation of hydrous amorphous calcium carbonate (ACC) are key to understanding biomineralization pathways and their relationship with the properties of the resulting material. Quantitative interpretation of scattering experiments aimed at elucidating the structure of ACC is challenging, due to the amorphous nature of this material, and, therefore, requires models for the structure and the scattering physics. Here, we generate physically realistic ensembles of hydrated ACC structures and their vibrational disorder from ab initio molecular dynamics (AIMD) simulations with an emphasis on enabling the consistent interpretation of the finer details of three complementary structural probes: neutron and x-ray pair distribution experiments and x-ray absorption spectroscopy (XAS). In each case, we simulate the signal directly in reciprocal space and then manipulate it into the real-space pair distribution function (PDF) or spectrum using the same procedures for the experimental and theoretical data. Good agreement with experiment was obtained across the three techniques with the simulations accounting well for all features in the spectra. Remaining small discrepancies pointed to differences between real samples and the idealized simulated systems such as deviations from the nominal CaCO3·nH2O stoichiometry. Additionally, the simulations offered a more accurate description of the local coordination environment of calcium than previous shell-by-shell fits to spectra of synthetic ACC and classical molecular dynamics simulations. This work demonstrates that AIMD is a powerful approach for extracting detailed structural information from neutron PDF, x-ray PDF, and XAS of amorphous carbonate phases.

Prange, Micah P.↗
DOE OSTI2016

Data catalog project—A browsable, searchable, metadata system

Modern experiments are typically conducted by large, extended groups, where researchers rely on other team members to produce much of the data they use. The experiments record very large numbers of measurements that can be difficult for users to find, access and understand. Here. we are developing a system for users to annotate their data products with structured metadata, providing data consumers with a discoverable, browsable data index. Machine understandable metadata captures the underlying semantics of the recorded data, which can then be consumed by both programs, and interactively by users. Collaborators can use these metadata to select and understand recorded measurements. The data catalog project is a data dictionary and index which enables users to record general descriptive metadata, use cases and rendering information as well as providing them a transparent data access mechanism (URI). Users describe their diagnostic including references, text descriptions, units, labels, example data instances, author contact information and data access URIs. The list of possible attribute labels is extensible, but limiting the vocabulary of names increases the utility of the system. The data catalog is focused on the data products and complements process-based systems like the Metadata Ontology Provenance project [Greenwald, 2012; Schissel, 2015]. This system can be coupled with MDSplus to provide a simple platform for data driven display and analysis programs. Sites which use MDSplus can describe tree branches, and if desired create ‘processed data trees’ with homogeneous node structures for measurements. Sites not currently using MDSplus can either use the database to reference local data stores, or construct an MDSplus tree whose leaves reference the local data store. A data catalog system can provide a useful roadmap of data acquired from experiments or simulations making it easier for researchers to find and access important data and understand the meaning of the data and how it was obtained. This is particularly useful in research facilities that study the results of many different experiments or simulations and may not know the intricacies of the data organization in use where the data was generated. It is also possible to store a local copy of key data items in local MDSplus trees and then add processed data to the local catalog.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗