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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,729 records · Page 96

Structural dynamics research in a full-scale transport aircraft crash test

A remotely piloted air-to-ground crash test of a full-scale transport aircraft was conducted for the first time for two purposes: (1) to demonstrate performance of an antimisting fuel additive in suppressing fire in a crash environment, and (2) to obtain structural dynamics data under crash conditions for comparison with analytical predictions. The test, called the Controlled Impact Demonstration (CID), was sponsored by FAA and NASA with cooperation of industry, the Department of Defense, and the British and French governments. The test aircraft was a Boeing 720 jet transport. The aircraft impacted a dry lakebed at Edwards Air Force Base, CA. The purpose of this paper is to discuss the structural aspects of the CID. The fuselage section tests and the CID itself are described. Structural response data from these tests are presented and discussed. Nonlinear analytical modeling efforts are described, and comparisons between analytical results and experimental results are presented.

Mccomb, H. G., Jr.↗

Mapping Inquiry Tool (MapIT) Database

The Mapping Inquiry Tool (MapIT) database consists of a geodatabase and data catalog of geologic, geophysical, structural, hydrologic, and contextual data, based on the data types to support geologic carbon storage activities and other subsurface energy systems resource assessments. The database was aggregated from publicly available data across the USA from state and federal entities. The database is structured by categories including rock unit geology, boundaries, national CS datasets, geophysical data, faults and structural data, infrastructure, surface hydrology, groundwater, and more. The data described in the data catalog is also available in the Mapping Inquiry Tool (https://edx.netl.doe.gov/dataset/mapping-inquiry-tool). Version 3 of the geodatabase and data catalog have been updated as of 5/17/2024. The database was published with a limited number of layers. The Catalog V3 contains many more resources than the geodatabase, documenting all layers that will be included in MapIT, and includes links to the original sources of the data. Within the catalog, in the final column, there is information about if the file is included in the geodatabase or not. Use the links provided in the catalog to download data directly from the original source if not included in the geodatabase. Four resources are included in this submission: 1. Geodatabase 2. ReadMe file 3. Catalog of data layers and additional data resources 4. Web link to a resource describing the motivation and reviewing the content of the geodatabase - DOE NETL Carbon Storage Site Mapping Inquiry Tool Database

carbon storage↗

Data for: Subsurface Interface Structure Controlling Local Electronic Properties of Epitaxial Graphene on SiC(0001)

Recently realized high-mobility semiconducting epitaxial graphene on silicon carbide, provided an important step towards integration of the graphene-based system into active components in post-silicon micro- and nano-electronics. However, the exact atomic-scale structure and the complex bonding configurations of the first epitaxial graphene carbon layer remain an open problem. Our recent report has shed new light on understanding this interface, where the external transverse electric field-dependent dynamic switching behavior of the Cbuffer-SiC bonds was observed. Here, using scanning tunneling microscopy and spectroscopy (STM and STS), we present the direct evidence of silicon (Si) vacancies at the interface and provide their distribution at the topmost reconstructed SiC(0001) layer. Experimental STM and density functional theory modeling data were used in the preparation of figures in a published article in the Journal of Physical Chemistry Letters. Files related to the figures and supplementary materials in the article are present in this dataset in .txt format.

Condensed matter imaging↗

Data for: Subsurface Interface Structure Controlling Local Electronic Properties of Epitaxial Graphene on SiC(0001)

Recently realized high-mobility semiconducting epitaxial graphene on silicon carbide, provided an important step towards integration of the graphene-based system into active components in post-silicon micro- and nano-electronics. However, the exact atomic-scale structure and the complex bonding configurations of the first epitaxial graphene carbon layer remain an open problem. Our recent report has shed new light on understanding this interface, where the external transverse electric field-dependent dynamic switching behavior of the Cbuffer-SiC bonds was observed. Here, using scanning tunneling microscopy and spectroscopy (STM and STS), we present the direct evidence of silicon (Si) vacancies at the interface and provide their distribution at the topmost reconstructed SiC(0001) layer. Experimental STM and density functional theory modeling data were used in the preparation of figures in a published article in the Journal of Physical Chemistry Letters. Files related to the figures and supplementary materials in the article are present in this dataset in .txt format.

Condensed matter imaging↗

Novel Strategy To Analyze Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Data of Biomass Pyrolysis Oil for Oligomeric Structure Assignment

Among the most prominent challenges for the analysis of biomass pyrolysis products is the characterization of the abundant oligomer fraction of bio-oil. This fraction is principally made up of pyrolytic lignins and dehydrated, highly modified sugar oligomers, called humins, in liquid phase. An emerging technique for analysis of this oligomer fraction is high-resolution Fourier transform-ion cyclotron resonance mass spectrometry (FT-ICR MS), which allows for accurate determination of C x H y O z formulae for detected oligomers. Additionally, using simple dehydration and fragmentation reaction schemes, similar formulae can be developed from cellulose-, hemicellulose- and lignin-derived oligomers, which are primary depolymerization products. In this paper, FT-ICR MS analysis is coupled with combinatoric dehydration and fragmentation modeling in order to match experimentally detected bio-oil oligomers with hypothetical pathways for their formation during pyrolysis. In this way, we present a novel strategy by which oligomeric structures can be proposed for bio-oils. Using this approach, it becomes possible to advance the understanding of both the molecular structures comprising the bio-oil oligomer fraction and the pathways by which these structures form during biomass pyrolysis reactions.

09 BIOMASS FUELS↗

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

Despite an abundance of online databases providing access to chemical data, there is increasing demand for highquality, structure-curated, open data to meet the various needs of the environmental sciences and computational toxicology communities. The U.S. Environmental Protection Agency’s (EPA) web-based CompTox Chemistry Dashboard is addressing these needs by integrating diverse types of relevant domain data through a cheminformatics layer, built upon a database of curated substances linked to chemical structures. These data include physicochemical, environmental fate and transport, exposure, usage, in vivo toxicity, and in vitro bioassay data, surfaced through an integration hub with link-outs to additional EPA data and public domain online resources. Batch searching allows for direct chemical identifer (ID) mapping and downloading of multiple data streams in several diferent formats. This facilitates fast access to available structure, property, toxicity, and bioassay data for collections of chemicals (hundreds to thousands at a time). Advanced search capabilities are available to support, for example, non-targeted analysis and identifcation of chemicals using mass spectrometry. The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content underpinning the Dashboard has been aggregated over the past 15 years by both manual and auto-curation techniques within EPA’s DSSTox project. DSSTox chemical content is subject to strict quality controls to enforce consistency among chemical substance-structure identifers, as well as list curation review to ensure accurate linkages of DSSTox substances to chemical lists and associated data. The Dashboard, publicly launched in April 2016, has expanded considerably in content and user trafc over the past year. It is continuously evolving with the growth of DSSTox into high-interest or data-rich domains of interest to EPA, such as chemicals on the Toxic Substances Control Act listing, while providing the user community with a fexible and dynamic web-based platform for integration, processing, visualization and delivery of data and resources. The Dashboard provides support for a broad array of research and regulatory programs across the worldwide community of toxicologists and environmental scientists.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A deep learning-enhanced framework for multiphysics joint inversion

Joint inversion has drawn considerable attention due to the availability of multiple geophysical data sets, ever-increasing computational resources, the development of advanced algorithms, and its ability to reduce inversion uncertainty. A key issue of joint inversion is to develop effective strategies to link different geophysical data in a unified mathematical framework, in which the information obtained from different models can complement each other. We have developed a deep learning-enhanced joint inversion framework to simultaneously reconstruct different physical models by fusing different types of geophysical data. Traditionally, structure similarity constraints are pursued by joint inversion algorithms using manually crafted formulations (e.g., cross gradient). The constraint is constructed by a deep neural network (DNN) during the learning process. The framework is designed to combine the DNN and a traditional independent inversion workflow and improve the joint inversion result iteratively. The network can be easily extended to incorporate multiphysics without structural changes. Numerical experiments on the joint inversion of 2D DC resistivity data and seismic traveltime are used to validate our method. In addition, this learning-based framework demonstrates excellent generalization abilities when tested on data sets using different geologic structures. It also can handle different sensing configurations and nonconforming discretization.

Geochemistry & Geophysics↗

Using pyrometry to identify porosity in additively manufactured structures

A method and apparatus for identifying porosity in a structure made by an additive manufacturing process in which a laser is scanned across layers of material to form the structure. Pyrometry data comprising images of the layers acquired during additive manufacturing of the structure is received. The pyrometry data is used to generate temperature data comprising estimated temperatures of points in the layers in the images of the layers. The temperature data is used to identify shapes fit to high temperature areas in the images of the layers. Conditions of the shapes fit to the high temperature areas in the images of the layers are identified. Outlier shapes are identified in the shapes fit to the high temperature areas in the images of the layers using the conditions of the shapes.

Mitchell, John A.↗

Replication Data for: Neural network assisted analysis of bimetallic nanocatalysts using X-ray absorption near edge structure spectroscopy

The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SEPAC flight software detailed design specifications, volume 1

The detailed design specifications (as built) for the SEPAC Flight Software are defined. The design includes a description of the total software system and of each individual module within the system. The design specifications describe the decomposition of the software system into its major components. The system structure is expressed in the following forms: the control-flow hierarchy of the system, the data-flow structure of the system, the task hierarchy, the memory structure, and the software to hardware configuration mapping. The component design description includes details on the following elements: register conventions, module (subroutines) invocaton, module functions, interrupt servicing, data definitions, and database structure.

Source record↗

Structural studies of metal nanoparticles using high-energy x-ray diffraction

The XRD patterns of nanoparticles exhibit broad Bragg peaks because of small size, where the contribution of diffuse component provides us with inherent structural information. Therefore, pair distribution function obtained from a Fourier transformation of high-energy XRD data and structure modeling on the basis of diffraction data becomes an essential tool to understand the structure of nanoparticles. This promising tool was utilized to obtain structural information of Pd/Pt bimetallic core/shell and solid-solution nanoparticles, which show much attention due to their improved hydrogen storage capacity and catalytic activity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Adding a Second Ku-Band Antenna to the International Space Station

The International Space Station, as originally developed, used the Ku-Band Tracking and Data Relay Satellite System communications link to transmit non-critical data to the ground. Since becoming operational, the use for the link evolved to include additional services that, although also not critical, were deemed to be necessary for the crew. The external Ku-Band Antennas were designed for transport to the ISS in the shuttle cargo bay and thus are not suitable for manifesting on any current cargo vehicle. The original intent was to stow two spare antennas on orbit in a protective container until such time as they were needed to replace a failing unit which is a long and complicated process due to the complexity of the removal and replacement procedure. The Boeing Company proposed manifesting one of those spare antennas in an operable configuration eliminating the need for an Extravehicular Activity (EVA) to correct the first failure and as such minimizing the time to hours rather than weeks required to restore the Ku-Band communications link after failures. After the first failure, an EVA would be scheduled to replace the failed antenna with the stowed spare antenna. Because the hot spare is activated internal to the ISS, the replacement of the failed unit can be done when convenient rather than in haste. This paper describes the methodology used to locate a suitable site to add a new antenna mast to the ISS as well the process followed to fabricate, deliver and install the new interface hardware. Because this was not planned when the ISS was originally designed, structural, power, data and Intermediate Frequency signal connections had to be found for use. With the movement of the P6 solar array element from the initial location in the center zenith location of the ISS to the end of the port side of the truss and concurrent relocation of one string of S-Band communications assets, there were candidate power, data and structural connections available on the Z1 Truss. The engineering team evaluated these residual interfaces for use and designed cabling and structural elements for the candidate interfaces. The antenna was recently installed on ULF-4 and has completed a preliminary checkout. Included in this check out were evaluation of the power level received from the TDRS and evaluation of the gimbal position feedback for consideration in the static bias pointing matrix. This process demonstrates the ability to modify and upgrade manned space vehicles as either need or technology requires.

DuSold, Chuck↗

Nuclear Data Sheets for A=177

Evaluated nuclear structure and decay data for all nuclei with mass number A=177 (Ho,Er,Tm,Yb,Lu, Hf,Ta,W,Re,Os,Ir,Pt,Au,Hg,Tl) are presented. Here, the experimental data are compiled and evaluated, and best values for level and gamma-ray energies, quantum numbers, lifetimes, gamma-ray intensities and transition probabilities, and other nuclear properties are recommended. Inconsistencies and discrepancies that exist in the literature are discussed.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

RCSB protein data Bank: Next‐generation advanced search for exploration of experimental structures and computed structure models

Abstract The Protein Data Bank (PDB), established in 1971, is the primary global, open‐access archive for experimentally determined 3D macromolecular structures (proteins, RNA, DNA). The research‐focused RCSB.org web‐portal provides access to these data alongside more than one million machine‐learning‐predicted structure models, greatly expanding the available structural landscape. Rapid growth of both experimental and computational structures has increased the need for powerful yet accessible search tools that serve a broad and diverse scientific community. Herein, we describe a redesigned RCSB Protein Data Bank RCSB.org Advanced Search capability that supports intuitive discovery of 3D structures through a unified interface. This interface integrates annotation‐, sequence‐, and 3D structure‐based searches, embeds an interactive 3D viewer, and incorporates curated biological knowledge, such as catalytic site definitions from Mechanism and Catalytic Site Atlas and ligand‐guided structural motifs, for constructing geometry‐driven queries. A new Chemical Search tool allows definition of chemical queries via an integrated drawing tool or standard identifiers, seamlessly combining them with annotation filters. By allowing query definition directly within spatial and chemical contexts, these search interfaces reduce the need for detailed knowledge of residue numbering, chain identifiers, or external cheminformatics software. This capability enables efficient exploration of structures, chemical diversity, and structure–function relationships across all life domains. The redesigned interfaces can be accessed directly at rcsb.org/search/advanced for Advanced Search and rcsb.org/search/chemical for Chemical Search.

Rose, Yana [Research Collaboratory for Structural ↗

Nuclear Data Sheets for A=188☆

Evaluated nuclear structure and decay data for all nuclei with mass number A=188 (Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po) are presented. The experimental data are compiled and evaluated, and best values for level and gamma-ray energies, quantum numbers, lifetimes, gamma-ray intensities, and other nuclear properties are recommended. Inconsistencies and discrepancies that exist in the literature are noted. This work supersedes the earlier evaluation by Balraj Singh (2002Si10), published in Nuclear Data Sheets 95, 387 (2002). The gamma-ray transition probabilities were calculated using the ENSDF analysis program ruler (www-nds.iaea.org/public/ensdf{sub p}gm/). However, the reader should be warned that the program may produce incorrect results when dealing with non-symmetric uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Programs for transferring data between a relational data base and a finite element structural analysis program

An interface system for passing data between a relational information management (RIM) data base complex and engineering analysis language (EAL), a finite element structural analysis program is documented. The interface system, implemented on a CDC Cyber computer, is composed of two FORTRAN programs called RIM2EAL and EAL2RIM. The RIM2EAL reads model definition data from RIM and creates a file of EAL commands to define the model. The EAL2RIM reads model definition and EAL generated analysis data from EAL's data library and stores these data dirctly in a RIM data base. These two interface programs and the format for the RIM data complex are described.

Johnson, S. C.↗