Synchrotron scattering and thermo-mechanical properties of high performance thermotropic polymer. A multi-scale analysis and structure-property correlation
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99 GENERAL AND MISCELLANEOUS↗
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MHOST version 4.2. Volume 1: Users' manual
This manual describes the user options available for running the MHOST finite element analysis package. MHOST is a solid and structural analysis program based on mixed finite element technology, and is specifically designed for three-dimensional inelastic analysis. A family of two- and three-dimensional continuum elements along with beam and shell structural elements can be utilized. Many options are available in the constitutive equation library, the solution algorithms and the analysis capabilities. An overview of the algorithms, a general description of the input data formats, and a discussion of input data for selecting solution algorithms are given.
Nakazawa, Shohei↗
Impact analysis of composite aircraft structures
The impact analysis of composite aircraft structures is discussed. Topics discussed include: background remarks on aircraft crashworthiness; comments on modeling strategies for crashworthiness simulation; initial study of simulation of progressive failure of an aircraft component constructed of composite material; and research direction in composite characterization for impact analysis.
Pifko, Allan B.↗
Automated Contextual Analysis of Thematic Structure in Natural Language
Automated analysis of natural language text structure
Misek, L. D.↗
Z-Contrast Enhancement in Au–Pt Nanocatalysts by Correlative X-ray Absorption Spectroscopy and Electron Microscopy: Implications for Composition Determination
The properties of bimetallic nanoparticles (BNPs) vary widely as a function of their composition and size distributions. X-ray absorption fine structure analysis is commonly used to characterize their structure, but its application to elements that are close to each other in the periodic table is hampered by poor Z-contrast. For this study, we trained an artificial neural network to recognize the partial coordination numbers in AuPt NPs synthesized via peptide templating using their X-ray absorption near-edge structure spectra. This approach, combined with scanning transmission electron microscopy analysis, revealed unique details of this prototype catalytic system that has different forms of heterogeneities at both the intra- and inter-particle levels. Our method based on the enhancement of Z-contrast of metal species will have implications for compositional studies of BNPs.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Efficient extraction of xylan from delignified corn stover using dimethyl sulfoxide
Xylan can be extracted from biomass using either alkali (KOH or NaOH) or dimethyl sulfoxide (DMSO); however, DMSO extraction is the only method that produces a water-soluble xylan. In this study, DMSO extraction of corn stover was studied at different temperatures with the objective of finding a faster, more efficient extraction method. The temperature and time of extraction were compared followed by a basic structural analysis to ensure that no significant structural changes occurred under different temperatures. The resulting data showed that heating to 70 degrees C during extraction can give a yield comparable to room temperature extraction while reducing the extraction time by ~90 %. This method of heating was shown to be the most efficient method currently available and was shown to retain the important structural characteristics of xylan extracted with DMSO at room temperature.
09 BIOMASS FUELS↗
Evaluating the pressure dependence of PZT structures using a virtual reality environment
Pb–Zr–Ti–O (PZT) perovskites span a large solid-solution range and have found widespread use due to their piezoelectric and ferroelectric properties that also span a large range. Crystal structure analysis via Rietveld refinement facilitates materials analysis via the extraction of the structural parameters. These parameters, often obtained as a function of an additional dimension (e.g., pressure), can help to diagnose materials response within a use environment. Often referred to as “ in-situ ” studies, these experiments provide an abundance of data. Viewing structural changes due to applied pressure conditions can give much-needed insight into materials performance. However, challenges exist for viewing/presenting results when the details are inherently three-dimensional (3D) in nature. For PZT perovskites, the use of polyhedra (e.g., Zr/Ti–O 6 octahedra) to view bonding/connectivity is beneficial; however, the visualization of the octahedra behavior with pressure dependence is less easily demonstrated due to the complexity of the added pressure dimension. We present a more intuitive visualization by projecting structural data into virtual reality (VR). We employ previously published structural data for Pb 0.99 (Zr 0.95 Ti 0.05 ) 0.98 Nb 0.02 O 3 as an exemplar for VR visualization of the PZT R3c crystal structure between ambient and 0.62 GPa pressure. This is accomplished via our in-house CAD2VR™ software platform and the new CrystalVR plugin. The use of the VR environment enables a more intuitive viewing experience, while enabling on-the-fly evaluation of crystal data, to form a detailed and comprehensive understanding of in-situ datasets. Discussion of methodology and tools for viewing are given, along with how recording results in video form can enable the viewing experience.
Rodriguez, Mark A. (ORCID:0000000269405044)↗
Sensitivity and Limitations of Structures from X-ray and Neutron-Based Diffraction Analyses of Transition Metal Oxide Lithium-Battery Electrodes
Lithium transition metal oxides are an important class of electrode materials for lithium-ion batteries. Binary or ternary (transition) metal doping brings about new opportunities to improve the electrode’s performance and often leads to more complex stoichiometries and atomic structures than the archetypal LiCoO 2 . Rietveld structural analyses of X-ray and neutron diffraction data is a widely-used approach for structural characterization of crystalline materials. But, different structural models and refinement approaches can lead to differing results, and some parameters can be difficult to quantify due to the inherent limitations of the data. Here, through the example of LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA), we demonstrated the sensitivity of various structural parameters in Rietveld structural analysis to different refinement approaches and structural models, and proposed an approach to reduce refinement uncertainties due to the inexact X-ray scattering factors of the constituent atoms within the lattice. Furthermore, this refinement approach was implemented for electrochemically-cycled NCA samples and yielded accurate structural parameters using only X-ray diffraction data. The present work provides the best practices for performing structural refinement of lithium transition metal oxides.
25 ENERGY STORAGE↗
PRINCEPS: A computer-based approach to the structural description and recognition of trends within structural databases, and its application to the Ce-Ni-Si System
Intermetallic crystal structures offer an enormous structural diversity, with an endless array of structural motifs whose connection to stability and physical properties are often mysterious. Making sense of the often complex crystal structures that arise here, developing a clear structural description, and identifying connections to other phases can be laborious and require an encyclopedic knowledge of structure types. In this Article, we present PRINCEPS, an algorithm based on a new coordination environment projection scheme that facilitates the structural analysis and comparison of such crystal structures. We demonstrate the potential of this approach by applying it to the complex Ce-Ni-Si ternary system, whose 17 binary and 21 ternary phases would present a daunting challenge to one seeking to understand the system by manual inspection (but has nonetheless been well-described through the heroic efforts of previous researchers). With the help of PRINCEPS, most of the ternary phases in this system can be rationalized as intergrowths of simple structural fragments, and grouped into a handful of structural series (with some outliers). Lastly, these results illustrate how the PRINCEPS approach can be used to organize a vast collection of crystal structures into structurally meaningful families, and guide the description of complex atomic arrangements.
97 MATHEMATICS AND COMPUTING↗
Conformational heterogeneity of the BTK PHTH domain drives multiple regulatory states
Full-length Bruton’s tyrosine kinase (BTK) has been refractory to structural analysis. The nearest full-length structure of BTK to date consists of the autoinhibited SH3–SH2–kinase core. Precisely how the BTK N-terminal domains (the Pleckstrin homology/Tec homology [PHTH] domain and proline-rich regions [PRR] contain linker) contribute to BTK regulation remains unclear. We have produced crystals of full-length BTK for the first time but despite efforts to stabilize the autoinhibited state, the diffraction data still reveal only the SH3–SH2–kinase core with no electron density visible for the PHTH–PRR segment. Cryo-electron microscopy (cryoEM) data of full-length BTK, on the other hand, provide the first view of the PHTH domain within full-length BTK. CryoEM reconstructions support conformational heterogeneity in the PHTH–PRR region wherein the globular PHTH domain adopts a range of states arrayed around the autoinhibited SH3–SH2–kinase core. On the way to activation, disassembly of the SH3–SH2–kinase core opens a new autoinhibitory site on the kinase domain for PHTH domain binding that is ultimately released upon interaction of PHTH with phosphatidylinositol (3,4,5)-trisphosphate. Membrane-induced dimerization activates BTK and we present here a crystal structure of an activation loop swapped BTK kinase domain dimer that likely represents the conformational state leading to trans-autophosphorylation. Together, these data provide the first structural elucidation of full-length BTK and allow a deeper understanding of allosteric control over the BTK kinase domain during distinct stages of activation.
59 BASIC BIOLOGICAL SCIENCES↗
Research Achievements Reviews. Volume 1 - Series 1 Through 22
Marshall Space Flight Center research project, and technological developments on manned space flight, trajectory analysis, structural designs, and related topics
MANNED SPACE FLIGHT↗
High Energy Astronomy Observatory, Mission C, Phase A. Volume 2: Preliminary analyses and conceptual design
An analysis and conceptual design of a baseline mission and spacecraft are presented. Aspects of the HEAO-C discussed include: baseline experiments with X-ray observations of space, analysis of mission requirements, observatory design, structural analysis, thermal control, attitude sensing and control system, communication and data handling, and space shuttle launch and retrieval of HEAO-C.
Source record↗
Expendable second stage reusable space shuttle booster. Volume 12: Design data book
The general and design criteria for the expendable second stage of the reusable space shuttle booster are presented. The subjects discussed are: (1) trajectory development, (2) aerodynamic heating on basic payloads, (3) vehicle configurations, trajectory, and heat regimes, (4) orbit maneuvering system, (5) structural analysis, and (6) booster loads and structural sizing.
Source record↗
An analytical study of effects on aeroelasticity on control effectiveness
Various uses of the Elastic Stability Derivative (ELASRAD) program are described. Topics include structural influence coefficient matrices of wings, arrow wing structural analysis, and graphic display of wing structures. The rigid and elastic stability derivatives were calculated for Transonic Aircraft Technology Project aircraft.
Mehrotra, S. C.↗
Buckling and postbuckling research on flat and curved composite panels
Progress in the development of verified design technology for generic advanced-composite structural components loaded in compression is reported. Generic structural configurations material systems and load ranges of interest for a given application were investigated using structural procedures, structural analysis procedures, and laboratory testing of structural specimens. Both flat and curved composite compression panels that are designed either to be buckling resistant or to have postbuckling strength depending on the expected application of the panels were considered.
Starnes, J. H., Jr.↗
A modified Finite Element-Transfer Matrix for control design of space structures
The Finite Element-Transfer Matrix (FETM) method was developed for reducing the computational efforts involved in structural analysis. While being widely used by structural analysts, this method does, however, have certain limitations, particularly when used for the control design of large flexible structures. In this paper, a new formulation based on the FETM method is presented. The new method effectively overcomes the limitations in the original FETM method, and also allows an easy construction of reduced models that are tailored for the control design. Other advantages of this new method include the ability to extract open loop frequencies and mode shapes with less computation, and simplification of the design procedures for output feedback, constrained compensation, and decentralized control. The development of this new method and the procedures for generating reduced models using this method are described in detail and the role of the reduced models in control design is discussed through an illustrative example.
Tan, T.-M.↗
Aeronautics Technology Possibilities for 2000: Report of a Workshop
Topics discussed include: Aerodynamics; Propulsion; Structural Analysis and Design Technology; Materials for Structural Members, Propulsion Systems, and Subsystems; Guidance, Navigation, and Control; Computer and Information Technology; Human Factors Engineering; Systems Integration.
Source record↗
Treatment of Transient Pressure Events in Space Flight Pressurized Systems
The general physics of pressure transients, sources of pressure transients, and major factors influencing pressure transients are addressed. Mitigation strategies that aid in reducing the magnitude of pressure transients are discussed. Methods to characterize pressure transients and their effects on the structure are presented. Case studies illustrate the structural analysis methodology used to predict the structural dynamic response. The structural verification process involves formulating acceptance and qualification programs, which requires knowledge of the stress state. The maximum expected operating pressure (MEOP) is established such that the maximum stress produced by static pressure is equivalent to the maximum stress at the same critical location produced by the combined effect of steady state pressure and the magnitude of the pressure transient. A roadmap on how to treat transient pressures in the structural verification process of spaceflight pressurized systems (e.g., valves, lines, pressure vessels, pressurized structures) is presented.
Transient Pressure Events↗