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Results for “Structure determination”

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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

The large-scale morphology of IRAS galaxies

At present, visual inspection is the only method for comparing the large-scale morphologies in the distribution of galaxies to those in model universes generated by N-body simulations. To remedy the situation, we have developed a set of three structure functions (S1, S2, S3) that quantify the degree of large-scale prolateness, oblateness, and sphericity/uniformity of a 3-D particle distribution and have applied them to a volume-limited (less than = 4000 km/s) sample of 699 IRAS galaxies with f sub 60 greater than 1.2 Jy. To determine the structure functions, we randomly select 500 galaxies as origins of spherical windows of radius R sub w, locate the centroid of the galaxies in the window (assuming all galaxies have equal mass) and then, compute the principal moments of inertia (I sub 1, I sub 2, I sub 3) about the centroid. Each S sub i is a function of (I sub 2)/(I sub 1) and (I sub 3)/I sub 1). S1, S2, and S3 tend to unity for highly prolate, oblate, and uniform distributions, respectively and tend to zero otherwise. The resulting 500 values of S sub i at each scale R sub w are used to construct a histogram.

Babul, Arif↗
NASA NTRS1994

A Supersonic Tunnel for Laser and Flow-Seeding Techniques

A supersonic wind tunnel with flow conditions of 3 lbm/s (1.5 kg/s) at a free-stream Mach number of 2.5 was designed and tested to provide an arena for future development work on laser measurement and flow-seeding techniques. The hybrid supersonic nozzle design that was used incorporated the rapid expansion method of propulsive nozzles while it maintained the uniform, disturbance-free flow required in supersonic wind tunnels. A viscous analysis was performed on the tunnel to determine the boundary layer growth characteristics along the flowpath. Appropriate corrections were then made to the contour of the nozzle. Axial pressure distributions were measured and Mach number distributions were calculated based on three independent data reduction methods. A complete uncertainty analysis was performed on the precision error of each method. Complex shock-wave patterns were generated in the flow field by wedges mounted near the roof and floor of the tunnel. The most stable shock structure was determined experimentally by the use of a focusing schlieren system and a novel, laser based dynamic shock position sensor. Three potential measurement regions for future laser and flow-seeding studies were created in the shock structure: deceleration through an oblique shock wave of 50 degrees, strong deceleration through a normal shock wave, and acceleration through a supersonic expansion fan containing 25 degrees of flow turning.

Bruckner, Robert J.↗
DOE OSTI2025

Structural insights into transcriptional regulation by the helicase RECQL5

Abstract Transcription poses a major challenge for genome stability. The RECQL5 helicase helps safeguard genome integrity and is the only member of the human RecQ helicase family that directly binds to RNA polymerase II (Pol II) and affects its progression. While RECQL5 mitigates transcription stress in cells, the molecular mechanism underlying this phenomenon is unclear. Here, we use cryo-electron microscopy to determine the structures of stalled human Pol II elongation complexes (ECs) bound to RECQL5. Our structures reveal the molecular interactions stabilizing RECQL5 binding to the Pol II EC and highlight its role as a transcriptional roadblock. Additionally, we find that, in its nucleotide-free state, RECQL5 twists the downstream DNA in the EC and, upon nucleotide binding, undergoes a conformational change that allosterically induces Pol II toward a post-translocation state. We propose that this mechanism may help restart Pol II elongation and, therefore, contribute to reducing transcription stress.

Biochemistry & Molecular Biology↗
DOE OSTI2021

Iridate Li8IrO 6 : An Antiferromagnetic Insulator

In this work, a polycrystalline iridate Li 8 IrO 6 material was prepared via heating Li 2 O and IrO 2 starting materials in a sealed quartz tube at 650 °C for 48 h. The structure was determined from Rietveld refinement of room-temperature powder neutron diffraction data. Li 8 IrO 6 adopts the nonpolar space group $R\bar{3}$ with Li atoms occupying the tetrahedral and octahedral sites, which is supported by the electron diffraction and solid-state 7Li NMR. This results in a crystal structure consisting of LiO 4 tetrahedral layers alternating with mixed IrO 6 and LiO 6 octahedral layers along the crystallographic c -axis. The +4 oxidation state of Ir 4+ was confirmed by near-edge X-ray absorption spectroscopy. An in situ synchrotron X-ray diffraction study of Li 8 IrO 6 indicates that the sample is stable up to 1000 °C and exhibits no structural transitions. Magnetic measurements suggest long-range antiferromagnetic ordering with a Néel temperature (TN) of 4 K, which is corroborated by heat capacity measurements. The localized effective moment $μ_{\text{eff}}$ (Ir) = 1.73 $μ_{\text{B}}$ and insulating character indicate that Li 8 IrO 6 is a correlated insulator. First-principles calculations support the nonpolar crystal structure and reveal the insulating behavior both in paramagnetic and antiferromagnetic states.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Importance of nuclear quantum effects on the hydration of chloride ion

Path-integral ab initio molecular dynamics (PI-AIMD) calculations have been employed to probe the nature of chloride ion solvation in aqueous solution. Nuclear quantum effects (NQEs) are shown to weaken hydrogen bonding between the chloride anion and the solvation shell of water molecules. As a consequence, the disruptive effect of the anion on the solvent water structure is significantly reduced compared to what is found in the absence of NQEs. Additionally, the chloride hydration structure obtained from PI-AIMD agrees well with information extracted from neutron scattering data. In particular, the observed satellite peak in the hydrogen-chloride-hydrogen triple angular distribution serves as a clear signature of NQEs. The present results suggest that NQEs are likely to play a crucial role in determining the structure of saline solutions.

36 MATERIALS SCIENCE↗
NASA NTRS1921

Analysis of wing truss stresses including the effect of redundancies

Airplane wing trusses are generally designed to contain redundant members (stagger wires and external drag wires) which, according to common practice, are not taken into account in calculations, so as to simplify the stress analysis by rendering the structure statically determinate. A more accurate method, in which the redundancies are included, involves a solution by means of Castigliano's method of least work. For the purpose of demonstrating the practical application of the method of least work this report presents examples for stresses of several cases of loading worked out for a structure similar to that of the Curtiss JN-4h. Case 1 was taken as the condition of velocity of 100 miles per hour combined with the angle of attack of maximum lift. Case 1a assumed the same loading but neglected the distortion of wooden members in the least-work analysis. So little error was involved in case 1a that this simplified method was employed for each succeeding case. Case 2 assumed a diving speed of 120 miles per hour and an angle of attack of no lift. Case 3 was worked out for the conditions imposed by the sand load recommended in NACA technical note no. 6.

Warner, E P↗
DOE OSTI2020

Systems, methods and patches for monitoring a structural health of a connector in overhead transmission lines

Systems, methods and piezoelectric patches are provided for monitoring the structural health of connectors in overhead transmission lines. A plurality of piezoelectric patches is mounted to different locations on the connector. At least one of the patches is actuated using an AC voltage and certain electrical properties either from the same patch or of a different patch are evaluated over time to determine the structural health of the connectors.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Short-range magnetic order and planar anisotropy in the topological ferrimagnet Mn 3 ⁢Si 2 ⁢Te 6

Mn 3 ⁢Si 2 ⁢Te 6 is a ferrimagnetic topological nodal-line semiconductor that exhibits unconventional colossal magnetoresistance behavior, with short-range spin fluctuations being potentially intimately linked to the emergent properties. Here we determine the short-range magnetic order and anisotropy through total neutron scattering and polarized neutron powder diffraction measurements on polycrystalline Mn 3 ⁢Si 2⁢ Te 6 . Strong in-plane anisotropy is quantified on the Mn ions through extraction of the local site susceptibility tensor. Here, the real-space local spin structure is determined through the application of magnetic pair distribution function analysis covering a wide temperature range. Short-range order over a locally frustrated trimer of three nearest neighbors is found to exist well above the long-range ferrimagnetic transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Unsupervised learning approaches to characterizing heterogeneous samples using X-ray single-particle imaging

One of the outstanding analytical problems in X-ray single-particle imaging (SPI) is the classification of structural heterogeneity, which is especially difficult given the low signal-to-noise ratios of individual patterns and the fact that even identical objects can yield patterns that vary greatly when orientation is taken into consideration. Proposed here are two methods which explicitly account for this orientation-induced variation and can robustly determine the structural landscape of a sample ensemble. The first, termed common-line principal component analysis (PCA), provides a rough classification which is essentially parameter free and can be run automatically on any SPI dataset. The second method, utilizing variation auto-encoders (VAEs), can generate 3D structures of the objects at any point in the structural landscape. Both these methods are implemented in combination with the noise-tolerant expand–maximize–compress (EMC) algorithm and its utility is demonstrated by applying it to an experimental dataset from gold nanoparticles with only a few thousand photons per pattern. Both discrete structural classes and continuous deformations are recovered. These developments diverge from previous approaches of extracting reproducible subsets of patterns from a dataset and open up the possibility of moving beyond the study of homogeneous sample sets to addressing open questions on topics such as nanocrystal growth and dynamics, as well as phase transitions which have not been externally triggered.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2015

Method for Real-Time Model Based Structural Anomaly Detection

A system and methods for real-time model based vehicle structural anomaly detection are disclosed. A real-time measurement corresponding to a location on a vehicle structure during an operation of the vehicle is received, and the real-time measurement is compared to expected operation data for the location to provide a modeling error signal. A statistical significance of the modeling error signal to provide an error significance is calculated, and a persistence of the error significance is determined. A structural anomaly is indicated, if the persistence exceeds a persistence threshold value.

Smith, Timothy A.↗
DOE OSTI2021

PDB ‐101: Educational resources supporting molecular explorations through biology and medicine

Abstract The Protein Data Bank (PDB) archive is a rich source of information in the form of atomic‐level three‐dimensional (3D) structures of biomolecules experimentally determined using macromolecular crystallography, nuclear magnetic resonance (NMR) spectroscopy, and electron microscopy (3DEM). Originally established in 1971 as a resource for protein crystallographers to freely exchange data, today PDB data drive research and education across scientific disciplines. In 2011, the online portal PDB‐101 was launched to support teachers, students, and the general public in PDB archive exploration ( pdb101.rcsb.org ). Maintained by the Research Collaboratory for Structural Bioinformatics PDB, PDB‐101 aims to help train the next generation of PDB users and to promote the overall importance of structural biology and protein science to nonexperts. Regularly published features include the highly popular Molecule of the Month series, 3D model activities, molecular animation videos, and educational curricula. Materials are organized into various categories (Health and Disease, Molecules of Life, Biotech and Nanotech, and Structures and Structure Determination) and searchable by keyword. A biennial health focus frames new resource creation and provides topics for annual video challenges for high school students. Web analytics document that PDB‐101 materials relating to fundamental topics (e.g., hemoglobin, catalase) are highly accessed year‐on‐year. In addition, PDB‐101 materials created in response to topical health matters (e.g., Zika, measles, coronavirus) are well received. PDB‐101 shows how learning about the diverse shapes and functions of PDB structures promotes understanding of all aspects of biology, from the central dogma of biology to health and disease to biological energy.

Zardecki, Christine↗
DOE OSTI2020

Structural signatures in EPR3 define a unique class of plant carbohydrate receptors

Abstract Receptor-mediated perception of surface-exposed carbohydrates like lipo- and exo-polysaccharides (EPS) is important for non-self recognition and responses to microbial associated molecular patterns in mammals and plants. In legumes, EPS are monitored and can either block or promote symbiosis with rhizobia depending on their molecular composition. To establish a deeper understanding of receptors involved in EPS recognition, we determined the structure of the Lotus japonicus ( Lotus ) exopolysaccharide receptor 3 (EPR3) ectodomain. EPR3 forms a compact structure built of three putative carbohydrate-binding modules (M1, M2 and LysM3). M1 and M2 have unique βαββ and βαβ folds that have not previously been observed in carbohydrate binding proteins, while LysM3 has a canonical βααβ fold. We demonstrate that this configuration is a structural signature for a ubiquitous class of receptors in the plant kingdom. We show that EPR3 is promiscuous, suggesting that plants can monitor complex microbial communities though this class of receptors.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1985

Improved stud configurations for attaching laminated wood wind turbine blades

A series of bonded stud design configurations was screened on the basis of tension-tension cyclic tests to determine the structural capability of each configuration for joining a laminated wood structure (wind turbine blade) to a steel flange (wind turbine hub). Design parameters which affected the joint strength (ultimate and fatigue) were systematically varied and evaluated through appropriate testing. Two designs showing the most promise were used to fabricate addiate testing. Two designs showing the most promise were used to fabricate additional test specimens to determine ultimate strength and fatigue curves. Test results for the bonded stud designs demonstrated that joint strengths approaching the 10,000 to 12,000 psi ultimate strength and 5000 psi high cycle fatigue strength of the wood epoxy composite could be achieved.

Fadoul, J. R.↗
NASA NTRS1987

Extension of vibrational power flow techniques to two-dimensional structures

In the analysis of the vibration response and structure-borne vibration transmission between elements of a complex structure, statistical energy analysis (SEA) or Finite Element Analysis (FEA) are generally used. However, an alternative method is using vibrational power flow techniques which can be especially useful in the mid- frequencies between the optimum frequency regimes for FEA and SEA. Power flow analysis has in general been used on one-dimensional beam-like structures or between structures with point joints. In this paper, the power flow technique is extended to two-dimensional plate like structures joined along a common edge without frequency or spatial averaging the results, such that the resonant response of the structure is determined. The power flow results are compared to results obtained using FEA at low frequencies and SEA at high frequencies. The agreement with FEA results is good but the power flow technique has an improved computational efficiency. Compared to the SEA results the power flow results show a closer representation of the actual response of the structure.

Cuschieri, J. M.↗
NASA NTRS1987

Power flow analysis of an L-shaped plate structure

In the analysis of the vibration response and structure-borne vibration transmission between elements of a complex structure, statistical energy analysis (SEA) or finite element analysis (FEA) are generally used. However, an alternative method is using vibrational power flow techniques which can be especially useful in the mid frequencies between the optimum frequency regimes for FEA and SEA. Power flow analysis has in general been used on one-dimensional beam-like structures or between structures with point joints. In this paper, the power flow technique is extended to two-dimensional plate like structures joined along a common edge without frequency or spatial averaging the results, such that the resonant response of the structure is determined. The power flow results are compared to results obtained using FEA at low frequencies and SEA at high frequencies. The agreement with FEA results is good but the power flow technique has an improved computational efficiency. Compared to the SEA results the power flow results show a closer representation of the actual response of the structure.

Cuschieri, J. M.↗
NASA NTRS1991

Influence of configuration effects on multiple burst simulation testing

During the initial phase of a lightning strike attachment on an aircraft, fast current pulses (rise time approximately 100 ns, I(sub max) approximately few kA) were measured, which can create equipment upsets or disturbances. This threat, made of repetitive pulses and usually called 'multiple bursts', can be reproduced at the equipment interfaces assuming that the transfer function of the structure was determined. The normalized waveform H (10 kA - 100 ns rise time) is the reference for one of these pulses. The importance of the coaxial return path termination for the injection of the wave H is emphasized. According to the constitutive materials of the test bed, and the adaptation of the line, the natural oscillations of the structure and the internal coupling mechanisms can be modified. As a conclusion, various test configurations in relation with the nature of the test bed and the characteristics of the generator are detailed, for a more accurate ground simulation of the attachment phase.

Emanuely, J. L.↗
DOE OSTI2021

Investigation of porous polydimethylsiloxane structures with tunable properties induced by the phase separation technique

This article reports the fabrication and characterization of porous polydimethylsiloxane (PDMS) structures developed by the solvent evaporationinduced phase separation technique. Here, ternary systems containing water/ tetrahydrofuran (THF)/PDMS with various concentrations are produced to form a stable solution. The porous PDMS structures are formed by removing the solvent (THF) and nonsolvent (water) phases during the stepping heat treatment procedure. The analytical ternary phase diagram is constructed based on the thermodynamic equilibrium state in the polymer solution to explain the stable/unstable formulations and the possible composition change path. The results show that the isolated pores with the adjustable pore size ranging from 330 to 1900 μm are obtained by tuning the water to the THF ratio. The mechanical properties of the porous PDMS structures are determined by conducting the tensile tests on the prepared dog bone-shaped specimens. A wide range of elastic modulus ranging between 0.49 and 1.05 MPa was achieved without affecting the density of the porous sample by adjusting the solvent and non-solvent content in the solution. It is shown that the flexibility of the porous structures can be improved by reducing the ratio of water to THF and decreasing the PDMS content. The porosity measurements reveal that the PDMS concentration is the major phase controlling the porosity of the structure, while the effect of water/THF is negligible.

42 ENGINEERING↗
DOE OSTI2022

G4Boost: a machine learning-based tool for quadruplex identification and stability prediction

Background: G-quadruplexes (G4s), formed within guanine-rich nucleic acids, are secondary structures involved in important biological processes. Although every G4 motif has the potential to form a stable G4 structure, not every G4 motif would, and accurate energy-based methods are needed to assess their structural stability. Here, we present a decision tree-based prediction tool, G4Boost, to identify G4 motifs and predict their secondary structure folding probability and thermodynamic stability based on their sequences, nucleotide compositions, and estimated structural topologies. Results: G4Boost predicted the quadruplex folding state with an accuracy greater then 93% and an F1-score of 0.96, and the folding energy with an RMSE of 4.28 and R 2 of 0.95 only by the means of sequence intrinsic feature. G4Boost was successfully applied and validated to predict the stability of experimentally-determined G4 structures, including for plants and humans. Conclusion: G4Boost outperformed the three machine-learning based prediction tools, DeepG4, Quadron, and G4RNA Screener, in terms of both accuracy and F1-score, and can be highly useful for G4 prediction to understand gene regulation across species including plants and humans.

59 BASIC BIOLOGICAL SCIENCES↗