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At least 397 records · Page 22

Evidence of gravity wave saturation and local turbulence production in the summer mesosphere and lower thermosphere during the STATE experiment

This study utilizes the unique data set obtained during the Structure and Atmospheric Turbulence Environment (STATE) experiment, conducted during June 1983 at Poker Flat, Alaska, to examine the structure and characteristics of the wave field near the summer mesopause. It is shown that the rocket and radar data together permit a much more detailed specification of wave parameters than would be possible using either data set alone. The results of this analysis suggest that the wave field near the summer mesopause is composed, in general, of a superposition of wave motions which act collectively to produce regions in which the wave field is convectively or dynamically unstable. These regions are found to correlate well with zones of enhanced turbulence and small-scale wave activity, suggesting the processes and effects of wave field saturation.

Fritts, David C.↗

Advanced Gas Turbine (AGT) powertrain system development for automotive applications

Rotor dynamic instability investigations were conducted. Forward ball bearing hydraulic mount configurations were tested with little effect. Trial assembly of S/N 002 ceramic engine was initiated. Impeller design activities were completed on the straight line element (SLE) blade definition to address near-net-shape powder metal die forging. Performance characteristics of the Baseline Test 2A impeller were closely preserved. The modified blading design has been released for tooling procurement. Developmental testing of the diffusion flame combustor (DFC) for initial use in the S/N 002 2100 F ceramic structures engine was completed. A natural gas slave preheater was designed and fabricated. Preliminary regenerator static seal rig testing showed a significant reduction in leakage and sensitivity to stack height. Ceramic screening tests were completed and two complete sets of ceramic static structures were qualified for engine testing. Efforts on rotor dynamics development to resolve subsynchronous motion were continued.

Source record↗

Overview of density pedestal structure: Role fueling versus transport

How much of the density pedestal structure profile is determined by fueling versus transport is still a valid question. In most current tokamaks, the Scrape-Off Layer is not opaque enough to screen the neutrals and limit their penetration past the separatrix. As such recycled neutrals as well as additional gas puffing can directly affect the pedestal structure through ionization. Yet, in ITER and other future burning plasma magnetic confinement devices, this ionization source will be pushed further out into the Scrape-Off Layer. This poses the question, how much of the pedestal density structure is governed by this edge ionization source versus plasma transport effects. Theoretically, several turbulent modes have been identified which could provide a 'pinch' like up-gradient transport mechanism. Up-gradient transport is necessary in a source-free region to obtain a peaked density profile, which is often observed in the core of tokamaks. In an opaque Scrape-Off Layer, without the existence of such a pinch, the pedestal density structure would eventually disappear. Not only would this limit our ability to fuel a fusion reactor, it would also affect the pedestal stability. In this paper we will give an overview of the state of the art on what sets the pedestal density structure based on experimental observations as well as theoretical models. We will complement these studies with new results from Alcator C-Mod and DIII-D where the opaqueness is increased to reach values similar to those in ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Vibrational processing of a dynamic structural flight system: A multichannel spectral estimation approach

Dynamic testing of large flight vehicles (rockets) is not only complex, but also can be very costly. These flights are infrequent and can lead to disastrous effects if something were to fail during the flight. The development of sensors coupled to internal components offers a great challenge in reducing their size, yet still maintaining their precision. Sounding rockets provide both a viable and convenient alternative to the more costly vehicular flights. Some of the major objectives are to test various types of sensors for monitoring components of high interest as well as investigating real-time processing techniques. Signal processing presents an extreme challenge in this noisy multichannel environment. The estimation and tracking of modal frequencies from vibrating structures is an important set of features that can provide information about the components under test; therefore, high resolution multichannel spectral processing is required. Finally, the application of both single channel and multichannel techniques capable of producing reliable modal frequency estimates of a vibrating structure from uncertain accelerometer measurements is discussed.

42 ENGINEERING↗

Deep Green: Structural and Functional Genomic Characterization of Conserved Unannotated Green Lineage Proteins

Our overall objective is to improve and increase functional and structural predictions for a growing number of plant proteins of unknown structure and function (the Deep Green proteins), and to make our predictive data useful and accessible to the larger research community. The project is divided into five major objectives which include 1) Assembly and curation of Deep Green candidate protein sets; 2) in silico structural and functional predictions and network analyses; 3) assembly and validation of reverse genetic resources in Chlamydomonas reinhardtii (Chlamydomonas); 4) high throughput functional genomics characterization and prioritization in Chlamydomonas; and 5) structural validation of selected candidates and functional validation in two important reference plant species, Arabidopsis thaliana (Arabidopsis) and Setaria viridis (Setaria).

59 BASIC BIOLOGICAL SCIENCES↗

Flow Control Analysis on the Hump Model with RANS Tools

A concerted effort is underway at NASA Langley Research Center to create a benchmark for Computational Fluid Dynamic (CFD) codes. both unstructured and structured, against a data set for the hump model with actuation. The hump model was tested in the NASA Langley 0.3-m Transonic Cryogenic Tunnel. The CFD codes used for the analyses are the FUN2D (Full Unstructured Navier-Stokes 2-Dimensional) code, the structured TLNS3D (Thin-Layer Navier-Stokes 3-Dimensional) code, and the structured CFL3D code, all developed at NASA Langley. The current investigation uses the time-accurate Reynolds-Averaged Navier-Stokes (RANS) approach to predict aerodynamic performance of the active flow control experimental database for the hump model. Two-dimensional computational results verified that steady blowing and suction and oscillatory suction/blowing can be used to significantly reduce the separated flow region on the model. Discrepancies do exist between the CFD results and experimental data in the region downstream of the slot with the largest differences in the oscillatory cases. Overall, the structured CFD codes exhibited similar behavior with each other for a wide range of control conditions, with the unstructured FUN2D code showing moderately different results in the separated flow region for the suction and oscillatory cases.

Viken, Sally A.↗

Uncertainty and Intelligence in Computational Stochastic Mechanics

Classical structural reliability assessment techniques are based on precise and crisp (sharp) definitions of failure and non-failure (survival) of a structure in meeting a set of strength, function and serviceability criteria. These definitions are provided in the form of performance functions and limit state equations. Thus, the criteria provide a dichotomous definition of what real physical situations represent, in the form of abrupt change from structural survival to failure. However, based on observing the failure and survival of real structures according to the serviceability and strength criteria, the transition from a survival state to a failure state and from serviceability criteria to strength criteria are continuous and gradual rather than crisp and abrupt. That is, an entire spectrum of damage or failure levels (grades) is observed during the transition to total collapse. In the process, serviceability criteria are gradually violated with monotonically increasing level of violation, and progressively lead into the strength criteria violation. Classical structural reliability methods correctly and adequately include the ambiguity sources of uncertainty (physical randomness, statistical and modeling uncertainty) by varying amounts. However, they are unable to adequately incorporate the presence of a damage spectrum, and do not consider in their mathematical framework any sources of uncertainty of the vagueness type. Vagueness can be attributed to sources of fuzziness, unclearness, indistinctiveness, sharplessness and grayness; whereas ambiguity can be attributed to nonspecificity, one-to-many relations, variety, generality, diversity and divergence. Using the nomenclature of structural reliability, vagueness and ambiguity can be accounted for in the form of realistic delineation of structural damage based on subjective judgment of engineers. For situations that require decisions under uncertainty with cost/benefit objectives, the risk of failure should depend on the underlying level of damage and the uncertainties associated with its definition. A mathematical model for structural reliability assessment that includes both ambiguity and vagueness types of uncertainty was suggested to result in the likelihood of failure over a damage spectrum. The resulting structural reliability estimates properly represent the continuous transition from serviceability to strength limit states over the ultimate time exposure of the structure. In this section, a structural reliability assessment method based on a fuzzy definition of failure is suggested to meet these practical needs. A failure definition can be developed to indicate the relationship between failure level and structural response. In this fuzzy model, a subjective index is introduced to represent all levels of damage (or failure). This index can be interpreted as either a measure of failure level or a measure of a degree of belief in the occurrence of some performance condition (e.g., failure). The index allows expressing the transition state between complete survival and complete failure for some structural response based on subjective evaluation and judgment.

Ayyub, Bilal M.↗

Using Gaussian windows to explore a multivariate data set

In an earlier paper, I recounted an exploratory analysis, using Gaussian windows, of a data set derived from the Infrared Astronomical Satellite. Here, my goals are to develop strategies for finding structural features in a data set in a many-dimensional space, and to find ways to describe the shape of such a data set. After a brief review of Gaussian windows, I describe the current implementation of the method. I give some ways of describing features that we might find in the data, such as clusters and saddle points, and also extended structures such as a 'bar', which is an essentially one-dimensional concentration of data points. I then define a distance function, which I use to determine which data points are 'associated' with a feature. Data points not associated with any feature are called 'outliers'. I then explore the data set, giving the strategies that I used and quantitative descriptions of the features that I found, including clusters, bars, and a saddle point. I tried to use strategies and procedures that could, in principle, be used in any number of dimensions.

Jaeckel, Louis A.↗

Tools and Data Services from the NASA Earth Satellite Observations for Climate Applications

Climate science and applications require access to vast amounts of archived high quality data, software tools and services for data manipulation and information extraction. These on the other hand require gaining detailed understanding of the data's internal structure and physical implementation to data reduction, combination and data product production. This time-consuming task must be undertaken before the core investigation can begin and is an especially difficult challenge when science objectives require users to deal with large multi-sensor data sets of different formats, structures, and resolutions. In order to address these issues the Goddard Space Flight Center (GSFC) Earth Sciences (GES), Data and Information Service Center (DISC) Distributed Active Archive Center (DAAC) has made great progress in facilitating science and applications research by developing innovative tools and data services applied to the Earth sciences atmospheric and climate data. The GES/DISC/DAAC has successfully implemented and maintained a long-term climate satellite data archive and developed tools and services to a variety of atmospheric science missions including AIRS, AVHRR, MODIS, SeaWiFS, SORCE, TOMS, TOVS, TRMM, and UARS and Aura instruments providing researchers with excellent opportunities to acquire accurate and continuous atmospheric measurements. Since the number of climate science products from these various missions is steadily increasing as a result of more sophisticated sensors and new science algorithms, the main challenge for data centers like the GES/DISC/DAAC is to guide users through the variety of data sets and products, provide tools to visualize and reduce the volume of the data and secure uninterrupted and reliable access to data and related products. This presentation will describe the effort at the GES/DISC/DAAC to build a bridge between multi-sensor data and the effective scientific use of the data, with an emphasis on the heritage satellite observations and science products for climate applications. The intent is to inform users of the existence of this large collection of data and products; suggest starting points for cross-platform science projects and data mining activities and provide data services and tools information. More information about the GES/DISC/DAAC satellite data and products, tools, and services can be found at http://daac.gsfc.nasa.gov.

Vicente, Gilberto A.↗

Systems design and analysis of the microwave radiometer spacecraft

Systems design and analysis data were generated for microwave radiometer spacecraft concept using the Large Advanced Space Systems (LASS) computer aided design and analysis program. Parametric analyses were conducted for perturbations off the nominal-orbital-altitude/antenna-reflector-size and for control/propulsion system options. Optimized spacecraft mass, structural element design, and on-orbit loading data are presented. Propulsion and rigid-body control systems sensitivities to current and advanced technology are established. Spacecraft-induced and environmental effects on antenna performance (surface accuracy, defocus, and boresight off-set) are quantified and structured material frequencies and modal shapes are defined.

Garrett, L. B.↗

First M87 Event Horizon Telescope Results. VII. Polarization of the Ring

In 2017 April, the Event Horizon Telescope (EHT) observed the near-horizon region around the supermassive black hole at the core of the M87 galaxy. These 1.3 mm wavelength observations revealed a compact asymmetric ring-like source morphology. This structure originates from synchrotron emission produced by relativistic plasma located in the immediate vicinity of the black hole. Here we present the corresponding linear-polarimetric EHT images of the center of M87. We find that only a part of the ring is significantly polarized. The resolved fractional linear polarization has a maximum located in the southwest part of the ring, where it rises to the level of ~15%. The polarization position angles are arranged in a nearly azimuthal pattern. We perform quantitative measurements of relevant polarimetric properties of the compact emission and find evidence for the temporal evolution of the polarized source structure over one week of EHT observations. The details of the polarimetric data reduction and calibration methodology are provided. We carry out the data analysis using multiple independent imaging and modeling techniques, each of which is validated against a suite of synthetic data sets. The gross polarimetric structure and its apparent evolution with time are insensitive to the method used to reconstruct the image. These polarimetric images carry information about the structure of the magnetic fields responsible for the synchrotron emission. Their physical interpretation is discussed in an accompanying publication.

79 ASTRONOMY AND ASTROPHYSICS↗

Tools and Data Services from the NASA Earth Satellite Observations for Remote Sensing Commercial Applications

Several commercial applications of remote sensing data, such as water resources management, environmental monitoring, climate prediction, agriculture, forestry, preparation for and migration of extreme weather events, require access to vast amounts of archived high quality data, software tools and services for data manipulation and information extraction. These on the other hand require gaining detailed understanding of the data's internal structure and physical implementation of data reduction, combination and data product production. The time-consuming task must be undertaken before the core investigation can begin and is an especially difficult challenge when science objectives require users to deal with large multi-sensor data sets of different formats, structures, and resolutions.

Vicente, Gilberto↗

Titanium-in-Quartz Geothermometry of Impactites and Peak-Ring Lithologies from the Chicxulub Impact Crater

Since its development by Wark and Watson (2006), the Ti-in-quartz geothermometer (TitaniQ) has been continuously refined and applied to a variety of lithologies from different crustal settings. Assuming quartz crystallized and incorporated Ti under equilibrium conditions and providing TiO2 activity (alpha (sub TiO2)) is reasonably constrained, crystallization temperatures at typical crustal pressures can be calculated. In turn, when crystallization temperatures are independently constrained, Ti-in-quartz can be used as a geobarometer. Here we explore the application of this technique to impact lithologies. Quartz is ubiquitous in terrestrial impact structures in upper crustal settings and can also form as a post-impact hydrothermal mineral. Together with other geothermometers, such as Ti-in-zircon, Ti-in-quartz can potentially help constrain the temperature-pressure conditions during the formation of the pre-impact target rock at terrestrial impact structures, as well as impact-produced and hydrothermally-altered lithologies. This work presents the first systematic Ti-in-quartz study of impactites and granitoid target rocks from the approximately180-kilometer-diameter, end-Cretaceous Chicxulub crater on the Yucatan Peninsula, Mexico, thereby placing new constraints on the emplacement of felsic plutons within the Maya Block in the Paleozoic, impact melt crystallization at approximately 66 Ma (million years ago), and post-impact hydrothermal overprint inside the Chicxulub crater.

Schmieder, Martin↗

FAST.Farm Development and Validation of Structural Load Prediction Against Large Eddy Simulations

FAST.Farm is a mid-fidelity engineering tool developed by the National Renewable Energy Laboratory targeted at accurately and efficiently predicting wind turbine power production and structural loading in wind farm settings, including wake interactions between turbines. FAST.Farm is based on several principles of the dynamic wake meandering (DWM) model, but also addresses limitations of previous DWM implementations. Previous FAST.Farm studies have shown the similarities and differences between FAST.Farm and large eddy simulations for rigid turbine cases. The objective of this work is to quantify the ability of FAST.Farm to accurately predict turbine structural response in a small wind farm. This is done by comparing FAST.Farm structural response to SOWFA-OpenFAST results for three laterally-aligned turbines. The purpose of this study is to characterize the similarities and differences between FAST.Farm and a higher fidelity model for predicting turbine structural response in a wind farm for differing atmospheric inflows. Strong statistical agreement was found between FAST.Farm and SOWFA-OpenFAST structural response for the non-waked upstream turbine, and good agreement was found for the downstream turbines for most structural quantities. Higher differences were seen for downstream turbines with low ambient turbulence intensity or yawed turbines, suggesting areas for FAST.Farm wake dynamics modeling improvements. For all cases and turbines, small statistical differences were seen between blade deflections and bending moments, with larger differences for tower-top and tower-base bending moments. Overall, the results establish confidence for applying FAST.Farm to wind farm power and loads analyses and identify areas where further model validations and model improvements should be targeted.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

A decay database of coincident γ–γ and γ–X -ray branching ratios for in-field spectroscopy applications

Current fieldable spectroscopy techniques often use single detector systems heavily impacted by interferences from intense background radiation fields. These effects result in low-confidence measurements that can lead to misinterpretation of the collected spectrum. To help improve interpretation of the fission products and short-lived radionuclides produced in a composite sample, a coincidence-database is being developed in support of a robust portable and X-ray coincidence detector system concurrently under development at the Pacific Northwest National Laboratory for in-field deployment. Hitherto, no database exists containing coincident γ–γ and γ–X-ray branching-ratio intensities on an absolute scale that will greatly enhance isotopic identification for in-field applications. As part of this project, software has been developed to parse all radioactive-decay data sets from the Evaluated Nuclear Structure Data File (ENSDF) archive to enable translation into a more useful JavaScript Object Notation (JSON) formats that more readily supports query-based data manipulation. The coincident database described in this work is the first of its kind and contains coincidence γ–γ and γ–X-ray intensities and their corresponding uncertainties, together with auxiliary metadata associated with each decay data set. The new JSON format provides a convenient and portable means of data storage that can be imported into analysis frameworks with relatively low overhead allowing for meaningful comparison with measured data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Intrinsic glassy-metallic transport in an amorphous coordination polymer

Conducting organic materials, such as doped organic polymers, molecular conductors and emerging coordination polymers4, underpin technologies ranging from displays to flexible electronics. Realizing high electrical conductivity in traditionally insulating organic materials necessitates tuning their electronic structure through chemical doping6. Furthermore, even organic materials that are intrinsically conductive, such as single-component molecular conductors, require crystallinity for metallic behavior. However, conducting polymers are often amorphous to aid durability and processability. Using molecular design to produce high conductivity in undoped amorphous materials would enable tunable and robust conductivity in many applications, but there are no intrinsically conducting organic materials that maintain high conductivity when disordered. Here we report an amorphous coordination polymer, Ni tetrathiafulvalene tetrathiolate, which displays markedly high electronic conductivity (up to 1,200 S cm –1 ) and intrinsic glassy-metallic behavior. Theory shows that these properties are enabled by molecular overlap that is robust to structural perturbations. This unusual set of features results in high conductivity that is stable to humid air for weeks, pH 0–14 and temperatures up to 140 °C. Furthermore, these findings demonstrate that molecular design can enable metallic conductivity even in heavily disordered materials, raising fundamental questions about how metallic transport can exist without periodic structure and indicating exciting new applications for these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

QuantumScents: Quantum-Mechanical Properties for 3.5k Olfactory Molecules

Quantitative structure–odor relationships are critically important for studies related to the function of olfaction. Current literature data sets contain expert-labeled molecules but lack feature data. This paper introduces QuantumScents, a quantum mechanics augmented derivative of the Leffingwell data set. QuantumScents contains 3.5k structurally and chemically diverse molecules ranging from 2 to 30 heavy atoms (CNOS) and their corresponding 3D coordinates, total PBE0 energy, molecular dipole moment, and per-atom Hirshfeld charges, dipoles, and ratios. The authors demonstrate that Hirshfeld charges and ratios contain sufficient information to perform molecular classification by training a Message Passing Neural Network with chemprop (Heid, E.; et al. ChemRxiv, 2023, DOI: 10.26434/chemrxiv-2023-3zcfl) to predict scent labels. Finally, the QuantumScents data set is freely available on Zenodo along with the authors’ code, example models, and data set generation workflow (https://zenodo.org/doi/10.5281/zenodo.8239853).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparative Assessment of Pose Prediction Accuracy in RNA–Ligand Docking

Structure-based virtual high-throughput screening is used in early-stage drug discovery. Over the years, docking protocols and scoring functions for protein–ligand complexes have evolved to improve the accuracy in the computation of binding strengths and poses. In the past decade, RNA has also emerged as a target class for new small-molecule drugs. However, most ligand docking programs have been validated and tested for proteins and not RNA. Here, we test the docking power (pose prediction accuracy) of three state-of-the-art docking protocols on 173 RNA–small molecule crystal structures. The programs are AutoDock4 (AD4) and AutoDock Vina (Vina), which were designed for protein targets, and rDock, which was designed for both protein and nucleic acid targets. AD4 performed relatively poorly. For RNA targets for which a crystal structure of a bound ligand used to limit the docking search space is available and for which the goal is to identify new molecules for the same pocket, rDock performs slightly better than Vina, with success rates of 48% and 63%, respectively. However, in the more common type of early-stage drug discovery setting, in which no structure of a ligand–target complex is known and for which a larger search space is defined, rDock performed similarly to Vina, with a low success rate of ~27%. Further, Vina was found to have bias for ligands with certain physicochemical properties, whereas rDock performs similarly for all ligand properties. Thus, for projects where no ligand–protein structure already exists, Vina and rDock are both applicable. However, the relatively poor performance of all methods relative to protein–target docking illustrates a need for further methods refinement.

59 BASIC BIOLOGICAL SCIENCES↗