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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Comprehensive characterization of the structure of Zr-based metallic glasses

Structure of metallic glasses fascinates as the generic amorphous structural template for ubiquitous systems. Its specification necessitates determination of the complete hierarchical structure, starting from short-range-order (SRO) → medium-range-order (MRO) → bulk structure and free volume (FV) distribution. This link has largely remained elusive since previous investigations adopted one-technique-at-a-time approach, focusing on limited aspects of any one domain. Reconstruction of structure from experimental data inversion is non-unique for many of these techniques. As a result, complete and precise structural understanding of glass has not emerged yet. In this work, we demonstrate the first experimental pathway for reconstruction of the integrated structure, for and glasses. Our strategy engages diverse (×7) multi-scale techniques [XAFS, 3D-APT, ABED/NBED, FEM, XRD, PAS, FHREM] on the same glass. This strategy complemented mutual limitations of techniques and corroborated common parameters to generate complete, self-consistent and precise parameters. Further, MRO domain size and inter-void separation were correlated to identify the presence of FV at MRO boundaries. This enabled the first experimental reconstruction of hierarchical subset: SRO → MRO → FV → bulk structure. The first ever image of intermediate region between MRO domains emerged from this link. We clarify that determination of all subsets is not our objective; the essence and novelty of this work lies in directing the pathway towards finite solution, in the most logical and unambiguous way.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Observation of Kolmogorov turbulence due to multiscale vortices in dusty plasma experiments

We report the experimental observation of fully developed Kolmogorov turbulence originating from self-excited vortex flows in a three-dimensional (3D) dust cloud. The characteristic -5/3 scaling of 3D Kolmogorov turbulence is consistent in both the spatial and temporal energy spectra within a statistical variation of experimental data. Additionally, the 2/3 scaling in the second-order structure function further supports the presence of Kolmogorov turbulence. We also identified a slight deviation in the tails of the probability distribution functions for velocity gradients, a reflection of intermittency. The experiment showed the formation of a dust cloud in the diffused plasma region away from the electrodes. The dust rotation was observed in multiple experimental campaigns under different discharge conditions at different spatial locations and background plasma environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Clusterdv: a simple density-based clustering method that is robust, general and automatic

Abstract Motivation How to partition a dataset into a set of distinct clusters is a ubiquitous and challenging problem. The fact that data vary widely in features such as cluster shape, cluster number, density distribution, background noise, outliers and degree of overlap, makes it difficult to find a single algorithm that can be broadly applied. One recent method, clusterdp, based on search of density peaks, can be applied successfully to cluster many kinds of data, but it is not fully automatic, and fails on some simple data distributions. Results We propose an alternative approach, clusterdv, which estimates density dips between points, and allows robust determination of cluster number and distribution across a wide range of data, without any manual parameter adjustment. We show that this method is able to solve a range of synthetic and experimental datasets, where the underlying structure is known, and identifies consistent and meaningful clusters in new behavioral data. Availability and implementation The clusterdv is implemented in Matlab. Its source code, together with example datasets are available on: https://github.com/jcbmarques/clusterdv. Supplementary information Supplementary data are available at Bioinformatics online.

Marques, João C.↗
DOE OSTI2021

NP-MRD: the Natural Products Magnetic Resonance Database

The Natural Products Magnetic Resonance Database (NP-MRD) is a comprehensive, freely available electronic resource for the deposition, distribution, searching and retrieval of nuclear magnetic resonance (NMR) data on natural products, metabolites and other biologically derived chemicals. NMR spectroscopy has long been viewed as the ‘gold standard’ for the structure determination of novel natural products and novel metabolites. NMR is also widely used in natural product dereplication and the characterization of biofluid mixtures (metabolomics). All of these NMR applications require large collections of high quality, well-annotated, referential NMR spectra of pure compounds. Unfortunately, referential NMR spectral collections for natural products are quite limited. It is because of the critical need for dedicated, open access natural product NMR resources that the NP-MRD was funded by the National Institute of Health (NIH). Since its launch in 2020, the NP-MRD has grown quickly to become the world's largest repository for NMR data on natural products and other biological substances. It currently contains both structural and NMR data for nearly 41,000 natural product compounds from >7400 different living species. All structural, spectroscopic and descriptive data in the NP-MRD is interactively viewable, searchable and fully downloadable in multiple formats. Extensive hyperlinks to other databases of relevance are also provided. The NP-MRD also supports community deposition of NMR assignments and NMR spectra (1D and 2D) of natural products and related meta-data. The deposition system performs extensive data enrichment, automated data format conversion and spectral/assignment evaluation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A Surface Exposed, Two-Domain Lipoprotein Cargo of a Type XI Secretion System Promotes Colonization of Host Intestinal Epithelia Expressing Glycans

The only known required component of the newly described Type XI secretion system (TXISS) is an outer membrane protein (OMP) of the DUF560 family. TXISS OMPs are broadly distributed across proteobacteria, but properties of the cargo proteins they secrete are largely unexplored. We report biophysical, histochemical, and phenotypic evidence that Xenorhabdus nematophila NilC is surface exposed. Biophysical data and structure predictions indicate that NilC is a two-domain protein with a C-terminal, 8-stranded β-barrel. This structure has been noted as a common feature of TXISS effectors and may be important for interactions with the TXISS OMP . The NilC N-terminal domain is more enigmatic, but our results indicate it is ordered and forms a β-sheet structure, and bioinformatics suggest structural similarities to carbohydrate-binding proteins. X. nematophila NilC and its presumptive TXISS OMP partner NilB are required for colonizing the anterior intestine of Steinernema carpocapsae nematodes: the receptacle of free-living, infective juveniles and the anterior intestinal cecum (AIC) in juveniles and adults. We show that, in adult nematodes, the AIC expresses a Wheat Germ Agglutinin (WGA)-reactive material, indicating the presence of N-acetylglucosamine or N-acetylneuraminic acid sugars on the AIC surface. A role for this material in colonization is supported by the fact that exogenous addition of WGA can inhibit AIC colonization by X. nematophila. Conversely, the addition of exogenous purified NilC increases the frequency with which X. nematophila is observed at the AIC, demonstrating that abundant extracellular NilC can enhance colonization. NilC may facilitate X. nematophila adherence to the nematode intestinal surface by binding to host glycans, it might support X. nematophila nutrition by cleaving sugars from the host surface, or it might help protect X. nematophila from nematode host immunity. Proteomic and metabolomic analyses of wild type X. nematophila compared to those lacking nilB and nilC revealed differences in cell wall and secreted polysaccharide metabolic pathways. Additionally, purified NilC is capable of binding peptidoglycan, suggesting that periplasmic NilC may interact with the bacterial cell wall. Overall, these findings support a model that NilB-regulated surface exposure of NilC mediates interactions between X. nematophila and host surface glycans during colonization. This is a previously unknown function for a TXISS.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1974

Electrical conductivity of lunar surface rocks - Laboratory measurements and implications for lunar interior temperatures

Results are reported for laboratory measurements of the dc and low-frequency ac electrical conductivity of three lunar rocks with ferrous iron contents of 5 to 26 wt %. The measurements were made at temperatures ranging from 20 to 1000 C, and Mossbauer spectroscopy was used to determine the dependence of electrical conductivity on furnace atmosphere. It is found that the magnitude of electrical conductivity generally increases with increasing iron content. A comparison of the data on these samples with data on terrestrial olivines and pyroxenes shows that the electrical conductivity of anhydrous silicate minerals is influenced primarily by the concentration, oxidation state, and distribution of iron, while the silicate crystal structure is only of secondary importance. Lunar interior temperatures are deduced from experimental lunar conductivity profiles, and the resulting temperature-depth profiles are found to be consistent with those calculated for two different lunar evolutionary models as well as with various experimental constraints.

Schwerer, F. C.↗
NASA NTRS1979

Galactic distribution of Cepheids between l of approximately 294 and 331 deg

Previous observations of long-period Cepheids in the Crux-Centaurus-Circinus-Norma (CCCN) region (bounded by galactic longitudes of approximately 294 and 331 deg) are used to delineate spiral features that are consistent with available data for other spiral tracers, especially H I gas. The galactic distribution of the long-period Cepheids in the CCCN region is examined, and a possible interpretation of the spiral structure as viewed in the CCCN region is suggested. Specifically, it is concluded that: (1) the region that is often called the Centaurus link contains no Cepheids with periods longer than 11.25 days and may be part of a spiral feature characterized by older Population I material; (2) long-period Cepheids at large distances (4 kpc) are concentrated near 307 deg galactic longitude and are probably associated with the 'inner arm' identified by Kraft (1965); and (3) the velocities of the observed Cepheids differ significantly from the predictions of the Schmidt (1965) model.

Grayzeck, E. J.↗
NASA NTRS1986

Clump 1 - An unusual molecular cloud complex near the Galactic center

The properties of the (C-12)O and (C-13)O emission from Clump I, a complex of molecular clouds which shows the largest noncircular velocities of any molecular material known in the Milky Way, are studied. Observations of the J = 1-0 rotational transitions of the above molecules are reported, and the large-scale distribution and kinematics of the molecular gas in the direction of Clump I are discussed. The small-scale structure is described based on one arcmin resolution of (C-13)O data. Physical properties of the molecular material are derived, and the dynamics of the Clump I clouds are discussed in the context of their stability against Galactic tidal forces. It is concluded that all the clouds in the complex are gravitationally bound, although their outer envelopes may be tidally disrupted by the Galactic potential. The relative motion of the clouds is qualitatively similar to giant molecular cloud complexes in spiral arms of the outer Galactic disk, but the velocities are higher.

Bania, T. M.↗
NASA NTRS1988

Galaxy and cluster redshift surveys

The present evaluation of galaxy and cluster redshift surveys gives attention to the CfA redshift survey and a deep Abell cluster redshift survey. These data support a structure in which galaxies lie on thin sheets which nearly surround vast, low-density voids. Voids such as that in Bootes are a common feature of galaxy distribution, posing a serious challenge for models. The Huchra et al. (1988) deep-cluster survey exhibits a correlation function amplitude that is a factor of about 2 smaller than that of the earlier Bahcall and Soneira (1983) sample; the difference may not be significant, however, because the cluster samples are sufficiently small to be dominated by single systems.

Geller, Margaret J.↗
NASA NTRS1992

The design and implementation of a parallel unstructured Euler solver using software primitives

This paper is concerned with the implementation of a three-dimensional unstructured grid Euler-solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data structure has been adopted, and a number of optimizations have been devised and implemented in order to accelerate the parallel communication rates. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code, while providing a basis for future automatic run-time compilation support. Large practical unstructured grid problems are solved on the Intel iPSC/860 hypercube and Intel Touchstone Delta machine. The quantitative effect of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of three performance improvement. The overall solution efficiency is compared with that obtained on the CRAY-YMP vector supercomputer.

Das, R.↗
NASA NTRS1993

Symmetry in polarimetric remote sensing

Relationships among polarimetric backscattering coefficients are derived from the viewpoint of symmetry groups. For both reciprocal and non-reciprocal media, symmetry encountered in remote sensing due to reflection, rotation, azimuthal, and centrical symmetry groups is considered. The derived properties are general and valid to all scattering mechanisms, including volume and surface scatterings and their interactions, in a given symmetrical configuration. The scattering coefficients calculated from theoretical models for layer random media and rough surfaces are shown to obey the symmetry relations. Use of symmetry properties in remote sensing of structural and environmental responses of scattering media is also discussed. Orientations of spheroidal scatterers described by spherical, uniform, planophile, plagiothile, erectophile, and extremophile distributions are considered to derive their polarimetric backscattering characteristics. These distributions can be identified from the observed scattering coefficients by comparison with theoretical symmetry calculations. A new parameter is then defined to study scattering structures in geophysical media. Observations from polarimetric data acquired by the Jet Propulsion Laboratory airborne synthetic aperture radar over forests, sea ice, and sea surface are presented. Experimental evidences of the symmetry relationships are shown and their use in polarimetric remote sensing is illustrated. For forests, the coniferous forest in Mt. Shasta area (California) and mixed forest near Presque Isle (Maine) exhibit characteristics of the centrical symmetry at C-band. For sea ice in the Beaufort Sea, multi-year sea ice has a cross-polarized ratio e close to e(sub 0), calculated from symmetry, due to the randomness in the scattering structure. First-year sea ice has e much smaller than e(sub 0) due to the preferential alignment of the columnar structure of the ice. From polarimetric data of a sea surface in the Bering Sea, it is observed that e and e(sub 0) are increasing with incident angle and e is greater than e(sub 0) at L-band because of the directional feature of sea surface waves. Symmetry properties of geophysical media can also be used to calibrate polarimetric radars.

Nghiem, S. V.↗
NASA NTRS1994

Evaluation of the fuselage lap joint fatigue and terminating action repair

Terminating action is a remedial repair which entails the replacement of shear head countersunk rivets with universal head rivets which have a larger shank diameter. The procedure was developed to eliminate the risk of widespread fatigue damage (WFD) in the upper rivet row of a fuselage lap joint. A test and evaluation program has been conducted by Foster-Miller, Inc. (FMI) to evaluate the terminating action repair of the upper rivet row of a commercial aircraft fuselage lap splice. Two full scale fatigue tests were conducted on fuselage panels using the growth of fatigue cracks in the lap joint. The second test was performed to evaluate the effectiveness of the terminating action repair. In both tests, cyclic pressurization loading was applied to the panels while crack propagation was recorded at all rivet locations at regular intervals to generate detailed data on conditions of fatigue crack initiation, ligament link-up, and fuselage fracture. This program demonstrated that the terminating action repair substantially increases the fatigue life of a fuselage panel structure and effectively eliminates the occurrence of cracking in the upper rivet row of the lap joint. While high cycle crack growth was recorded in the middle rivet row during the second test, failure was not imminent when the test was terminated after cycling to well beyond the service life. The program also demonstrated that the initiation, propagation, and linkup of WFD in full-scale fuselage structures can be simulated and quantitatively studied in the laboratory. This paper presents an overview of the testing program and provides a detailed discussion of the data analysis and results. Crack distribution and propagation rates and directions as well as frequency of cracking are presented for both tests. The progression of damage to linkup of adjacent cracks and to eventual overall panel failure is discussed. In addition, an assessment of the effectiveness of the terminating action repair and the occurrence of cracking in the middle rivet row is provided, and conclusions of practical interest are drawn.

Samavedam, Gopal↗
NASA NTRS1994

Design and implementation of a parallel unstructured Euler solver using software primitives

This paper is concerned with the implementation of a three-dimensional unstructured-grid Euler solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data structure has been adopted, and a number of optimizations have been devised and implemented to accelerate the parallel computational rates. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code, while providing a basis for future automatic run-time compilation support. Large practical unstructured grid problems are solved on the Intel iPSC/860 hypercube and Intel Touchstone Delta machine. The quantitative effects of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of 3 performance improvement. The overall solution efficiency is compared with that obtained on the Cray Y-MP vector supercomputer.

Das, R.↗
NASA NTRS1993

Polarimetric Remote Sensing of Geophysical Medium Structures

Polarimetric remote sensing of structures in geophysical media is studied in this paper based on their symmetry properties. Orientations of spheroidal scatterers described by spherical, uniform, planophile, plagiothile, erectophile, and extremophile distributions are considered to derive their polarimetric backscattering characteristics. These distributions can be identified from the observed scattering coefficients by comparison with theoretical symmetry calculations. A new parameter is defined to study scattering structures in geophysical media. Experimental observations from polarimetric data acquired by the Jet Propulsion Laboratory airborne synthetic aperture radar over forests, sea ice, and sea surface are presented to illustrate the use of symmetry properties. For forests, the coniferous forest in Mount Shasta area and mixed forests neir Presque Isle show evidence of the centrical symmetry at C band. In sea ice from the Beaufort Sea, multiyear sea ice has a cross-polarized ratio e close to e(sub 0), calculated from symmetry, due to the randomness in the scattering structure. For first-year sea ice, e is much smaller than e(sub 0) as a result of preferential alignment of the columnar structure of the ice. From polarimetric data of a sea surface in the Bering sea, it is observed that e and e(sub 0) are increasing with incident angle and e is greater than e(sub 0) at L band because of the directional feature of sea surface waves. Use of symmetry properties of geophysical media for polarimetric radar calibration is also suggested.

Nghiem, S. V.↗
NASA NTRS2002

Coronal Thermal Structure and Abundance of Super-Metal-Rich Late-Type Stars

This report covers the NASA grant NAG5-9943 for Cycle 1 XMM Guest Observer Program. The project is entitled 'Coronal Thermal Structure and Abundances of Super-Metal-Rich Late-Type Stars.' This observation is for grating spectroscopy of 30 Ari, a late-type star with very high metallicity (about twice solar). The goal is to use extreme cases to help understand how abundances change from the photosphere to the corona. The target was obtained by XMM-Newton on 2001 January 16 for 28000 sec. Data processing could not proceed until last fall because the SAS RGS software did not work. A poster was presented at the conference 'New Visions of the X-ray Universe in the XMM-Newton and Chandra Era,' held in Noordwijk 26-30 November 2001. The paper was entitled,'Coronal Abundances and Thermal Structure of the Super-Metal-Rich Star 30 Ari,'. The poster presented analysis of EPIC and RGS data to determine the individual abundances from the star and the emission measure distribution as a function of temperature. Results were compared with previous results on this star by our team using ASCA data.

Brickhouse, Nancy↗
NASA NTRS2003

Cloud-Resolving Model and GPM

Over the past twenty years, rainfall retrieval algorithms have been developed to retrieve rainfall and vertical hydrometeor structures from passive microwave observations by making use of the fact that weighting functions for various frequencies peak at different levels within a rainy atmosphere. GPROF is one of two TMI rainfall algorithms. It is physically based retrieval that finds the vertical hydrometeor profile that best fits the brightness temperatures in the available passive radiometer channels. Matching is achieved using a library of hydrometeor profiles generated by cloud-resolving models (CRMs). The hydrometeor profiles have a corresponding surface precipitation rate. The algorithm retrieves the hydrometeor profiles and associated surface rainfall using a Bayesian approach that gives the estimated expected values. The ability of CRMs to produce cloud structures that are reliable and representative of observed storms is crucial for the success of GPROF. The cloud mycrophysics are one of the keys to achieving this. In addition, CRMs have been a very useful tool for GPM-algorithm developers through Cloud-Radiation Simulations (CRS), one of the nine GPM disciplinary research themes. This paper will discuss how to generate consistent and comprehensive 4D cloud datasets from an improved (i.e., in regard to bulk and multi-moment microphysics) CRM for TRMM and GPM rainfall retrieval algorithm developers. These cloud datasets include CRM-simulated clouds and cloud systems from different geographic locations in the tropics and midlatitudes. By linking the CRM with a passive microwave radiative-transfer model and using satellite and airborne data, the performance of the "cloud physics" can be assessed and in turn modified and improved. This paper will also address how to assess and improve the performance of various latent and diabatic heating algorithms and develop an algorithm to retrieve the vertical structure of apparent moistening (Q2). Considering that the GPM will produce high (temporal and spatial) resolution heating and rainfall data, these algorithms will be used to obtain the temporal and spatial distributions of surface rainfall and the associated vertical heating and moistening profiles throughout the subtropical and midlatitudes.

Tao, Wei-Kuo↗
NASA NTRS2018

Sensor Arrays for Aerospace Vehicles

Advances in highly scalable sensors, wireless networks, distributed computing and data fusion algorithms enable significant improvements in high-level information-centric state determination for adaptable and autonomous aerospace vehicles. The objective is to increase insight into structural response of space vehicles and insight into the aerodynamics of new aircraft.

Alena, Richard↗
NASA NTRSDate not supplied

Organic-rich fluids in Pluto’s interior—A source of cryovolcanic activity

The highly variegated surface of Pluto revealed by the New Horizons spacecraft is composed of both volatile ices (N2, CH4, CO) and H2O ice, all of which are intrinsically colorless. The colors on Pluto reveal a non-ice component generally acknowledged to be a refractory complex organic material (tholins) produced by photolysis in the planet’s atmosphere [1], and by photolysis and radiolysis of the surface ices [2-4]. These processes have produced a range of colors from pale yellow to red to brown, and result in a variation of a factor of 10in albedo across the surface. Tholins are disordered polymer-like materials made of repeating chains of linked subunits and complex combinations of functional groups containing carbon. Nitrogen, oxygen, and other elements can be substituted in both the aliphatic and aromatic subunits. The detection of the spectral absorption of an ammoniated compound associated with surface exposures of red-colored H2O ice (herein, RAW) in the LEISA spectral mapping data from New Horizons suggests that a third source of a colored material is ejected from Pluto’s interior as a water-rich fluid(cryomagma) that rapidly freezes at the low temperature (~40K) of the surface [5,6]. The ammoniated compound is thought to be an ammonia hydrate or an ammoniated salt; the spectral data cover a limited wavelength range, resulting in ambiguity in the identification of the form of the ammonia. The distribution of RAW in the vicinity of tectonically stressed and deformed geological structures, particularly graben (fossae), is seen as the result of both fluid effusion and fountaining ejection of cryoclastic materials in Pluto’s Virgil Fossae region [5,6]. RAW is seen elsewhere on Pluto, both in association with graben complexes and on broad expanses of old surface, but primarily in zones of tectonic stress. The nature of the putative subsurface fluid is unknown, but it must have existed at relatively shallow depths such that the graben faulting could reach it. Geochemical modeling of fluids in the interiors of small planetary bodies in the outer Solar System[7] shows that ammonia-bearing H2O in contact with rock and metal components produce a rich chemical soup, including gases that can, in principle, help propel the fluid from shallow reservoirs through crustal fractures to reach the surface. An organic component of the fluid cryomagma is predicted to originate from thermal processing of the components [ref] and may be an example of one-pot synthesis of such complexes as amino acid precursors [ref].

Dale P Cruikshank↗