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

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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Atomic, electronic, and magnetic properties of bimetallic ZrCo clusters: A first-principles study

Here, we report the atomic, electronic, and magnetic structures of small Zr{sub m}Co{sub n} (m + n = 2, 4, 6, and 8) alloy clusters based on spin-polarized density functional theory under the plane wave based pseudo-potential approach. The ground state geometry and other low-lying stable isomers of each cluster have been identified using the cascade genetic algorithm scheme. On the basis of the relative energy, it is found that Zr{sub 2}Co{sub 2} (for tetramer), Zr{sub 3}Co{sub 3} (for hexamer), and Zr{sub 4}Co{sub 4} (for octamer) are the most stable isomers than others. In order to underscore the hydrogen storage capacity of these small clusters, the hydrogen adsorption on the stable Zr{sub m}Co{sub n} (m + n = 2, 4, 6, and 8) clusters has also been studied. The electronic structures of Zr{sub m}Co{sub n} clusters with and without adsorbed hydrogen are described in terms of density of states spectra and charge density contours.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

Cluster and SOHO - A joint endeavor by ESA and NASA to address problems in solar, heliospheric, and space plasma physics

The NASA/ESA Solar-Terrestrial Science Program, which consists of the four-spacecraft cluster mission and the Solar and Heliospheric Observatory (SOHO), is examined. It is expected that the SOHO spacecraft will be launched in 1995 to study solar interior structure and the physical processes associated with the solar corona. The SOHO design, operation, data, and ground segment are discussed. The Cluster mission is designed to study small-scale structures in the earth's plasma environment. The Soviet Union is expected to contribute two additional spacecraft, which will be similar to Cluster in instrumentation and design. The capabilities, mission strategy, spacecraft design, payload, and ground segment of Cluster are discussed.

Schmidt, Rudolf↗
DOE OSTI2019

Multimodal interference-based imaging of nanoscale structure and macromolecular motion uncovers UV induced cellular paroxysm

Understanding the relationship between intracellular motion and macromolecular structure remains a challenge in biology. Macromolecular structures are assembled from numerous molecules, some of which cannot be labeled. Most techniques to study motion require potentially cytotoxic dyes or transfection, which can alter cellular behavior and are susceptible to photobleaching. Here in this paper, we present a multimodal label-free imaging platform for measuring intracellular structure and macromolecular dynamics in living cells with a sensitivity to macromolecular structure as small as 20 nm and millisecond temporal resolution. We develop and validate a theory for temporal measurements of light interference. In vitro, we study how higher-order chromatin structure and dynamics change during cell differentiation and ultraviolet (UV) light irradiation. Finally, we discover cellular paroxysms, a near-instantaneous burst of macromolecular motion that occurs during UV induced cell death. With nanoscale sensitive, millisecond resolved capabilities, this platform could address critical questions about macromolecular behavior in live cells.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1987

Northwest Airlines flight experiments

An experiment was conducted in which real-time Total Ozone Mapping Spectrometer (TOMS) data was compared with Northwest Airlines upper air charts. It was demonstrated that the regions of steep gradient in total ozone corresponded with fronts in the upper troposphere, specifically breaks in the tropopause associated with jet streams. Other small scale structures in the ozone could be related to minor trough and ridge lines. This suggests that the relation between total ozone and tropopause height might apply even on relatively small scales, and an analysis produced high correlation coefficients provided that the air mass origin was considered. In a second test, cabin ozone mixing at 37,000 ft. varied from less than 100 ppb (300 DU total ozone) to greater than 300 ppb in a trough (400 DU total ozone). A third analysis showed that clear air turbulence was located where upper air fronts were in rapid motion as suggested by comparison of the 1200 UT synoptic charts and the ozone map taken about six hours later.

Krueger, Arlin J.↗
DOE OSTI2010

Effect of laser pulse parameters on the size and fluorescence of nanodiamonds formed upon pulsed-laser irradiation

The size of nanodiamonds formed upon laser irradiation could be easily controlled over simply adjusting laser pulse parameters. The stable size and structure of nanodiamonds were mostly determined by laser power density and pulse width. Both large nanodiamonds with multiply twinning structure (MTS) and small nanodiamonds with single crystalline structure (SCS) emitted strong visible light after surface passivation, and their fluorescence quantum yield (QY) was 4.6% and 7.1%, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2021

MolDiscovery: learning mass spectrometry fragmentation of small molecules

Identification of small molecules is a critical task in various areas of life science. Recent advances in mass spectrometry have enabled the collection of tandem mass spectra of small molecules from hundreds of thousands of environments. To identify which molecules are present in a sample, one can search mass spectra collected from the sample against millions of molecular structures in small molecule databases. The existing approaches are based on chemistry domain knowledge, and they fail to explain many of the peaks in mass spectra of small molecules. Here, we present molDiscovery, a mass spectral database search method that improves both efficiency and accuracy of small molecule identification by learning a probabilistic model to match small molecules with their mass spectra. A search of over 8 million spectra from the Global Natural Product Social molecular networking infrastructure shows that molDiscovery correctly identify six times more unique small molecules than previous methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Sharp transition from ripple patterns to a flat surface for ion beam erosion of Si with simultaneous co-deposition of iron

We investigate pattern formation on Si by sputter erosion under simultaneous co-deposition of Fe atoms, both at off-normal incidence, as function of the Fe surface coverage. The patterns obtained for 5 keV Xe ion irradiation at 30 Degree-Sign incidence angle are analyzed with atomic force microscopy. Rutherford backscattering spectroscopy of the local steady state Fe content of the Fe-Si surface layer allows a quantitative correlation between pattern type and Fe coverage. With increasing Fe coverage the patterns change, starting from a flat surface at low coverage (< 2 Multiplication-Sign 10{sup 15} Fe/cm{sup 2}) over dot patterns (2-8 Multiplication-Sign 10{sup 15} Fe/cm{sup 2}), ripples patterns (8-17 Multiplication-Sign 10{sup 15} Fe/cm{sup 2}), pill bug structures (1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}) and a rather flat surface with randomly distributed weak pits at high Fe coverage (>1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}). Our results confirm the observations by Macko et al. for 2 keV Kr ion irradiation of Si with Fe co-deposition. In particular, we also find a sharp transition from pronounced ripple patterns with large amplitude (rms roughness {approx} 18 nm) to a rather flat surface (rms roughness {approx} 0.5 nm). Within this transition regime, we also observe the formation of pill bug structures, i.e. individual small hillocks with a rippled structure on an otherwise rather flat surface. The transition occurs within a very narrow regime of the steady state Fe surface coverage between 1.7 and 1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}, where the composition of the mixed Fe-Si surface layer of about 10 nm thickness reaches the stoichiometry of FeSi{sub 2}. Phase separation towards amorphous iron silicide is assumed as the major contribution for the pattern formation at lower Fe coverage and the sharp transition from ripple patterns to a flat surface.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Effect of the dynamic pressure on the shock wave structure in a rarefied polyatomic gas

We study the shock wave structure in a rarefied polyatomic gas based on a simplified model of extended thermodynamics in which the dissipation is due only to the dynamic pressure. In this case the differential system is very simple because it is a variant of Euler system with a new scalar equation for the dynamic pressure [T. Arima, S. Taniguchi, T. Ruggeri, and M. Sugiyama, Phys. Lett. A 376, 2799–2803 (2012)]. It is shown that this theory is able to describe the three types of the shock wave structure observed in experiments: the nearly symmetric shock wave structure (Type A, small Mach number), the asymmetric structure (Type B, moderate Mach number), and the structure composed of thin and thick layers (Type C, large Mach number)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1981

The aerodynamics of bodies in a rarefied ionized gas with applications to spacecraft environmental dynamics

The objectives are to provide a parametric description of the electrostatic interaction of a mesosonic, collisionless plasma with conducting bodies on the order of 1 to 10 Debye lengths in size, and to extend this description to the satellite-ionospheric interaction, where possible. Experimental findings include: the wake of the geometrically complex body appears to be a linear superposition of the wakes of its simple geometric components; and vector ion flux measurements show converging ion streams at the wake axis and direct evidence of ion streams deflected from the wake axis by the positive space charge potential associated with the axial ion peak. The extension to the satellite-ionospheric interaction utilizes qualitative scaling and indicates that similar, but smaller amplitude, wake structures may be expected for small or highly charged bodies. However, for large bodies at small potentials, the structure may be diffused by the thermal ion motion and the dispersion resulting for space charge potentials.

Stone, N. H.↗
NASA NTRS1993

Novel cost controlled materials and processing for primary structures

Textile laminates, developed a number of years ago, have recently been shown to be applicable to primary aircraft structures for both small and large components. Such structures have the potential to reduce acquisition costs but require advanced automated processing to keep costs controlled while verifying product reliability and assuring structural integrity, durability and affordable life-cycle costs. Recently, resin systems and graphite-reinforced woven shapes have been developed that have the potential for improved RTM processes for aircraft structures. Ciba-Geigy, Brochier Division has registered an RTM prepreg reinforcement called 'Injectex' that has shown effectivity for aircraft components. Other novel approaches discussed are thermotropic resins producing components by injection molding and ceramic polymers for long-duration hot structures. The potential of such materials and processing will be reviewed along with initial information/data available to date.

Dastin, S. J.↗
DOE OSTI2011

Atomic Resolution Coherent Diffractive Imaging and Ultrafast Science

A major scientific challenge is determining the 3-D atomic structure of small nanostructures, including single molecules. Coherent diffractive imaging (CDI) is a promising approach. Recent progress has demonstrated coherent diffraction patterns can be recorded from individual nanostructures and phased to reconstruct their structure. However, overcoming the dose limit imposed by radiation damage is a major obstacle toward the full potential of CDI. One approach is to use ultrafast x-ray or electron pulses. In electron diffraction, amplitudes recorded in a diffraction pattern are unperturbed by lens aberrations, defocus, and other microscope resolution-limiting factors. Sub-A signals are available beyond the information limit of direct imaging. Significant contrast improvement is obtained compared to high-resolution electron micrographs. progress has also been made in developing time-resolved electron diffraction and imaging for the study of ultrafast dynamic processes in materials. This talk will cover these crosscutting issues and the convergence of electron and x-ray diffraction techniques toward structure determination of single molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Crystal structure of the major quadruplex formed in the promoter region of the human c-MYC oncogene

The c-MYC oncogene mediates multiple tumor cell survival pathways and is dysregulated or overexpressed in the majority of human cancers. The NHE III 1 region of the c-MYC promoter forms a DNA quadruplex. Stabilization of this structure with small molecules has been shown to reduce expression of c-MYC, and targeting the c-MYC quadruplex has become an emerging strategy for development of antitumor compounds. Previous solution NMR studies of the c-MYC quadruplex have assigned the major conformer and topology of this important target, however, regions outside the G-quartet core were not as well-defined. Here, we report a high-resolution crystal structure (2.35 Å) of the major quadruplex formed in the NHE III 1 region of the c-MYC promoter. The crystal structure is in general agreement with the solution NMR structure, however, key differences are observed in the position of nucleotides outside the G-quartet core. The crystal structure provides an alternative model that, along with comparisons to other reported quadruplex crystal structures, will be important to the rational design of selective compounds. This work will aid in development of ligands to target the c-MYC promoter quadruplex with the goal of creating novel anticancer therapies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Evidence for two different structuring and scattering mechanisms and the associated role of aerosols in the polar summer mesosphere

A Super Arcas rocket, MISTI B, was launched as part of the Polar Mesospheric Summer Echoes (PMSE) salvo to measure electron density irregularities using rf and dc probes. Large and small scale structures in the electron density were measured on rocket ascent and descent at the altitudes of 86.5 and 88.5 +/- .5 km. Since the rocket apogee was 89 km, the rocket was in the height range 88.5 +/- .5 km for 30 seconds giving us an unusual measurement of horizontal structure over a distance of 5.5 km. A power spectrum of the fluctuations for the upper layer gives further evidence that turbulent mixing is an important process in PMSE. The power spectrum of the lower layer, however, gives evidence that this layer is characterized by a form of partial or Fresnel scattering. Both spectra are in excellent agreement with similar analysis of electron fluctuation spectra measured in the same layers on the TURBO-B rocket flown 12 minutes later and the analysis of Cornell University Portable Radar Interferometer (CUPRI) data by Cho et al., 1993A. Thus two different structuring and scattering mechanisms exist at altitudes only 1 km apart. Using the simultaneous dc and rf probe measurements of electron depletions and sharp gradients in the lower layer, we speculate on the role of aerosols in creating these depletions and gradients.

Ulwick, J. C.↗
DOE OSTI2020

Structure based virtual screening identifies small molecule effectors for the sialoglycan binding protein Hsa

Infective endocarditis (IE) is a cardiovascular disease often caused by bacteria of the viridans group of streptococci, which includes Streptococcus gordonii and Streptococcus sanguinis. Previous research has found that serine-rich repeat (SRR) proteins on the S. gordonii bacterial surface play a critical role in pathogenesis by facilitating bacterial attachment to sialylated glycans displayed on human platelets. Despite their important role in disease progression, there are currently no anti-adhesive drugs available on the market. Here, we performed structure-based virtual screening using an ensemble docking approach followed by consensus scoring to identify novel small molecule effectors against the sialoglycan binding domain of the SRR adhesin protein Hsa from the S. gordonii strain DL1. The screening successfully predicted nine compounds which were able to displace the native ligand (sialyl-T antigen) in an in vitro assay and bind competitively to Hsa. Furthermore, hierarchical clustering based on the MACCS fingerprints showed that eight of these small molecules do not share a common scaffold with the native ligand. This study indicates that SRR family of adhesin proteins can be inhibited by diverse small molecules and thus prevent the interaction of the protein with the sialoglycans. This opens new avenues for discovering potential drugs against IE.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

OBSERVING CASCADES OF SOLAR BULLETS AT HIGH RESOLUTION. II

High resolution observations from the Swedish 1-m Solar Telescope revealed bright, discrete, blob-like structures (which we refer to as solar bullets) in the Hα 656.28 nm line core that appear to propagate laterally across the solar atmosphere as clusters in active regions (ARs). These small-scale structures appear to be field aligned and many bullets become triggered simultaneously and traverse collectively as a cluster. Here, we conduct a follow-up study on these rapidly evolving structures with coincident observations from the Solar Dynamics Observatory/Atmospheric Imaging Assembly. With the co-aligned data sets, we reveal (a) an evolving multithermal structure in the bullet cluster ranging from chromospheric to at least transition region temperatures, (b) evidence for cascade-like behavior and corresponding bidirectional motions in bullets within the cluster, which indicate that there is a common source of the initial instability leading to bullet formation, and (c) a direct relationship between co-incident bullet velocities observed in Hα and He ii 30.4 nm and an inverse relationship with respect to bullet intensity in these channels. We find evidence supporting that bullets are typically composed of a cooler, higher density core detectable in Hα with a less dense, hotter, and fainter co-moving outer sheath. Bullets unequivocally demonstrate the finely structured nature of the AR corona. We have no clear evidence for bullets being associated with locally heated (or cooled), fast flowing plasma. Fast MHD pulses (such as solitons) could best describe the dynamic properties of bullets whereas the presence of a multithermal structure is new.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1991

100-micron array polarimetry from the Kuiper Airborne Observatory - Instrumentation, techniques, and first results

The University of Chicago far-infrared array polarimeter, 'STOKES', is the first multiple-beam polarimeter for far-infrared astronomy. Observations are made from the NASA Kuiper Airborne Observatory. Two orthogonal components of linear polarization are detected simultaneously by corresponding pairs of bolometers in two 32-detector arrays. Novel observing and data-analysis techniques are used to overcome the inherent difficulties of array polarimetry. Results from the first observing flights with the new instrument are reported for the molecular clouds W3 and W51. The measurements show that the magnetic-field structure in both clouds is nonuniform on the scale of 0.5-1.5 pc. This is consistent with molecular line and Zeeman observations that indicate the presence of turbulent velocities and significant small-scale structure. Preliminary results from the second flight series have yielded approximately 40 new measurements in the Sgr A complex. These results indicate that modifications made since the first flights have significantly improved the performance of STOKES.

Platt, S. R.↗
NASA NTRS2007

Self-consistent Model of Magnetospheric Ring Current and Propagating Electromagnetic Ion Cyclotron Waves. 2. Wave Induced Ring Current Precipitation and Thermal Electron Heating

This paper continues presentation and discussion of the results from our new global self-consistent theoretical model of interacting ring current ions and propagating electromagnetic ion cyclotron waves [Khazanov et al., 2006]. To study the effects of electromagnetic ion cyclotron wave propagation and refraction on the wave induced ring current precipitation and heating of the thermal plasmaspheric electrons, we simulate the May 1998 storm. The main findings after a simulation can be summarized as follows. Firstly, the wave induced ring current precipitation exhibits quite a lot of fine structure, and is highly organized by location of the plasmapause gradient. The strongest fluxes of about 4 x 10(exp 6) (cm(raised dot) s(raised dot) sr(raised dot) (sup -1)) are observed during the maill and early recovery phases of the storm. The very interesting and probably more important finding is that in a number of cases the most intense precipitating fluxes are not connected to the most intense waves in simple manner. The characteristics of the wave power spectral density distribution over the wave normal angle are extremely crucial for the effectiveness of the ring current ion scattering. Secondly, comparison of the global proton precipitating patterns with the results from RAM [Kozyra et al., 1997a] reveals that although we observe a qualitative agreement between the localizations of the wave induced precipitations in the models, there is no quantitative agreement between the magnitudes of the fluxes. The quantitative differences are mainly due to a qualitative difference between the characteristics of the wave power spectral density distributions over the wave normal angle in RAM and in our model. Thirdly, the heat fluxes to plasmaspheric electrons caused by Landau resonate energy absorption from electromagnetic ion cyclotron waves are observed in the postnoon-premidnight MLT sector, and can reach the magnitude of 10(exp 11) eV/(cm(sup 2)(raised dot)s). The Coulomb energy degradation of the RC H(+) and O(+) ions maximizes at about 10(exp 11) (eV/(cm(sup 2) (raised dot) s), and typically leads to electron energy deposition rates of about 2(raised dot) 10(exp 10) (eV/(cm(sup 2)(raised dot)s) which are observed during two periods; 32-48 hours, and 76-86 hours after 1 May, 0000 UT. The theoretically derived spatial structure of the thermal electron heating caused by interaction of the ring current with the plasmasphere is strongly supported by concurrent and conjugate plasma measurements from the plasmasphere, ring current, and topside ionosphere [Gurgiolo et al., 2005]. Finally, the wave induced intense electron heating has a structure of the spot-like patches along the most enhanced density gradients in the plasmasphere boundary layer and can be a possible driver to the observed but still not explained small-scale structures of enhanced emissions in the stable auroral red arcs.

Khazanov, G. V.↗
DOE OSTI2023

Interface models for three-dimensional Rayleigh–Taylor instability

We derive interface models for three-dimensional Rayleigh–Taylor instability (RTI), making use of a novel asymptotic expansion in the non-locality of the fluid flow. These interface models are derived for the purpose of studying universal features associated with RTI such as the Froude number in single-mode RTI, the predicted quadratic growth of the interface amplitude under multi-mode random perturbations, the optimal (viscous) mixing rates induced by the RTI and the self-similarity of horizontally averaged density profiles and the remarkable stabilization of the mixing layer growth rate which arises for the three-fluid two-interface heavy–light–heavy configuration, in which the addition of a third fluid bulk slows the growth of the mixing layer to a linear rate. Our interface models can capture the formation of small-scale structures induced by severe interface roll-up, reproduce experimental data in a number of different regimes and study the effects of multiple interface interactions even as the interface separation distance becomes exceedingly small. Compared with traditional numerical schemes used to study such phenomena, our models provide a computational speed-up of at least two orders of magnitude.

Mechanics↗