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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Uncertainty in Model Predictions of Vibrio Vulnificus Response to Climate Variability and Change: A Chesapeake Bay Case Study

The effect that climate change and variability will have on waterborne bacteria is a topic of increasing concern for coastal ecosystems, including the Chesapeake Bay. Surface water temperature trends in the Bay indicate a warming pattern of roughly 0.3-0.4 C per decade over the past 30 years. It is unclear what impact future warming will have on pathogens currently found in the Bay, including Vibrio spp. Using historical environmental data, combined with three different statistical models of Vibrio vulnificus probability, we explore the relationship between environmental change and predicted Vibrio vulnificus presence in the upper Chesapeake Bay. We find that the predicted response of V. vulnificus probability to high temperatures in the Bay differs systematically between models of differing structure. As existing publicly available datasets are inadequate to determine which model structure is most appropriate, the impact of climatic change on the probability of V. vulnificus presence in the Chesapeake Bay remains uncertain. This result points to the challenge of characterizing climate sensitivity of ecological systems in which data are sparse and only statistical models of ecological sensitivity exist.

model predictions↗
NASA NTRS1980

Application of a magnetograph and X-ray telescope to the study of coronal structure variations

The application of magnetographs and X-ray imaging techniques to determine the magnitude, structure, origin, and evolution of the solar coronal magnetic field is examined. The spatial and temporal resolution of the X-ray telescope is discussed and a comparison of ground based magnetogram sequences versus a magnetograph in space is presented. Skylab photographs of the evolution of transient coronal holes are provided.

Rust, D. M.↗
NASA NTRS1998

The Atmospheric Structure of Triton and Pluto

The goal of this research was to better determine the atmospheric structures of Triton and Pluto through further analysis of three occultation data sets obtained with the Kuiper Airborne Observatory (KAO.) As the research progressed, we concentrated our efforts on the Triton data, as this appeared to be the most fruitful. Three papers have been prepared as a result of this research. The first paper presents new results about Triton's atmospheric structure from the analysis of all ground-based stellar occultation data recorded to date, including one single-chord occultation recorded on 1993 July 10 and nine occultation lightcurves from the double-star event on 1995 August 14. These stellar occultation observations made both in the visible and in the infrared have good spatial coverage of Triton, including the first Triton central-flash observations, and are the first data to probe the altitude level 20-100 km on Triton. The small-planet lightcurve model of J. L. Elliot and L. A. Young was generalized to include stellar flux refracted by the far limb, and then fitted to the data. Values of the pressure, derived from separate immersion and emersion chords, show no significant trends with latitude, indicating that Triton's atmosphere is spherically symmetric at approximately 50 km altitude to within the error of the measurements; however, asymmetry observed in the central flash indicates the atmosphere is not homogenous at the lowest levels probed (approximately 20 km altitude). From the average of the 1995 occultation data, the equivalent isothermal temperature of the atmosphere is 47 plus or minus 1 K and the atmospheric pressure at 1400 km radius (approximately 50 km altitude) is 1.4 plus or minus 0.1 microbar. Both of these are not consistent with a model based on Voyager UVS and RSS observations in 1989. The atmospheric temperature from the occultation is 5 K colder than that predicted by the model and the observed pressure is a factor of 1.8 greater than the model. In our opinion, the disagreement in temperature and pressure is probably due to modeling problems at the microbar level, since measurements at this level have not previously been made. Alternatively, the difference could be due to seasonal change in Triton's atmospheric structure. The second paper reports observations of a recent stellar occultation by Triton which, when combined with earlier results, show that Triton has undergone a period of global warming since 1989. The most conservative estimates of the rate of temperature and surface-pressure increase during this period imply that the atmosphere is doubling in bulk every 10 years -- significantly faster than predicted by published frost model for Triton. Our results suggests that permanent polar caps on Triton play a dominant role in regulating seasonal atmospheric changes. Similar processes should also be active on Pluto. A third paper 'Global Warming on Triton' will appear in a the January 1999 issue of Sky and Telescope.

Elliot, James L.↗
DOE OSTI2021

Crystal structure of the $τ_{11}$ Al 4 Fe 1.7 Si phase from neutron diffraction and ab initio calculations

The intermetallic τ 11 Al 4 Fe 1.7 Si phase is of interest for high-temperature structural application due to its combination of low density and high strength. We determine the crystal structure of the τ 11 phase through a combination of powder neutron diffraction and density functional theory calculations. Using Pawley and Rietveld refinements of the neutron diffraction data provides an initial crystal structure model. Since Al and Si have nearly identical neutron scattering lengths, we use density-functional calculations to determine their preferred site occupations. The τ 11 phase exhibits a hexagonal crystal structure with space group P6 3 /mmc and lattice parameters of a = 7.478 Å and c = 7.472 Å. The structure comprises five Wyckoff positions; Al occupies the 6h and 12k sites, Fe the 2a and 6h sites, and Si the 2a sites. Here we observe site disorder and partial occupancies on all sites with a large fraction of 80% Fe vacancies on the 2d sites, indicating an entropic stabilization of the τ 11 phase at high temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Crystal structure of N-terminally hexahistidine-tagged Onchocerca volvulus macrophage migration inhibitory factor-1

Onchocerca volvulus causes blindness, onchocerciasis, skin infections and devastating neurological diseases such as nodding syndrome. New treatments are needed because the currently used drug, ivermectin, is contraindicated in pregnant women and those co-infected with Loa loa . The Seattle Structural Genomics Center for Infectious Disease (SSGCID) produced, crystallized and determined the apo structure of N-terminally hexahistidine-tagged O. volvulus macrophage migration inhibitory factor-1 (His- Ov MIF-1). Ov MIF-1 is a possible drug target. His- Ov MIF-1 has a unique jellyfish-like structure with a prototypical macrophage migration inhibitory factor (MIF) trimer as the `head' and a unique C-terminal `tail'. Deleting the N-terminal tag reveals an Ov MIF-1 structure with a larger cavity than that observed in human MIF that can be targeted for drug repurposing and discovery. Removal of the tag will be necessary to determine the actual biological oligomer of Ov MIF-1 because size-exclusion chomatographic analysis of His- Ov MIF-1 suggests a monomer, while PISA analysis suggests a hexamer stabilized by the unique C-terminal tails.

Kimble, Amber D. (ORCID:0000000167851596)↗
NASA NTRS1990

An improved method to determine vibration damping of materials and structural components

The present, improved frequency-domain technique for vibration-damping estimation involves the fitting of a 'best curve' for the measured frequency-response data near a resonance by means of a least-squares error criterion. The damping ratio and the undamped natural frequency are then computed using the coefficients of the rational fraction polynomial that had been determined on the basis of the curve-fitting technique. Attention is given to the results of this method's application to damping measurements for graphite-reinforced epoxy composites. The results obtained are superior to those of the 'half-power points' method.

Rao, Mohan D.↗
NASA NTRS1982

Technical support package: Large, easily deployable structures. NASA Tech Briefs, Fall 1982, volume 7, no. 1

Design and test data for packaging, deploying, and assembling structures for near term space platform systems, were provided by testing light type hardware in the Neutral Buoyancy Simulator. An optimum or near optimum structural configuration for varying degrees of deployment utilizing different levels of EVA and RMS was achieved. The design of joints and connectors and their lock/release mechanisms were refined to improve performance and operational convenience. The incorporation of utilities into structural modules to determine their effects on packaging and deployment was evaluated. By simulation tests, data was obtained for stowage, deployment, and assembly of the final structural system design to determine construction timelines, and evaluate system functioning and techniques.

Source record↗
NASA NTRS1978

Progressive failure of structures

A procedure is presented for determining the nonlinear behavior of structures subjected to extreme loading and the possibility of development of potential for progressive failure. The methodology takes into account the effect of both material and geometric nonlinearities. At a given stage of analysis, the individual components of the structure are checked against predetermined failure criteria. Subsequently, the failing components are removed and the modified structure is analyzed for overall failure. Examples, obtained from a computer program based on the proposed procedure, showing the applicability of the method are presented.

Khozeimeh, K.↗
NASA NTRS1984

Recombination stellar wind model for the coronae of early-type stars

The wind structures of early-type stars which have base coronal zones are discussed. The calculations give rise to what is called a recombination stellar wind structure because of the transition from a coronally driven wind to a radiatively driven wind. The coronal X-rays are a dominant factor in determining the wind structure because of their effect on the ionization structure, which in turn determines the heating, cooling, and the attenuating properties of the stellar wind. The decreased continuum opacity allows for an increase in the emergent X-ray flux at energies less than 1 keV. The X-ray spectra are compared with those observed with the IPC instrument on the Einstein Observatory and are found to be in excellent agreement. This shows that contrary to earlier analyses, base coronae are not ruled out by the existing IPC X-ray data. The predicted emergent X-ray luminosities are in agreement with the observed values. However, the incident X-ray luminosities from the base coronal zones can be three to four orders of magnitude larger. This suggests that the X-ray IPC spectra reflect the absorption properties of the wind and not the nature of the X-ray source.

Waldron, W. L.↗
NASA NTRS2005

Infrared Extinction and the Initial Conditions for Star and Planet Formation

This grant funded a research program to use infrared extinction measurements to probe the detailed structure of dark molecular clouds and investigate the physical conditions which give rise to star and planet formation. The goals of the this program were to: 1) acquire deep infrared and molecular-line observations of a carefully selected sample of nearby dark clouds, 2) reduce and analyze the data obtained in order to produce detailed extinction maps of the clouds, 3) use the results to measure and quantitatively describe the physical conditions of the dense gas and dust that produce stars and their accompanying planetary systems in molecular clouds. The goals of this project were met and exceeded as described below. 1) The infrared data for the project were obtained in a number of observing runs using the 3.5-meter NTT and 8-meter VLT telescopes of the European Southern Observatory in Chile and the 1.2-meter telescope of the Smithsonian Astrophysical Observatory in Arizona, the 1 0-meter Keck telescope in Hawaii, the 6.5-meter MMT of the Smithsonian Astrophysical Observatory in Arizona, and the NASA Hubble Space Telescope. The molecular-line data was obtained in three runs using the IRAM 30-meter telescope in Spain and one run with the ESO-15 meter millimeter-wave telescope in Chile. Millimeter-wave continuum measurements were obtained with the 15-meter JCMT in Hawaii. 2) Considerable effort was expended to reduce the infrared imaging observations including the development of custom software to produce high quality photometry and source astrometry. All the millimeter-line data was reduced using standard reduction routines. The highlights of the infrared analysis were the production of detailed extinction maps and the construction of profiles of the density structure of the B68, Coalsack, B335 and Lupus clouds. 3) The principal scientific accomplishments of this research program include the following: We were able to use our infrared observations to determine the density structure of the B68 cloud to an unprecedented level of precision. This lead to a major breakthrough in the study of molecular cloud structure. For the first time we have been able to characterize the structure of a dark cloud in a detail only exceeded by that known for a star. We determined that the cloud's structure is exquisitely well described by the equations of a Bonner-Ebert sphere (a pressure confined isothermal sphere). We were able to show that the cloud is very nearly in equilibrium with the internal thermal pressure of the cloud balancing gravity and the external pressure of the surrounding interstellar medium. We were able to determine for the first time the gas-to-dust ratio in a dense cloud core. We also demonstrated a new method to determine extremely precise distances to such clouds by combining knowledge of the properties of Bonner-Ebert Spheres with our infrared and millimeter-wave observations.

Lada, Charles J.↗
DOE OSTI2023

Ab initio modeling and thermodynamics of hydrated plutonium oxalates

An ab initio study on the plutonium oxalate hydrates: Pu 2 (C 2 O 4 ) 3 ·10H 2 O and Pu(C 2 O 4 ) 2 ·6H 2 O, using PBE exchange-correlation with D3 dispersion correction and Hubbard correction for the plutonium atoms, was performed and compared to experimental vibrational spectral and thermodynamic property values. Here we demonstrated that this technique can accurately predict the experimental infrared spectra Pu(III) oxalate hydrate, as well as the Raman peak of PuO 2 (used to calculate the thermodynamic properties of the oxalates). For Pu(IV) oxalate hydrate we found that our predicted structure agreed qualitatively with PXRD measurements, the only available experimental determination of the structure. Using this method at standard temperature and pressure, we predicted standard enthalpies of formation of -6,755 kJ mol -1 and -3,923 kJ mol -1 and standard Gibbs free energy of formation of -5,899 kJ mol -1 and -3,386 kJ mol -1 for Pu 2 (C 2 O 4 ) 3 ·10H 2 O and Pu(C 2 O 4 ) 2 ·6H 2 O, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Elucidating Biomass-Derived Pyrolytic Lignin Structures from Demethylation Reactions through Density Functional Theory Calculations

Pyrolytic lignin is a fraction of pyrolysis oil that contains a wide range of phenolic compounds that can be used as intermediates to produce fuels and chemicals. However, the characteristics of the raw lignin structure make it difficult to establish a pyrolysis mechanism and determine pyrolytic lignin structures. Herein this study proposes dimer, trimer, and tetramer structures based on their relative thermodynamic stability for a hardwood lignin model in pyrolysis. Different configurations of oligomers were evaluated by varying the positions of the guaiacyl (G) and syringyl (S) units and the bonds βO4 and β5 in the hardwood model lignin through electronic structure calculations. The homolytic cleavage of βO4 bonds is assumed to occur and generate two free radical fragments. These can stabilize by taking hydrogen radicals that may be in solution during the intermediate liquid (pathway 1) formation before the thermal ejection. An alternative pathway (pathway 2) could occur when the radicals use intramolecular hydrogen, turning themselves into stable products. Subsequently, a demethylation reaction can take place, thus generating a methane molecule and new oligomeric lignin-derived molecules. The most probable resulting structures were studied. We used FTIR and NMR spectra of selected model compounds to evaluate our calculation approach. Thermophysical properties were calculated using group contribution methods. The results give insights into the lignin oligomer structures and how these molecules are formed. They also provide helpful information for the design of pyrolysis oil separation and upgrading equipment.

09 BIOMASS FUELS↗
DOE OSTI2024

Structural and Spectroscopic Properties of Butanediol-Modified Boehmite Materials

Glycoboehmite (GB) materials are synthesized by a solvothermal reaction to form layered aluminum oxyhydroxide (boehmite) modified by intercalated butanediol molecules. These hybrid materials offer a platform to design materials with potentially novel sorption, wetting, and catalytic properties. Several synthetic methods have been used, resulting in different structural and spectroscopic properties, but atomistic detail is needed to determine the interlayer structure to explore the synthetic control of GB materials. Here, in this study, we use classical molecular dynamics (MD) simulations to compare the structural properties of GB interlayers containing chemisorbed butanediol molecules as a function of diol loading. Accompanying quantum (density functional theory, DFT) static calculations and MD simulations are used to validate the classical model and compute the infrared spectra of various models. Classical MD results reveal the existence of two unique interlayer environments at higher butanediol loading, corresponding to smaller (cross-linked) and expanded interlayers. DFT-computed infrared spectra reveal the sensitivity of the aluminol O–H stretch frequencies to the interlayer environment, consistent with the spectrum of the synthesized material. Insight from these simulations will aid in the characterization of the newly synthesized GB materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Structural insights into photoactivation of plant Cryptochrome-2

Cryptochromes (CRYs) are evolutionarily conserved photoreceptors that mediate various light-induced responses in bacteria, plants, and animals. Plant cryptochromes govern a variety of critical growth and developmental processes including seed germination, flowering time and entrainment of the circadian clock. CRY’s photocycle involves reduction of their flavin adenine dinucleotide (FAD)-bound chromophore, which is completely oxidized in the dark and semi to fully reduced in the light signaling-active state. Despite the progress in characterizing cryptochromes, important aspects of their photochemistry, regulation, and light-induced structural changes remain to be addressed. In this study, we determine the crystal structure of the photosensory domain of Arabidopsis CRY2 in a tetrameric active state. Systematic structure-based analyses of photo-activated and inactive plant CRYs elucidate distinct structural elements and critical residues that dynamically partake in photo-induced oligomerization. Our study offers an updated model of CRYs photoactivation mechanism as well as the mode of its regulation by interacting proteins.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1977

Aerodynamic heating in large cavities in an array of RSI tiles

A large panel of reusable surface insulation (RSI) tiles including lost tile cavities was aerothermally tested in the Langley 8 foot high temperature structures tunnel to determine both the heat load within the cavities and the structural performance of the RSI surrounding the cavities. Tests were conducted with a turbulent boundary layer at a nominal free stream Mach number of 6.6, a total temperature of 1800 K, a Reynolds number per meter of 5 million, and a dynamic pressure of 62 kPa. The maximum aerodynamic heating to the floor of the cavity was two to three times the normal surface heating. The cavity heating rates agreed with data from other facilities and were successfully correlated with an empirical equation. A zippering failure occurred to a tile downstream of a double tile cavity when the separated flow attached to the floor of the cavity and forced the tile from its position.

Hunt, L. R.↗
NASA NTRS1983

Feature selection and information content of thematic mapper simulator data for a forested environment

Feature selection and the information content of Thematic Mapper Simulator (TMS) data are investigated for a forested region in northern Idaho. The optimal TMS channels for forest structural characteristics are determined, and the capability of TMS data to describe the structural variability within a forest stand is evaluated. The comparative performance of TMS and MSS data to discriminate forest structural factors using per-pixel maximum likelihood classification is examined, and four optimal TMS channels are classified in order to ascertain if the full complement of TM channels provide higher accuracies than the four optimal ones.

Spanner, M. A.↗
NASA NTRS1991

Liquid jet breakup and atomization in rocket chambers under dense spray conditions

Two advanced diagnostic techniques were established and employed in this project. The first technique involves the use of a real-time x ray radiography system along with a high-speed CCD Xybion camera and an advanced digital image processor to investigate the breakup processes of the liquid core. The focus of this part of the project is to determine the inner structure of the liquid jet and via thin sheets of laser light, with the scatters light being photographed by a Xybion electronic camera synchronized to the laser pulse. This technique, which is capable of recording the breakup event occurring within 25 nano-seconds, enables us to freeze the motions of the jet and liquid droplets. The focus of this part of the project is to determine the outer structure of the liquid jet and to discover the configuration of the surface waves, the spray pattern, and the droplet size distribution in the non-dilute region. Results obtained by these two advanced diagnostic techniques will provide the much needed database for model development and accurate prediction of engine performance. The present work also represents a breakthrough in the area of advanced diagnostics of dense sprays.

Kuo, Kenneth K.↗