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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Calculations of Solid-State 43Ca NMR Parameters: A Comparison of Periodic and Cluster Approaches and an Evaluation of DFT Functionals

We present a computational study of magnetic-shielding and quadrupolar-coupling tensors of 43Ca sites in crystalline solids. A comparison between periodic and cluster-based approaches for modeling solid-state interactions demonstrates that clusterbased approaches are suitable for predicting 43Ca NMR parameters. Several model chemistries, including Hartree–Fock theory and 17 DFT approximations (SVWN, CA-PZ, PBE, PBE0, PW91, B3PW91, rPBE, PBEsol, WC, PKZB, BMK, M06-L, M06, M06-2X, M06-HF, TPSS, and TPSSh), are evaluated for the prediction of 43Ca NMR parameters. Convergence of NMR parameters with respect to basis sets of the form cc-pVXZ (X5D, T, Q) is also evaluated. All DFT methods lead to substantial, and frequently systematic, overestimations of experimental chemical shifts. Hartree–Fock calculations outperform all DFT methods for the prediction of 43Ca chemical-shift tensors. VC 2017 Wiley Periodicals, Inc. DOI: 10.1002/jcc.24763

Holmes, Sean T.↗
NASA NTRS1989

External control of the Saturn kilometric radiation by the solar wind - Comparison between Voyager 1 and 2 observations

The long-term modulation of Saturn's nonthermal radio emission in the kilometric wavelength range has been studied based upon data obtained by Voyagers 1 and 2. A comparison of the ballistic and hydrodynamic propagation of solar wind features from the spacecraft to Saturn allows the uncertainty inherent in the projection to be determined. The results confirm the previous suggestion that momentum, ram pressure, and kinetic energy flux are the primary solar wind parameters that drive the nonthermal radio emission. It is suggested that, under certain conditions and for limited periods of time, the magnetic properties and time derivatives of the solar wind have increased importance.

Rucker, H. O.↗
DOE OSTI2019

Measurement of the Activity Coefficients of P and Mn in Carbon-Saturated Fe-P-Mn-C Alloy

The thermodynamic properties of the Fe-P-Mn-C(sat.) alloy, which is obtained following the reduction of steelmaking slag or manganese ore, are not adequately clarified. Thus, the current study involved measuring the activity coefficients of both Mn and P in the alloy system. The Fe-P-Mn-C (sat.) alloy (2.5 to 15.2 mass pct of P and 2.9 to 12.8 mass pct of Mn) was equilibrated with Ag in a graphite crucible at 1673 K, and thus several thermodynamic data were obtained as follows: Interaction parameters: ε{sub Mn (C sat.)}{sup P}=− 4.72±0.27,(X{sub Mn}<0.06, X{sub P}<0.25, 1673K), ε{sub C (C sat.)}{sup P}=6.09 ± 0.15, (X{sub Mn}<0.06, X{sub P}<0.25, 1673K). C solubility: X{sub C[in Fe-P-Mn-C(sat.)]}=0.19e{sup −(6.09X{sub P}− 0.47X{sub M}{sub n})}. Activity coefficient: lnγ{sub Mn [in Fe-P-Mn-C(sat.)]}=− 4.72X{sub P}−0.47X{sub C}−0.87, lnγ{sub P [in Fe-P-Mn-C(sat.)]}{sup H}−lnγ{sub P [in Fe-P-C]}{sup H}=ε{sub P}{sup Mn}X{sub Mn}=−4.72X{sub Mn}, and lnγ{sub P [in Fe-P-Mn-C (sat.)]}{sup H}=−4.72X{sub Mn}+4.26X{sub P}+6.09X{sub C}. In addition, a comparison with the results obtained by previous studies on the selective reduction of steelmaking slag indicated that the activity coefficients of P and Mn obtained in the study were applicable.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding non-stochiometric deposition of multi-principal elemental NiCoCr thin films

Multi-principal elemental NiCoCr thin films with compositional flexibility have potential applications as a thermal barrier, corrosion-resistant coatings, and functional energy materials. In this study, the non-stochiometric multi-principal element alloy thin film formation behavior from an equiatomic ablation target of NiCoCr using pulsed laser deposition has been reported. Here, the effect of varying laser fluence on compositions of constituent elements in the NiCoCr thin films is systematically investigated. The increase in laser fluence typically increases the likelihood of acquiring undesirable particulates in thin films. Therefore, to maintain the film quality the laser fluences are adjusted within the range of 1.3–3.3 J·cm -2 , while the film thicknesses are kept constant at ~30 nm. Results show that the constituent elements are well-distributed in the formed NiCoCr thin films, however, having average atomic percentages of Ni and Cr twice as high as Co irrespective of the equiatomic composition of individual elements in the ablation target. This stochiometric alteration in the as-deposited thin films is governed by the rate of ablation and subsequent evaporation of each element, which is facilitated by the optical properties and vapor pressure of individual constituent elements. Additionally, electron energy-loss spectroscopy and x-ray absorption spectroscopy analysis reveal that the thin films have partially oxidized, with the Cr oxidation contributing the most to the O-K edge in comparison to Ni and Co. Finally, this study presents a laser-assisted pathway for fabricating compositionally flexible NiCoCr thin films and develops an understanding of the non-equilibrium laser-material interactions and how the intrinsic properties of constituent elements affect the stoichiometric flow of materials from the target to the final film deposition.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deconstructing the Local Intermolecular Ordering and Dynamics of Liquid Chloroform and Bromoform

Local intermolecular structure and dynamics of the polar molecular liquids chloroform and bromoform are studied by molecular dynamics simulation. Structural distribution functions, including 1- and 2-D pair correlations and dipole contour plots allow direct comparison and show agreement with recent analyses of diffraction experiments. Studies of the haloforms’ reorientational dynamics and longevity of structural features resulting from intermolecular interaction extend previous work toward deeper understanding of the factors controlling these features. Analyses of ensemble average structures and dynamical properties isolate mass, electrostatics, and steric packing as driving forces or contributing factors for the observed ordering and dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

An experimental study of transmission, reflection and scattering of sound in a free-jet flight simulation facility and comparison with theory

Acoustic time delays across a free-jet shear layer are measured and compared with predictions based on (1) ray paths refracted abruptly across a cylindrical vortex sheet and (2) ray paths traced through a more realistic diverging flow model. The close agreement between measurement and theory confirms that Snell's law provides an accurate prediction of wavefront refraction or angle changes across a diverging shear layer. Microphones are placed on calculated ray paths to determine the coherent transmission and internal reflection characteristics of the shear layer and also the scattering of sound by the shear-layer turbulence. The transmission data essentially verify the proposed, theoretical calibration factor which forms part of a computational procedure that is being developed to convert model jet data from a free-jet facility to inflight conditions.

Ahuja, K. K.↗
NASA NTRS1982

Comparison of analytical predictions of longitudinal short period pilot-induced oscillations with results from a simulation study of the space shuttle orbiter

An analytical analysis of conditions producing pilot induced oscillations (PIO's) was made for the space shuttle orbiter in a landing approach configuration for the task of milling the elevation angle of the line of sight to a target vehicle. The analysis yielded a value of PIO frequency and a value for the amount of total system time delay (pilot + control system) that can be tolerated before instability results. Calculations were performed showing the effect of varying the range to the target and of varying the handling qualities of the orbiter vehicle. Analytical predictions were compared with simulation results obtained using a visual motion simulator.

Riley, D. R.↗
NASA NTRS2001

A Long-Term Space Astrophysics Research Program: The Evolution of the Quasar Continuum

Four papers have been written. One reports on the major study funded by this grant: a pan-chromatic study of the quasar continuum at redshift 3. Two others make use of the quasar continuum shapes to find the minimum total accretion luminosity of the Universe, and hence the efficiency and spin of supermassive black holes; the second shows that the reemission of absorbed quasar radiation alleviates a major problem with galaxy formation and the FIR background. The last paper recognizes the role quasars may play in the initial formation of dust in the early Universe. The major study of a sample of z=3 and its comparison with a sample of z=0.l quasars across the whole X-ray to radio spectrum was completed and accepted for publication in ApJ Supplements. This study comprises the thesis work of Olga Kuhn. The two samples are matched in evolved luminosity, and so should be sampling the same black hole population at different z, and in different accretion states. Despite this no strong differences were found between the samples, except in the 'small bump' region of the optical/UV. This region is dominated by FeII emission, and may indicate abundance evolution in quasars. The lack of overall spectral changes argues strongly against a single population of quasars fading over cosmic time, and for a multiple generation, or multiple outburst model for quasars. A study of the total luminosity absorbed from quasars and re-emitted in the infrared produced two results (reported in two papers): The minimum intrinsic luminosity/Gpc(3) from AGN compared with the measured mass density in supermassive black holes [Gpc(-3)] requires a conversion efficiency of accreted mass into luminosity of greater than 15%. Non-rotating black holes cannot exceed 5% efficiency, while rapidly rotating black holes can reach 47%. Hence our result requires that most supermassive black holes must be rapidly rotating. The second result comes from considering the contribution that the re-radiated quasar radiation makes to the far infrared background (FIRB). The effective temperature of the re radiation is tightly constrained, but the detailed shape (e.g. line emission, range of temperature) is only of second order importance. At least 15perhaps 20-25% of the FIR background must come from AGN. This contribution significantly relieves problems in galaxy evolution that come from trying to use only starlight to make the FIRB. The third paper addresses the origin of the dust obscuration that is so widespread in AGN. The standard assumption is that the dust comes from the normal star-formation processes in galaxies and is drawn close to the nucleus along with the gas that powers the accretion. In complete contrast, using a wind outflow model for the broad emission line (BEL) region (Elvis 2000) as a basis, we show that BEL clouds will expand, cool and form dust as they flow outward, in strict analogy to the stellar winds of red supergiants.

Elvis, M.↗
NASA NTRS2013

Abundances of Neutral and Ionized PAH Along The Lines-of-Sight of Diffuse and Translucent Interstellar Clouds

The spectra of neutral and ionized PAHs isolated in the gas phase at low temperature have been measured in the laboratory under conditions that mimic interstellar conditions and are compared with a set of astronomical spectra of reddened, early type stars. The comparisons of astronomical and laboratory data provide upper limits for the abundances of neutral PAH molecules and ions along specific lines-of-sight. Something that is not attainable from infrared observations. We present the characteristics of the laboratory facility (COSmIC) that was developed for this study and discuss the findings resulting from the comparison of the laboratory data with high resolution, high S/N ratio astronomical observations. COSmIC combines a supersonic jet expansion with discharge plasma and cavity ringdown spectroscopy and provides experimental conditions that closely mimic the interstellar conditions. The column densities of the individual PAH molecules and ions probed in these surveys are derived from the comparison of the laboratory data with high resolution, high S/N ratio astronomical observations. The comparisons of astronomical and laboratory data lead to clear conclusions regarding the expected abundances for PAHs in the interstellar environments probed in the surveys. Band profile comparisons between laboratory and astronomical spectra lead to information regarding the molecular structures and characteristics associated with the DIB carriers in the corresponding lines-of-sight. These quantitative surveys of neutral and ionized PAHs in the optical range open the way for quantitative searches of PAHs and complex organics in a variety of interstellar and circumstellar environments.

PAH↗
NASA NTRS2005

Linear Stability Analysis of Gravitational Effects on a Low-Density Gas Jet Injected into a High-Density Medium

The objective of this study was to determine the effects of buoyancy on the absolute instability of low-density gas jets injected into high-density gas mediums. Most of the existing analyses of low-density gas jets injected into a high-density ambient have been carried out neglecting effects of gravity. In order to investigate the influence of gravity on the near-injector development of the flow, a spatio-temporal stability analysis of a low-density round jet injected into a high-density ambient gas was performed. The flow was assumed to be isothermal and locally parallel; viscous and diffusive effects were ignored. The variables were represented as the sum of the mean value and a normal-mode small disturbance. An ordinary differential equation governing the amplitude of the pressure disturbance was derived. The velocity and density profiles in the shear layer, and the Froude number (signifying the effects of gravity) were the three important parameters in this equation. Together with the boundary conditions, an eigenvalue problem was formulated. Assuming that the velocity and density profiles in the shear layer to be represented by hyperbolic tangent functions, the eigenvalue problem was solved for various values of Froude number. The Briggs-Bers criterion was combined with the spatio-temporal stability analysis to determine the nature of the absolute instability of the jet whether absolutely or convectively unstable. The roles of the density ratio, Froude number, Schmidt number, and the lateral shift between the density and velocity profiles on the absolute instability of the jet were determined. Comparisons of the results with previous experimental studies show good agreement when the effects of these variables are combined together. Thus, the combination of these variables determines how absolutely unstable the jet will be.

Lawson, Anthony L.↗
NASA NTRS1972

Apollo 16 landing site: Summary of earth based remote sensing data, part W

Infrared and radar studies of the Apollo 16 landing site are summarized. Correlations and comparisons between earth based remote sensing data, IR observations, and other data are discussed in detail. Remote sensing studies were devoted to solving two problems: (1) determining the physical difference between Cayley and Descartes geologic units near the landing site; and (2) determining the nature of the bright unit of Descartes mountain material.

Zisk, S. H.↗
NASA NTRS1983

Comparison of CARS combustion temperatures with standard techniques

This paper describes a comparative study of temperatures measured with Coherent Anti-Stokes Raman Spectroscopy (CARS) and those using standard measurement techniques. CARS temperatures from nitrogen vibrational-rotational spectra have been obtained in a premixed hydrogen-air laboratory flame supported on a flat flame burner over a temperature range from about 1000 K to 2100 K. The techniques used for comparison were sodium line reversal, thin wire thermocouples and heat balance calculations. These studies show a good agreement over the entire temperature range studied.

Antcliff, R. R.↗
NASA NTRS1996

Expression of spicule matrix protein gene SM30 in embryonic and adult mineralized tissues of sea urchin Hemicentrotus pulcherrimus

We have isolated a cDNA clone for spicule matrix protein, SM30, from sea urchin Hemicentrotus pulcherrimus and have studied the expression of this gene in comparison with that of another spicule matrix protein gene, SM50. In cultured micromeres as well as in intact embryos transcripts of SM30 were first detectable around the onset of spicule formation and rapidly increased with the growth of spicules, which accompanied accumulation of glycosylated SM30 protein(s). When micromeres were cultured in the presence of Zn2+, spicule formation and SM30 expression were suppressed, while both events resumed concurrently after the removal of Zn2+ from the culture medium. Expression of SM50, in contrast, started before the appearance of spicules and was not sensitive to Zn2+. Differences were also observed in adult tissues; SM30 mRNA was detected in spines and tube feet but not in the test, while SM50 mRNA was apparent in all of these mineralized tissues at similar levels. These results strongly suggest that the SM30 gene is regulated by a different mechanism to that of the SM50 gene and that the products of these two genes are differently involved in sea urchin biomineralization. A possible role of SM30 protein in skeleton formation is discussed.

NASA Discipline Musculoskeletal↗
NASA NTRS2015

Time Accurate Unsteady Pressure Loads Simulated for the Space Launch System at a Wind Tunnel Condition

Using the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics code, an unsteady, time-accurate flow field about a Space Launch System configuration was simulated at a transonic wind tunnel condition (Mach = 0.9). Delayed detached eddy simulation combined with Reynolds Averaged Naiver-Stokes and a Spallart-Almaras turbulence model were employed for the simulation. Second order accurate time evolution scheme was used to simulate the flow field, with a minimum of 0.2 seconds of simulated time to as much as 1.4 seconds. Data was collected at 480 pressure taps at locations, 139 of which matched a 3% wind tunnel model, tested in the Transonic Dynamic Tunnel (TDT) facility at NASA Langley Research Center. Comparisons between computation and experiment showed agreement within 5% in terms of location for peak RMS levels, and 20% for frequency and magnitude of power spectral densities. Grid resolution and time step sensitivity studies were performed to identify methods for improved accuracy comparisons to wind tunnel data. With limited computational resources, accurate trends for reduced vibratory loads on the vehicle were observed. Exploratory methods such as determining minimized computed errors based on CFL number and sub-iterations, as well as evaluating frequency content of the unsteady pressures and evaluation of oscillatory shock structures were used in this study to enhance computational efficiency and solution accuracy. These techniques enabled development of a set of best practices, for the evaluation of future flight vehicle designs in terms of vibratory loads.

Alter, Stephen J.↗
NASA NTRSDate not supplied

The VATMOS-SR Mission Concept: DSMC Studies of the Gas Sampling

VATMOS-SR (Venus ATMOSpheric - Sample Return) is a small spacecraft mission concept that would return a gas sample from the upper atmosphere of Venus to Earth for scientific analysis. This could be the first sample return mission for an extra-terrestrial atmosphere and potentially the first sample return from an Earth-sized planet. The VATMOS-SR mission concept consists of a SmallSat atmospheric sampling probe (45 deg. sphere/cone geometry, <1 m diameter) that is designed to skim through the Venus upper atmosphere and acquire gas samples below the homopause altitude (around ~110 km altitude), where the different atmospheric gases are mixed. The velocity of the spacecraft where sampling would occur is expected to be between ~10.5 km/s and ~13.1 km/s, depending on the trajectory chosen. This presentation will discuss hypervelocity sampling in the upper atmosphere of Venus with respect to the VATMOS-SR mission concept. VATMOS-SR would enable critical atmospheric measurements to form a complete picture of how, why, and when Venus evolved to be so different from Earth and Mars. The abundances and isotopic compositions of volatile elements (such as N, C, S, O, and the noble gases) in planetary atmospheres record volatile delivery during accretion, outgassing from planetary interiors, and atmospheric loss to space. Precise and accurate determinations of volatile atmospheric signatures are the key to understanding the origins and geodynamical evolution of Venus compared to the other terrestrial planets. Hypersonic sampling poses unique technical and scientific challenges. To ensure it is possible to relate the composition of the sampled gases to the free stream atmospheric composition, large-scale numerical simulations are employed to model the flow through the VATMOS-SR sampling system. In particular, an emphasis is placed on quantifying noble gas isotopic fractionation that occurs during the sample acquisition and transfer process to determine how measured isotopic ratios of noble gases in the sample compared to actual isotopic ratios in the Venusian atmosphere. The Direct Simulation Monte Carlo (DSMC) code SPARTA, an open-source software package developed by Sandia National Laboratories, is used in this work. SPARTA, based on Bird’s DSMC method, is a molecular-level gas-kinetic technique. As SPARTA is able to model hypervelocity reacting flows in strong chemical and thermal non-equilibrium, this software package is well suited to determine relevant flow properties for the VATMOS-SR mission concept and to numerically quantify the expected level of elemental and/or isotopic fractionation in the sample acquired by VATMOS-SR. This presentation will show results from 3D simulations correlating the noble gas isotopic fractionation in the gas acquired at hypervelocity speeds to its ambient atmosphere value. In particular, emphasis will be placed on Xenon isotopes of masses 128 and 130, as precise measurements of that ratio would yield comparison to Earth’s atmosphere. Additionally, sensitivity studies that quantify the uncertainties due to the freestream parameters, as well as the modeling parameters, will be performed.

direct simulation Monte Carlo↗
NASA NTRS2005

Identification of transcribed sequences in Arabidopsis thaliana by using high-resolution genome tiling arrays

Using a maskless photolithography method, we produced DNA oligonucleotide microarrays with probe sequences tiled throughout the genome of the plant Arabidopsis thaliana. RNA expression was determined for the complete nuclear, mitochondrial, and chloroplast genomes by tiling 5 million 36-mer probes. These probes were hybridized to labeled mRNA isolated from liquid grown T87 cells, an undifferentiated Arabidopsis cell culture line. Transcripts were detected from at least 60% of the nearly 26,330 annotated genes, which included 151 predicted genes that were not identified previously by a similar genome-wide hybridization study on four different cell lines. In comparison with previously published results with 25-mer tiling arrays produced by chromium masking-based photolithography technique, 36-mer oligonucleotide probes were found to be more useful in identifying intron-exon boundaries. Using two-dimensional HPLC tandem mass spectrometry, a small-scale proteomic analysis was performed with the same cells. A large amount of strongly hybridizing RNA was found in regions "antisense" to known genes. Similarity of antisense activities between the 25-mer and 36-mer data sets suggests that it is a reproducible and inherent property of the experiments. Transcription activities were also detected for many of the intergenic regions and the small RNAs, including tRNA, small nuclear RNA, small nucleolar RNA, and microRNA. Expression of tRNAs correlates with genome-wide amino acid usage.

Arabidopsis/genetics↗
NASA NTRS2013

Recent Progress in DIB Research: Survey of PAHS and DIBS

The spectra of several neutral and ionized PAHs isolated in the gas phase at low temperature have been measured in the laboratory under experimental conditions that mimic interstellar conditions and are compared with an extensive set of astronomical spectra of reddened, early type stars [1, 2]. The comparisons of astronomical and laboratory data provide upper limits for the abundances of specific neutral PAH molecules and ions along specific lines-of-sight. Something that is not attainable from infrared observations alone. We present the characteristics of the laboratory facility (COSmIC) that was developed for this study and discuss the findings resulting from the comparison of these unique laboratory data with high resolution, high S/N ratio astronomical observations. COSmIC combines a supersonic free jet expansion with discharge plasma and high-sensitivity cavity ringdown spectroscopy and provides experimental conditions that closely mimic the interstellar conditions. The column densities of the individual neutral PAH molecules and ions probed in these surveys are derived from the comparison of these unique laboratory data with high resolution, high S/N ratio astronomical observations. The comparisons of astronomical and laboratory data lead to clear and unambiguous conclusions regarding the expected abundances for PAHs of various sizes and charge states in the interstellar environments probed in the surveys. Band profile comparisons between laboratory and astronomical spectra lead to information regarding the molecular structures and characteristics associated with the DIB carriers in the corresponding lines-of-sight. These quantitative surveys of neutral and ionized PAHs in the optical range open the way for unambiguous quantitative searches of PAHs and complex organics in a variety of interstellar and circumstellar environments.

Salama, Farid↗