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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Dynamics of flux tubes in accretion disks

The study of magnetized plasmas in astrophysics is complicated by a number of factors, not the least of which is that in considering magnetic fields in stars or accretion disks, we are considering plasmas with densities well above those we can study in the laboratory. In particular, whereas laboratory plasmas are dominated by the confining magnetic field pressure, stars, and probably accretion disks, have magnetic fields whose beta (ratio of gas pressure to magnetic field pressure) is much greater than 1. Observations of the Sun suggest that under such circumstances the magnetic field breaks apart into discrete flux tubes with a small filling factor. On the other hand, theoretical treatments of MHD turbulence in high-beta plasmas tend to assume that the field is more or less homogeneously distributed throughout the plasma. Here we consider a simple model for the distribution of magnetic flux tubes in a turbulent medium. We discuss the mechanism by which small inhomogeneities evolve into discrete flux tubes and the size and distribution of such flux tubes. We then apply the model to accretion disks. We find that the fibrilation of the magnetic field does not enhance magnetic buoyancy. We also note that the evolution of an initially diffuse field in a turbulent medium, e.g., any uniform field in a shearing flow, will initially show exponential growth as the flux tubes form. This growth saturates when the flux tube formation is complete and cannot be used as the basis for a self-sustaining dynamo effect. Since the typical state of the magnetic field is a collection of intense flux tubes, this effect is of limited interest. However, it may be important early in the evolution of the galactic magnetic field, and it will play a large role in numerical simulations. Finally, we note that the formation of flux tubes is an essential ingredient in any successful dynamo model for stars or accretion disks.

Vishniac, E. T.↗
NASA NTRS1985

Far-infrared line observations of planetary nebulae. 1: The O 3 spectrum

Observations of the far-infrared fine structure lines of O III have been obtained for six planetary nebulae. The infrared measurements are combined with optical O III line fluxes to probe physical conditions in the gas. From the observed line intensity ratios, a simultaneous solution was obtained for electron temperature and density, as well as means of evaluating the importance of inhomogeneities. Densities determined from the far-infrared O III lines agree well density diagnostics from other ions, indicating a fairly homogeneous density in the emitting gas. Temperatures are determined separately from the O III 4363/5007 A and 5007 A/52 micron intensity ratios and compared. Systematically higher values are derived from the former ratio, which is expected from a nebula which is not isothermal. Allowance for the presence of temperature variations within these nebulae raises their derived oxygen abundances, determinations to be reconciled with the solar value.

Dinerstein, H. L.↗
DOE OSTI2021

Examination of How Well Long-Range-Corrected Density Functionals Satisfy the Ionization Energy Theorem

For this work, we calculated the vertical ionization energies (VIE) of 99 species in two ways to examine the accuracy of several long-range-corrected (LC) hybrid meta functionals in comparison with a gradient approximation (GA), global hybrids, and doubly hybrids. In the category of LC functionals, we examined both those with meta ingredients (i.e., that depend on the kinetic energy density) and those without them. The LC-hybrid meta functionals examined are M11, revM11, M11plus, and ωB97M-V. The reference data used to assess accuracy consist of 95 molecules and 4 atoms in the GW100 set. The two methods studied are the ΔSCF method (involving the difference of neutral and cation self-consistent field (SCF) energies) and the ionization energy theorem (involving the orbital energy of the highest occupied molecular orbital, HOMO). We calculated linear correlation coefficients (r 2 ) and mean absolute deviations (MADs) between each approach and the reference VIE value from the CCSD(T)/def2-TZVPP level of theory. We compared the new LC-hybrid meta calculations to calculations with the 10 functionals in a previous VIE study by Brémond et al. and to the calculations with LC-BLYP (LC-Becke, Lee–Yang–Parr), CAM-B3LYP (Coulomb-attenuating-method Becke-3-parameter Lee–Yang–Parr), LC-ωHPBE, and ωB97X-D. The results show that Minnesota LC-hybrid meta functionals have the smallest mean absolute deviation of ionization energy theorem VIEs with the reference data; the LC-ωHPBE functional also does quite well in this test. This is very encouraging and indicates that LC-hybrid meta functionals would be the best starting points for the tuning strategy that has been shown to be a very good procedure for improving time-dependent density functional calculations, and it also helps explain the good success of LC-hybrid meta functionals for molecular excitation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Molecular oxygen measurements at 200 km from AE-D near winter solstice, 1975

Utilizing the fly-through mode, the open source neutral mass spectrometer on Atmosphere Explorer-D (AE-D) has measured O2 densities, as well as N2 densities and in situ neutral temperatures, at midmorning during winter solstice over the latitude range 90 degrees S to 90 degrees N. The expected seasonal variation in N2 was found at 200 km together with a more complex behavior in molecular oxygen than might be expected from a diffusive equilibrium model with constant lower boundary values. Under geomagnetically quiet conditions the equatorial 200 km value of O2 was about 1.7 x 10 to the 8th/cu cm. A local maximum in the 200 km O2 densities was found near 70 degrees N, where an average quiet time value was 2.5 x 10 to the 8th/cu cm, implying a 120 km density of 8.3 x 10 to the 10th/cu cm. The in situ temperature measurements confirm the presence of higher temperatures near 70 degrees N latitude, even during geomagnetically quiet conditions.

Kayser, D. C.↗
DOE OSTI2020

In-field critical current and pinning mechanisms at 4.2 K of Zr-added REBCO coated conductors

The critical current and pinning mechanisms at 4.2 K have been studied over a magnetic field range of 0–14 T for Zr-added (0, 5 and 15 mol.%) REBa 2 Cu 3 O 7-x (REBCO and RE = rare earth) coated conductors fabricated by advanced metal organic chemical vapor deposition (A-MOCVD). It is found that the (Ba + Zr)/Cu content in Zr-added (5 and 15 mol.%) REBCO affects the critical current at 77 K, 0 T as well as density, continuity and shape of BaZrO 3 (BZO) self-assembled nanocolumns and RE 2 O 3 in-plane precipitates that significantly enhance the pinning force density Fp(H) as well as isotropic pinning landscape at 4.2 K. In addition to bell-shape dependence of critical current density, J c , at 4.2 K with (Ba + Zr)/Cu content we observed an unusual Fp(H) behavior correlated to particular type of pinning centers, morphology and distribution that have been revealed by TEM microstructure analysis. By fitting the Dew–Hughes equation of the pinning force density Fp(H) at 4.2 K we extract the scaling behaviors of the Fp(H) associated with the competition of pinning mechanisms driven by vertically-aligned BZO nanorods and in-plane RE 2 O 3 pinning defects. This result sheds light on approaches towards interactive control of strong and isotropic pinning centers in Zr-added REBa 2 Cu 3 O 7-x (REBCO and RE = rare earth) coated conductors, and especially understanding the correlation between microstructural characteristics and vortex pinning mechanisms at 4.2 K in high magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Far-infrared line observations of planetary nebulae. I - The forbidden O III spectrum

Observations of the far-infrared fine structure lines of O III have been obtained for six planetary nebulae. The infrared measurements are combined with optical O III line fluxes to probe physical conditions in the gas. From the observed line intensity ratios, a simultaneous solution was obtained for electron temperature and density, as well as means of evaluating the importance of inhomogeneities. Densities determined from the far-infrared O III lines agree well with density diagnostics from other ions, indicating a fairly homogeneous density in the emitting gas. Temperatures are determined separately from the O III 4363/5007 A and 5007 A/52 micron intensity ratios and compared. Systematically higher values are derived from the former ratio, which is expected from a nebula which is not isothermal. Allowance for the presence of temperature variations within these nebulae raises their derived oxygen abundances, determinations to be reconciled with the solar value.

Dinerstein, H. L.↗
NASA NTRS2009

Dynamic Measurement of Temperature, Velocity, and Density in Hot Jets Using Rayleigh Scattering

A molecular Rayleigh scattering technique is utilized to measure gas temperature, velocity, and density in unseeded gas flows at sampling rates up to 10 kHz, providing fluctuation information up to 5 kHz based on the Nyquist theorem. A high-power continuous-wave laser beam is focused at a point in an air flow field and Rayleigh scattered light is collected and fiber-optically transmitted to a Fabry-Perot interferometer for spectral analysis. Photomultiplier tubes operated in the photon counting mode allow high-frequency sampling of the total signal level and the circular interference pattern to provide dynamic density, temperature, and velocity measurements. Mean and root mean square velocity, temperature, and density, as well as power spectral density calculations, are presented for measurements in a hydrogen-combustor heated jet facility with a 50.8-mm diameter nozzle at NASA John H. Glenn Research Center at Lewis Field. The Rayleigh measurements are compared with particle image velocimetry data and computational fluid dynamics predictions. This technique is aimed at aeronautics research related to identifying noise sources in free jets, as well as applications in supersonic and hypersonic flows where measurement of flow properties, including mass flux, is required in the presence of shocks and ionization occurrence.

Mielke, Amy F.↗
DOE OSTI2024

Structure and lattice excitations of the copper substituted lead oxyapatite Pb 9.06⁢(7)⁢ Cu 0.94⁢(6)⁢ (PO 3.92⁢(4) ) 6 ⁢O 0.96⁢(3)

The copper substituted lead oxyapatite, Pb 10-x⁢ Cu x (PO 3.92⁢(4) ) 6 ⁢O 0.96⁢(3) [x = 0.94(6)] was studied using neutron and x-ray diffraction and neutron spectroscopy techniques. The crystal structure of the main phase of our sample, which has come to be colloquially known as LK-99, is verified to possess a hexagonal structure with space group P6 3 /m, alongside the presence of impurity phases Cu and Cu 2 ⁢S. We determine the primary substitution location of the Cu as the Pb1 (6⁢ℎ) site, with a small substitution at the Pb2 (4⁢f) site. Consequently, no clear Cu-doping-induced structural distortion was observed in the investigated temperature region between 10 K and 300 K. Specially, we did not observe a reduction of coordinate number at the Pb2 site or a clear tilting of PO 4 tetrahedron. Magnetic characterization reveals a diamagnetic signal in the specimen, accompanied by a very weak ferromagnetic component at 2 K. No long-range magnetic order down to 10 K was detected by the neutron diffraction. Inelastic neutron scattering measurements did not show magnetic excitations for energies up to 350 meV. There is no sign of a superconducting resonance in the excitation spectrum of this material. The measured phonon density of states compares well with density functional theory calculations performed for the main LK-99 phase and its impurity phases. Our study may shed some insight into the role of the favored substitution site of copper in the absence of structural distortion and superconductivity in LK-99.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Fluctuations at the blue edge of saturated wind lines in IUE spectra of O-type stars

We examine basic issues involved in synthesizing resonance-line profiles from 1-D, dynamical models of highly structured hot-star winds. Although these models exhibit extensive variations in density as well as velocity, the density scale length is still typically much greater than the Sobolev length. The line transfer is thus treated using a Sobolev approach, as generalized by Rybicki & Hummer (1978) to take proper account of the multiple Sobolev resonances arising from the nonmonotonic velocity field. The resulting reduced-Lambda-matrix equation describing nonlocal coupling of the source function is solved by iteration, and line profiles and then derived from formal solution integration using this source function. The more appropriate methods that instead use either a stationary or a structured, local source function yield qualitatively similar line-profiles, but are found to violate photon conservation by 10 percent or more. The full results suggest that such models may indeed be able to reproduce naturally some of the qualitative properties long noted in observed UV line profiles, such as discrete absorption components in unsaturated lines, or the blue-edge variability in saturated lines. However, these particular models do not yet produce the black absorption troughs commonly observed in saturated lines, and it seems that this and other important discrepancies (e.g., in acceleration time scale of absorption components) may require development of more complete models that include rotation and other 2-D and/or 3-D effects.

Owocki, Stanley P.↗
NASA NTRS1993

On the synthesis of resonance lines in dynamical models of structured hot-star winds

We examine basic issues involved in synthesizing resonance-line profiles from 1-D, dynamical models of highly structured hot-star winds. Although these models exhibit extensive variations in density as well as velocity, the density scale length is still typically much greater than the Sobolev length. The line transfer is thus treated using a Sobolev approach, as generalized by Rybicki & Hummer (1978) to take proper account of the multiple Sobolev resonances arising from the nonmonotonic velocity field. The resulting reduced-lambda-matrix equation describing nonlocal coupling of the source function is solved by iteration, and line profiles are then derived from formal solution integration using this source function. Two more approximate methods that instead use either a stationary or a structured, local source function yield qualitatively similar line-profiles, but are found to violate photon conservation by 10% or more. The full results suggest that such models may indeed be able to reproduce naturally some of the qualitative properties long noted in observed UV line profiles, such as discrete absorption components in unsaturated lines, or the blue-edge variability in saturated lines. However, these particular models do not yet produce the black absorption troughs commonly observed in saturated lines, and it seems that this and other important discrepancies (e.g., in acceleration time scale of absorption components) may require development of more complete models that include rotation and other 2-D and/or 3-D effects.

Puls, J.↗
NASA NTRS2014

Global Investigation of the Mg Atom and ion Layers using SCIAMACHY/Envisat Observations between 70 km and 150 km Altitude and WACCM-MG Model Results

Mg and Mg+ concentration fields in the upper mesosphere/lower thermosphere (UMLT) region are retrieved from SCIAMACHY/Envisat limb measurements of Mg and Mg+ dayglow emissions using a 2-D tomographic retrieval approach. The time series of monthly means of Mg and Mg+ for number density as well as vertical column density in different latitudinal regions are shown. Data from the limb mesosphere-thermosphere mode of SCIAMACHY/Envisat are used, which covers the 50 km to 150 km altitude region with a vertical sampling of 3.3 km and a highest latitude of 82 deg. The high latitudes are not covered in the winter months, because there is no dayglow emission during polar night. The measurements were performed every 14 days from mid-2008 until April 2012. Mg profiles show a peak at around 90 km altitude with a density between 750 cm(exp−3) and 2000 cm(exp−3). Mg does not show strong seasonal variation at mid-latitudes. The Mg+ peak occurs 5-15 km above the neutral Mg peak at 95-105 km. Furthermore, the ions show a significant seasonal cycle with a summer maximum in both hemispheres at mid- and high-latitudes. The strongest seasonal variations of the ions are observed at mid-latitudes between 20-40 deg and densities at the peak altitude range from 500 cm(exp−3) to 6000 cm(exp−3). The peak altitude of the ions shows a latitudinal dependence with a maximum at mid-latitudes that is up to 10 km higher than the peak altitude at the equator. The SCIAMACHY measurements are compared to other measurements and WACCM model results. In contrast to the SCIAMACHY results, the WACCM results show a strong seasonal variability for Mg with a winter maximum, which is not observable by SCIAMACHY, and globally higher peak densities. Although the peak densities do not agree the vertical column densities agree, since SCIAMACHY results show a wider vertical profile. The agreement of SCIAMACHY and WACCM results is much better for Mg+, showing the same seasonality and similar peak densities. However, there are the following minor differences: there is no latitudinal dependence of the peak altitude for WACCM and the density maximum, passing the equatorial region during equinox conditions, is not reduced as for SCIAMACHY.

SCIAMACHYEnvisat↗
NASA NTRS2016

Density Variations in the Earth's Magnetospheric Cusps

Seven years of measurements from the Polar spacecraft are surveyed to monitor the variations of plasma density within the magnetospheric cusps. The spacecraft's orbital precession from 1998 through 2005 allows for coverage of both the northern and southern cusps from low altitude out to the magnetopause. In the mid- and high- altitude cusps, plasma density scales well with the solar wind density (n(sub cusp)∕n(sub sw) approximately 0.8). This trend is fairly steady for radial distances greater then 4 R(sub E). At low altitudes (r less than 4R(sub E)) the density increases with decreasing altitude and even exceeds the solar wind density due to contributions from the ionosphere. The density of high charge state oxygen (O(greater +2) also displays a positive trend with solar wind density within the cusp. A multifluid simulation with the Block-Adaptive-Tree Solar Wind Roe-Type Upwind Scheme MHD model was run to monitor the relative contributions of the ionosphere and solar wind plasma within the cusp. The simulation provides similar results to the statistical measurements from Polar and confirms the presence of ionospheric plasma at low altitudes.

Walsh, B. M.↗
DOE OSTI2024

Prandtl number effects on extreme mixing events in forced stratified turbulence

Relatively strongly stratified turbulent flows tend to self-organise into a ‘layered anisotropic stratified turbulence’ (LAST) regime, characterised by relatively deep and well-mixed density ‘layers’ separated by relatively thin ‘interfaces’ of enhanced density gradient. Understanding the associated mixing dynamics is a central problem in geophysical fluid dynamics. It is challenging to study LAST mixing, as it is associated with Reynolds numbers $Re := UL/\nu \gg 1$ and Froude numbers $Fr :=(2{\rm \pi} U)/(L N) \ll 1$ ( $U$ and $L$ being characteristic velocity and length scales, $\nu$ the kinematic viscosity and $N$ the buoyancy frequency). Since a sufficiently large dynamic range (largely) unaffected by stratification and viscosity is required, it is also necessary for the buoyancy Reynolds number $Re_{b} := \epsilon /(\nu N^{2}) \gg 1$ , where $\epsilon$ is the (appropriately volume-averaged) turbulent kinetic energy dissipation rate. This requirement is exacerbated for oceanically relevant flows, as the Prandtl number $Pr := \nu /\kappa = {O}(10)$ in thermally stratified water (where $\kappa$ is the thermal diffusivity), thus leading (potentially) to even finer density field structures. We report here on four forced fully resolved direct numerical simulations of stratified turbulence at various Froude ( $Fr=0.5, 2$ ) and Prandtl ( $Pr=1, 7$ ) numbers forced so that $Re_{b}=50$ , with resolutions up to $30\,240 \times 30\,240 \times 3780$ . We find that, as $Pr$ increases, emergent ‘interfaces’ become finer and their contribution to bulk mixing characteristics decreases at the expense of the small-scale density structures populating the well-mixed ‘layers’. However, extreme mixing events (as quantified by significantly elevated local destruction rates of buoyancy variance $\chi _0$ ) are always preferentially found in the (statically stable) interfaces, irrespective of the value of $Pr$ .

Mechanics↗
DOE OSTI2021

State densities of heavy nuclei in the static-path plus random-phase approximation

We report that nuclear state densities are important inputs to statistical models of compound-nucleus reactions. State densities are often calculated with self-consistent mean-field approximations that do not include important correlations and must be augmented with empirical collective enhancement factors. Here, we benchmark the static-path plus random-phase approximation (SPA + RPA) to the state density in a chain of samarium isotopes 148–155 Sm against exact results (up to statistical errors) obtained with the shell-model Monte Carlo (SMMC) method. The SPA + RPA method incorporates all static fluctuations beyond the mean field together with small-amplitude quantal fluctuations around each static fluctuation. Using a pairing plus quadrupole interaction, we show that the SPA + RPA state densities agree well with the exact SMMC densities for both the even- and odd-mass isotopes. For the even-mass isotopes, we also compare our results with mean-field state densities calculated with the finite-temperature Hartree-Fock-Bogoliubov (HFB) approximation. We find that the SPA + RPA repairs the deficiencies of the mean-field approximation associated with broken rotational symmetry in deformed nuclei and with the violation of particle-number conservation in the pairing condensate. In particular, in deformed nuclei the SPA + RPA reproduces the rotational enhancement of the state density relative to the mean-field state density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1994

Production of Lithium, Beryllium, and Boron from Baryon inhomogeneous primordial nucleosynthesis

We investigate the possibility that inhomogeneous nucleosynthesis may eventually be used to explain the abundances of Li-6, Be-9, and B in Population II stars. The present work differs from previous studies in that we have used a more extensive reaction network. It is demonstrated that in the simplest scenario the abundances of the light elements with A less than or = 7 constrain the separation of inhomogeneities to sufficently small scales that the model is indistinguishable from homogeneous nucleosynthesis and that the abundnace of Li-6, Be-9, and B are then below observations by several orders of magnitude. This conclusion does not depend on the Li-7 constraint. We also examine alternative scenarios which involve a post-nucleosynthesis reprocessing of the light elements to reproduce the observed abundances of Li and B, while allowing for a somewhat higher baryon density (still well below the cosmological critical density). Future B/H measurements may be able to exclude even this exotic scenario and further restrict primirdial nucleosynthesis to approach the homogeneous model conclusions.

Thomas, David↗
DOE OSTI2020

Atomistic Insight into Cation Effects on Binding Energies in Cu-Catalyzed Carbon Dioxide Reduction

Electrolyte properties in general and electrolyte ions in particular have been shown to have significant effects on the kinetics of electrochemical CO 2 and CO reduction at metal electrodes, but these effects have not yet been fully understood. Here, we investigate the effects of cations at the aqueous electrolyte–Cu(211) interface on adsorbate binding energies and the electrolyte structure using density functional theory (DFT). Charging the interface via explicit Na + has systematic effects on adsorbate–electrolyte interactions and conformations. We describe specific local adsorbate–ion interactions, including direct alkali ion–adsorbate coordination and hydrogen bonding via ion-coordinated water molecules. The relative importance of these specific interactions and purely electrostatic field–adsorbate interactions is investigated by comparing the DFT-calculated ion effects to those predicted by purely electrostatic models of the interface and the adsorbates. We find that the trend in ion effects among different adsorbates at constant surface charge density is well explained by a purely electrostatic interaction model. The binding energy of OCCHO is found to depend strongly on the surface charge density as well as the spatial distribution of ions at constant surface charge density. These effects are also explained by a purely electrostatic local electrostatic field–adsorbate model. This indicates that alkali ion effects can be mainly attributed to purely electrostatic field interactions and that the local field at ion-stabilized active sites can depend significantly on both the overall charge density and on the spatial distribution of ions at constant charge density. This work provides new insight on alkali ion effects on a variety of adsorbates relevant to the CO 2 and CO reduction reactions by describing specific local ion–adsorbate interactions, systematic changes in adsorbate–electrolyte interactions induced by explicit surface charge, and comparisons of the calculated effects on binding energies to simple electrostatic field–adsorbate models to explain trends among various adsorbates and at varying surface charge densities and supercell configurations.

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

Dynamics and nonmonotonic drag for individually driven skyrmions

Here, we examine the motion of an individual skyrmion driven through an assembly of other skyrmions in the absence of quenched disorder. The skyrmion behavior is determined by the ratio of the damping and Magnus terms, known as the intrinsic skyrmion Hall angle. For fixed drive in the damping dominated regime, the effective viscosity decreases monotonically with increasing skyrmion density. In contrast, in the Magnus dominated regime, the velocity varies nonmonotonically with density, and there is a regime in which the skyrmion moves faster with increasing density, as well as a pronounced speed-up effect in which a skyrmion traveling through a dense medium moves more rapidly than for low densities or the single-particle limit. The velocity-force curves in the Magnus-dominated regime exhibit an overshoot effect and other differences from the damping-dominated regime. We find a finite threshold force for skyrmion motion which increases with density as well as a drive-dependent skyrmion Hall angle. We map dynamic phase diagrams showing the threshold for motion, nonlinear flow, speed-up, and saturation regimes. In some cases, increasing the density can reduce the skyrmion Hall angle while producing a velocity boost, which could be valuable for applications.

36 MATERIALS SCIENCE↗