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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Theory of idealized two-dimensional ballute in Newtonian hypersonic flow

A differential equation governing the geometry of a two-dimensional ballute in hypersonic flow and its constraining boundary conditions are derived under idealized assumptions. By solving these equations, the shape of the ballute is determined over a range of conditions. Lift, drag, pitching moment, and the allowed limit of center-of-gravity location for stability (meta-center) are then calculated using Newtonian hypersonic approximation. It is shown that the meta-center occurs near the forward end because of compliance of the ballute membrane to the shock layer pressures, especially at low free-stream densities. In order for the vehicle employing the ballute to be stable at all densities, the center of gravity must be within approximately the forward 20 percent of overall length of the vehicle. However, typical flight trajectories of an aeroassisted orbital transfer vehicle employing the ballute for aerobraking show that the vehicle may be able to complete its atmospheric flight without tumbling provided that the center of gravity is located within the forward 43 percent of the vehicle length because of the relatively short duration of flight through the destabilizing low-density regime.

Park, C.↗
NASA NTRS1990

Innovative design of composite structures: The use of curvilinear fiber format in structural design of composites

The influence is investigated of a curvilinear fiber format on load carrying capacity of a layered fiber reinforced plate with a centrally located hole. A curvilinear fiber format is descriptive of layers in a laminate having fibers which are aligned with the principal stress directions in those layers. Laminates of five curvilinear fiber format designs and four straightline fiber format designs are considered. A quasi-isotropic laminate having a straightline fiber format is used to define a baseline design for comparison with the other laminate designs. Four different plate geometries are considered and differentiated by two values of hole diameter/plate width equal to 1/6 and 1/3, and two values of plate length/plate width equal to 2 and 1. With the plates under uniaxial tensile loading on two opposing edges, alignment of fibers in the curvilinear layers with the principal stress directions is determined analytically by an iteration procedure. In-plane tensile load capacity is computed for all of the laminate designs using a finite element analysis method. A maximum strain failure criterion and the Tsai-Wu failure criterion are applied to determine failure loads and failure modes. Resistance to buckling of the laminate designs to uniaxial compressive loading is analyzed using the commercial code Engineering Analysis Language. Results indicate that the curvilinear fiber format laminates have higher in-plane tensile load capacity and comparable buckling resistance relative to the straightline fiber format laminates.

Charette, R. F.↗
NASA NTRS2019

Aerodynamic and Aerothermal Simulations of Mars Concept Vehicles Using Overset DPLR

NASA's Descent System Studies (DSS) Program is studying various concept vehicles to enable landing of heavy payloads on the surface of Mars. While it is desirable to run high-fidelity CFD simulations to accurately assess the aerodynamic and aerothermal effects of various design changes during EDL, it is usually difficult to quickly generate high-quality grids suitable for such analyses. One approach to address this bottleneck in mesh generation is through the use oversetting grids. Although the overset approach is efficient and powerful in solving partial differential equations on complex geometries, new users often find it challenging to apply overset concepts for their simulations. For example, generating hyperbolic grids with sufficient overlap; priority in hole-cutting on multiple overlapping grids; and fixes to assemble overlapping viscous grids at the body surface. The objective of this presentation is to introduce a simple process that combines the advantages of near-body, point-matched, structured grids with oversetting background grids suitable for grid alignment. This approach allows for grids that can be sequenced, reclustering of mesh spacing at the wall, and grid alignment with the bow shock. The current methodology is tested on a Mid-L/D configuration using the overset DPLR code.

Overset Grids↗
DOE OSTI2022

Thermal model for time-domain thermoreflectance experiments in a laser-flash geometry

Time-domain thermoreflectance (TDTR) is a well-established pump–probe method for measuring thermal conductivity and interface conductance of multilayers. Interpreting signals in a TDTR experiment requires a thermal model. In standard front/front TDTR experiments, both pump and probe beams typically irradiate the surface of a multilayer. As a result, existing thermal models for interpreting thermoreflectance experiments assume that the pump and probe beams both interact with the surface layer. Here, we present a frequency-domain solution to the heat-diffusion equation of a multilayer in response to nonhomogeneous laser heating. This model allows analysis of experiments where the pump and probe beams irradiate opposite sides of a multilayer. We call such a geometry a front/back experiment to differentiate such experiments from standard TDTR experiments. As an example, we consider a 60nm amorphous Si film. We consider how signals differ in a front/front vs front/back geometry and compare thermal model predictions to experimental data.

Peng, Wanyue↗
DOE OSTI2018

Binding Geometries of Silicate Species on Ferrihydrite Surfaces

Silicate sorption on ferrihydrite surfaces, as monomers, oligomers, and polymers, strongly affects ferrihydrite crystallinity, thermodynamic stability, and surface reactivity. How these silicate species bind on ferrihydrite surfaces is, however, not well understood. We have determined silicate binding geometries using a combination of X-ray absorption spectroscopy (XAS), differential atomic pair distribution function (d-PDF) analysis, and density functional theory (DFT) calculations. Silicon K-edge absorption pre-edges and DFT-predicted energies indicate that silicate forms monomeric monodentate–mononuclear (MM) complexes at low silicate sorption loadings. With increasing silicate loading, the pre-edge peak shifts to higher energies, suggesting changes in the silicate binding geometry toward multidentate complexation. The d-PDF analysis determines the Si–Fe interatomic distance to be ~3.25 Å for the high-loading samples. The DFT calculations indicate that such distance corresponds to an oligomer in the bidentate–binuclear (BB) binding geometry. The transition of the silicate sorption geometry accompanied by polymerization can affect stability of ferrihydrite and its adsorption and redox reactivity and increase the degree of Si isotopic fractionation upon silicate sorption on Fe oxides. MM monomeric complexes and BB oligomeric complexes should be used for surface complexation models predicting silicate sorption on Fe oxide surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2009

Probing Millisecond Pulsar Emission Geometry Using Light Curves From the Fermi Large Area Telescope

An interesting new high-energy pulsar sub-population is emerging following early discoveries of gamma-ray millisecond pulsars (MSPs) by the Fermi Large Area Telescope (LAT). We present results from 3D emission modeling, including the Special Relativistic effects of aberration and time-of-flight delays and also rotational sweepback of 13-field lines, in the geometric context of polar cap (PC), slot gap (SG), outer gap (OG), and two-pole caustic (TPC) pulsar models. In contrast to the general belief that these very old, rapidly-rotating neutron stars (NSs) should have largely pair-starved magnetospheres due to the absence of significant pair production, we find that most of the light curves are best fit by SG and OG models, which indicates the presence of narrow accelerating gaps limited by robust pair production -- even in these pulsars with very low spin-down luminosities. The gamma-ray pulse shapes and relative phase lags with respect to the radio pulses point to high-altitude emission being dominant for all geometries. We also find exclusive differentiation of the current gamma-ray MSP population into two MSP sub-classes: light curve shapes and lags across wavebands impose either pair-starved PC (PSPC) or SG / OG-type geometries. In the first case, the radio pulse has a small lag with respect to the single gamma-ray pulse, while the (first) gamma-ray peak usually trails the radio by a large phase offset in the latter case. Finally, we find that the flux correction factor as a function of magnetic inclination and observer angles is typically of order unity for all models. Our calculation of light curves and flux correction factor f(_, _, P) for the case of MSPs is therefore complementary to the "ATLAS paper" of Watters et al. for younger pulsars.

Venter, Christo↗
NASA NTRS1986

Navigating highly elliptical earth orbiters with simultaneous VLBI from orthogonal baseline pairs

Navigation strategies for determining highly elliptical orbits with VLBI are described. The predicted performance of wideband VLBI and Delta VLBI measurements obtained by orthogonal baseline pairs are compared for a 16-hr equatorial orbit. It is observed that the one-sigma apogee position accuracy improves two orders of magnitude to the meter level when Delta VLBI measurements are added to coherent Doppler and range, and the simpler VLBI strategy provides nearly the same orbit accuracy. The effects of differential measurement noise and acquisition geometry on orbit accuracy are investigated. The data reveal that quasar position uncertainty limits the accuracy of wideband Delta VLBI measurements, and that polar motion and baseline uncertainties and offsets between station clocks affect the wideband VLBI data. It is noted that differential one-way range (DOR) has performance nearly equal to that of the more complex Delta DOR and is recommended for use on spacecraft in high elliptical orbits.

Frauenholz, Raymond B.↗
NASA NTRS1996

Development of an Automatic Differentiation Version of the FPX Rotor Code

The ADIFOR2.0 automatic differentiator is applied to the FPX rotor code along with the grid generator GRGN3. The FPX is an eXtended Full-Potential CFD code for rotor calculations. The automatic differentiation version of the code is obtained, which provides both non-geometry and geometry sensitivity derivatives. The sensitivity derivatives via automatic differentiation are presented and compared with divided difference generated derivatives. The study shows that automatic differentiation method gives accurate derivative values in an efficient manner.

Hu, Hong↗
DOE OSTI2016

ACCURATE MODELING OF X-RAY EXTINCTION BY INTERSTELLAR GRAINS

Interstellar abundance determinations from fits to X-ray absorption edges often rely on the incorrect assumption that scattering is insignificant and can be ignored. We show instead that scattering contributes significantly to the attenuation of X-rays for realistic dust grain size distributions and substantially modifies the spectrum near absorption edges of elements present in grains. The dust attenuation modules used in major X-ray spectral fitting programs do not take this into account. We show that the consequences of neglecting scattering on the determination of interstellar elemental abundances are modest; however, scattering (along with uncertainties in the grain size distribution) must be taken into account when near-edge extinction fine structure is used to infer dust mineralogy. We advertise the benefits and accuracy of anomalous diffraction theory for both X-ray halo analysis and near edge absorption studies. We present an open source Fortran suite, General Geometry Anomalous Diffraction Theory (GGADT), that calculates X-ray absorption, scattering, and differential scattering cross sections for grains of arbitrary geometry and composition.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Morphology Effects on Free Energies of Proton-Coupled Electron Transfer in Polyoxotungstates

Polyoxotungstates have previously been established to facilitate the hydrogenation of small molecule substrates via hydrogen atom transfer from reactive hydroxyl groups formed at the assembly surface. Understanding structure−function relationships that dictate the thermochemistry and kinetics of protoncoupled electron transfer is key to controlling this chemistry. In this work, we combine comprehensive electrochemical experiments and density functional theory calculations to address how different polyoxotungstate morphologies, specifically W 6 O 19 −2 , W 10 O 32 −4 , SiW 12 O 40 −4 , and P 2 W 18 O 62 −6 , affect the bond dissociation free energies of surface hydroxides (BDFE(O−H)) formed upon reduction of the assembly in acidic media. Our results reveal increasing hydroxide bond strengths with increasing cluster size, and that anisotropic cluster geometries result in substantial thermodynamic differentiation of H-binding sites. We demonstrate an excellent agreement between theory and experiments on the reported BDFE(O−H) values and, importantly, we elucidate how cluster size and shape affect electronic properties (local charges and frontier molecular orbitals), giving rise to sites with increased preference for hydrogen binding, demonstrated in higher BDFE(O−H). Overall, this work aids the understanding and design of polyoxometalates exhibiting surface sites with tailored interaction strengths.

anions↗
DOE OSTI2018

Phosphorus Dimerization in Gallium Phosphide at High Pressure

Using combined experimental and computational approaches, we show that at 43 GPa and 1300 K gallium phosphide adopts the super-Cmcm structure, here indicated with its Pearson notation oS24. First-principles enthalpy calculations demonstrate that this structure is more thermodynamically stable above ~20 GPa than previously proposed polymorphs. In contrast to other polymorphs, the oS24 phase shows a strong bonding differentiation and distorted fivefold coordination geometries of both P atoms. The shortest bond of the phase is a single covalent P-P bond measuring 2.171(11) Å at synthesis pressure. Phosphorus dimerization in GaP sheds light on the nature of the super-Cmcm phase and provides critical new insights into the high-pressure polymorphism of octet semiconductors. Bond directionality and anisotropy explain the relatively low symmetry of this high-pressure phase.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Impact of parasitic thermal effects on thermoelectric property measurements by Harman method

Harman method is a rapid and simple technique to measure thermoelectric properties. However, its validity has been often questioned due to the over-simplified assumptions that this method relies on. Here, we quantitatively investigate the influence of the previously ignored parasitic thermal effects on the Harman method and develop a method to determine an intrinsic ZT. We expand the original Harman relation with three extra terms: heat losses via both the lead wires and radiation, and Joule heating within the sample. Based on the expanded Harman relation, we use differential measurement of the sample geometry to measure the intrinsic ZT. To separately evaluate the parasitic terms, the measured ZTs with systematically varied sample geometries and the lead wire types are fitted to the expanded relation. A huge discrepancy (∼28%) of the measured ZTs depending on the measurement configuration is observed. We are able to separately evaluate those parasitic terms. This work will help to evaluate the intrinsic thermoelectric property with Harman method by eliminating ambiguities coming from extrinsic effects.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Differential cosmic expansion and the Hubble flow anisotropy

The Universe on scales 10–100 h {sup −1}Mpc is dominated by a cosmic web of voids, filaments, sheets and knots of galaxy clusters. These structures participate differently in the global expansion of the Universe: from non-expanding clusters to the above average expansion rate of voids. In this paper we characterize Hubble expansion anisotropies in the COMPOSITE sample of 4534 galaxies and clusters. We concentrate on the dipole and quadrupole in the rest frame of the Local Group. These both have statistically significant amplitudes. These anisotropies, and their redshift dependence, cannot be explained solely by a boost of the Local Group in the Friedmann-Lemaitre-Robertson-Walker (FLRW) model which expands isotropically in the rest frame of the cosmic microwave background (CMB) radiation. We simulate the local expansion of the Universe with inhomogeneous Szekeres solutions, which match the standard FLRW model on ∼> 100 h {sup −1}Mpc scales but exhibit nonkinematic relativistic differential expansion on small scales. We restrict models to be consistent with observed CMB temperature anisotropies, while simultaneously fitting the redshift variation of the Hubble expansion dipole. We include features to account for both the Local Void and the 'Great Attractor'. While this naturally accounts for the Hubble expansion and CMB dipoles, the simulated quadrupoles are smaller than observed. Further refinement to incorporate additional structures may improve this. This would enable a test of the hypothesis that some large angle CMB anomalies result from failing to treat the relativistic differential expansion of the background geometry; a natural feature of solutions to Einstein's equations not included in the current standard model of cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Preserving Superconvergence of Spectral Elements for Curved Domains [Slides]

Finite Element Methods (FEM) and Spectral Element Methods (SEM) are crucial for solving partial differential equations (PDEs) on complex geometries. SEM offers superior accuracy due to potential superconvergence for simple domains. Challenges persist for domains with curved boundaries, restricting SEM’s advantages in real-world applications. A proposed solution is the introduction of a novel strategy to enhance accuracy and maintain superconvergence of SEM in curved domains. The strategy includes a mesh-generation procedure with geometrically refined elements near curved boundaries and a post-processing phase using the Adaptive Extended Stencil Finite Element Method (AES-FEM). The method, named AES-FEM post-processed Spectral Element Method (ApSEM), aligns the accuracy of non-tensor-product elements with superconvergent spectral elements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

On the Geometry of the Near-core Magnetic Field in Massive Stars

It is well-known that the cores of massive stars sustain a stellar dynamo with a complex magnetic field configuration. However, the same cannot be said for the field's strength and geometry at the convective–radiative boundary, which are crucial when performing asteroseismic inference. In this Letter, we present 3D magnetohydrodynamic (MHD) simulations of a 7 M ⊙ mid-main-sequence star, with particular attention given to the convective–radiative boundary in the near-core region. Our simulations reveal that the toroidal magnetic field is significantly stronger than the poloidal field in this region, contrary to recent assumptions. Moreover, the rotational shear layer, also important for asteroseismic inference, is specifically confined within the extent of the Brunt–Väisälä frequency peak. These results, which are based on the inferred properties of HD 43317, have widespread implications for asteroseismic studies of rotation, mixing, and magnetism in stars. While we expect our results to be broadly applicable across stars with similar Brunt–Väisälä frequency profiles and stellar masses, we also expect the MHD parameters (e.g., Re m ) and the initial stellar rotation rate to impact the geometry of the field and differential rotation at the convective–radiative interface.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2001

Candle Flames in Microgravity

The goal of this work is to study both experimentally and numerically the behavior of a candle flame burning in a microgravity environment. Two space experiments (Shuttle and Mir) have shown the candle flame in microgravity to be small (approximately 1.5 cm diameter), dim blue, and hemispherical. Near steady flames with very long flame lifetimes (up to 45 minutes in some tests) existed for many of the tests. Most of the flames spontaneously oscillated with a period of approximately 1 Hz just prior to extinction). In a previous model of candle flame in microgravity, a porous sphere wetted with liquid fuel simulated the evaporating wick. The sphere, with a temperature equal to the boiling temperature of the fuel, was at the end of an inert cone that had a prescribed temperature. This inert cone produces the quenching effect of the candle wax in the real configuration. Although the computed flame shape resembled that observed in the microgravity experiment, the model was not able to differentiate the effect of wick geometry, e.g., a long vs. a short wick. This paper presents recent developments in the numerical model of the candle flame. The primary focus has been to more realistically account for the actual shape of the candle.

Dietrich, D. L.↗
DOE OSTI2018

The singularity structure of scale-invariant rank-2 Coulomb branches

We compute the spectrum of scaling dimensions of Coulomb branch operators in 4d rank-2 N=2 superconformal field theories. Only a finite rational set of scaling dimensions is allowed. It is determined by using information about the global topology of the locus of metric singularities on the Coulomb branch, the special Kähler geometry near those singularities, and electric-magnetic duality monodromies along orbits of the U(1) R symmetry. With this beind said, a set of novel topological and geometric results are developed which promise to be useful for the study and classification of Coulomb branch geometries at all ranks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Hartree-Fock calculation of the differential photoionization cross sections of small Li clusters

Cross sections and angular distribution parameters for the single-photon ionization of all electron orbitals of Li{sub 2−8} are systematically computed in a broad interval of the photoelectron kinetic energies for the energetically most stable geometry of each cluster. Calculations of the partial photoelectron continuum waves in clusters are carried out by the single center method within the Hartree-Fock approximation. We study photoionization cross sections per one electron and analyze in some details general trends in the photoionization of inner and outer shells with respect to the size and geometry of a cluster. The present differential cross sections computed for Li{sub 2} are in a good agreement with the available theoretical data, whereas those computed for Li{sub 3−8} clusters can be considered as theoretical predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗