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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Broken symmetry approach to density functional calculation of zero field splittings including anisotropic exchange interactions

The broken symmetry approach to the calculation of zero field splittings (or magnetic anisotropies) of multinuclear transition metal complexes is further developed. A procedure is suggested how to extract spin Hamiltonian parameters for anisotropic exchange from a set of broken symmetry density functional calculations. For isotropic exchange coupling constants J{sub ij}, the established procedure is retrieved, and anisotropic (or pseudodipolar) exchange coupling tensors D{sub ij} are obtained analogously. This procedure only yields the sum of the individual single-ion zero field splitting tensors D{sub i}. Therefore, a procedure based on localized orbitals has been developed to extract the individual single-ion contributions. With spin Hamiltonian parameters at hand, the zero field splittings of the individual spin multiplets are calculated by an exact diagonalization of the isotropic part, followed by a spin projection done numerically. The method is applied to the binuclear cation [LCr(OH){sub 3}CrL]{sup 3+} (L = 1,4,7-trimethyl-1,4,7-triazanonane) for which experimental zero field splittings for all low-energy spin states are known, and to the single-molecule magnet [Fe{sub 4}(CH{sub 3}C(CH{sub 2}O){sub 3}){sub 2}(dpm){sub 6}] (Hdpm = 2,2,6,6-tetramethylheptane-3,5-dione). In both these 3d compounds, the single-ion tensors mainly come from the spin-orbit interaction. Anisotropic exchange is dominated by the spin-dipolar interaction only for the chromium compound. Despite the rather small isotropic exchange couplings in the iron compound, spin-orbit and spin-dipolar contributions to anisotropic exchange are of similar size here.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Analysis of oil lubricated, fluid film, thrust bearings with allowance for temperature dependent viscosity

A preliminary design study was performed to seek a fluid-film thrust bearing design intended to be part of a high-speed, hybrid (rolling element/fluid film) bearing configuration. The base line used is a design previously tested. To improve the accuracy of theoretical predictions of load capacity, flow rate, and friction power loss, an analytical procedure was developed to include curvature effects inherent in thrust bearings and to allow for the temperature rise in the fluid due to viscous heating. Also, a narrow-groove approximation in the treatment of the temperature field was formulated to apply the procedure to the Whipple thrust bearing. A comparative trade-off study was carried out assuming isothermal films; its results showed the shrouded-step design to be superior to the Whipple design for the intended application. An extensive parametric study was performed, employing isoviscous calculations, to determine the optimized design, which was subsequently recalculated allowing for temperature effects.

Pan, C. H. T.↗
NASA NTRS1998

Evaluation of Transverse Thermal Stresses in Composite Plates Based on First-Order Shear Deformation Theory

A postprocessing procedure is presented for the evaluation of the transverse thermal stresses in laminated plates. The analytical formulation is based on the first-order shear deformation theory and the plate is discretized by using a single-field displacement finite element model. The procedure is based on neglecting the derivatives of the in-plane forces and the twisting moments, as well as the mixed derivatives of the bending moments, with respect to the in-plane coordinates. The calculated transverse shear stiffnesses reflect the actual stacking sequence of the composite plate. The distributions of the transverse stresses through-the-thickness are evaluated by using only the transverse shear forces and the thermal effects resulting from the finite element analysis. The procedure is implemented into a postprocessing routine which can be easily incorporated into existing commercial finite element codes. Numerical results are presented for four- and ten-layer cross-ply laminates subjected to mechanical and thermal loads.

Rolfes, R.↗
NASA NTRS1980

Investigation of the effects of external current systems on the MAGSAT data utilizing grid cell modeling techniques

The feasibility of modeling magnetic fields due to certain electrical currents flowing in the Earth's ionosphere and magnetosphere was studied. Initial efforts were devoted to reading MAGSAT data tapes in preparation for further analysis of the MAGSAT data. Further efforts concern a modeling procedure developed to compute the magnetic field at satellite orbit due to hypothesized current distributions in the ionosphere and magnetosphere. This technique utilizes a linear current element representation of the large scale space current system.

Klumpar, D. M.↗
DOE OSTI2010

Doppler coherence imaging and tomography of flows in tokamak plasmas (invited)

This article describes the results of spatial heterodyne Doppler ''coherence imaging'' of carbon ion flows in the divertor region of the DIII-D tokamak. Spatially encoded interferometric projections of doubly ionized carbon emission at 465 nm have been demodulated and tomographically inverted to obtain the spatial distribution of the carbon ion parallel flow and emissivity. The operating principles of the new instruments are described, and the link between measured properties and line integrals of the flow field are established. An iterative simultaneous arithmetic reconstruction procedure is applied to invert the interferometric phase shift projections, and the reconstructed parallel flow field amplitudes are found to be in reasonable agreement with UEDGE modeling.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1993

Second order distorted born approximation for backscattering from a layer of discrete random medium

In recent years there has been increasing interest in scattering and depolarization characteristics of the vegetation canopies. Scattering models applied to the microwave remote sensing of vegetation canopies showed that multiple scattering effects can be important in simulating the backscattering coefficients correctly. In particular, in most applications, the cross-polarized backscattering coefficients are often underestimated by single scattering models. Recently, there have been concerted efforts to include the second order terms in the radiative transfer models of vegetation canopies in order to account for multiple scattering within the canopy. The coherent wave theory approach is extended to include multiple scattering effects to predict the coherent and incoherent backscattering contributions from a layer of vegetation canopy. The problem is initially formulated in terms of the exact equation for the correlation function of the field, i.e., the Bethe-Salpeter equation. Using fractional volume as a small parameter, a Foldy type approximation is made to obtain a more manageable correlation equation. This equation is iterated to obtain first and second order solutions. The iteration procedure assumes the variance of the field fluctuations are small compared to the coherent intensity. This assumption proved to be particularly successful in computing backscattering coefficients. First and second order backscattering coefficients are calculated from the iterants of the correlation equation. It is shown that the first order coefficients are the same as the distorted Born results used previously by the authors. These results contained enhancement terms in the direct-reflected contributions. The important contributions to second order backscattering are examined and interpreted in terms of scattering diagrams. Examples of situations in which second order backscattering coefficients are important are given.

Lang, Roger H.↗
NASA NTRSDate not supplied

Acoustic Mode Decomposition in Rectangular Ducts with Sheared Flow

The performance of new acoustic liner concepts are, in general, characterized and assessed in grazing flow rigs early in the development cycle. These test rigs expose an acoustic liner sample, installed on the side wall of the duct, to a grazing flow and incident acoustic field. The process to characterize these liners involves educing the impedance on the wall where the sample is installed and examining the acoustic power attenuation. Standard approaches to computing impedance or power attenuation generally consider only the effects of a 2D shear flow or uniform flow, on the acoustic field. In this study, the objective is to incorporate 3D shear flow effects in the analysis of acoustic mode attenuation in a rectangular duct flow rig. A modal analysis of microphone measurements obtained on the side walls of the duct upstream and downstream of the test section of the rig is developed. A Galerkin projection of the Pridmore-Brown equation is performed with Chebyshev basis functions in order to incorporate the effects of the Mach number profile on the computation of the axial wavenumber of each mode. Measurements of the Mach number profile are obtained in the test rig and used as input to compute the modes. Comparisons made between the sound field computed with traditional convective Helmholtz modes and the new procedure using Pridmore-Brown modes indicate that the computed acoustic field using Pridmore-Brown modes more accurately reconstructs the acoustic signal at each microphone in the array. The mode structure of the lowest-order mode is shown to be significantly impacted by shear flow refraction effects, and higher-order mode structures are also affected at higher frequencies and centerline Mach number. An assessment of the acoustic mode attenuation for two acoustic liner samples demonstrates that the computed mode amplitudes for both the traditional and new approach are in agreement for the lowest-order mode, but discrepancies arise when higher-order modes are the dominant component of the acoustic field.

Duct acoustics↗
NASA NTRSDate not supplied

Acoustic Mode Decomposition in Rectangular Ducts with Sheared Flow

The performance of new acoustic liner concepts are, in general, characterized and assessed in grazing flow rigs early in the development cycle. These test rigs expose an acoustic liner sample, installed on the side wall of the duct, to a grazing flow and incident acoustic field. The process to characterize these liners involves educing the impedance on the wall where the sample is installed and examining the acoustic power attenuation. Standard approaches to computing impedance or power attenuation generally consider only the effects of a 2D shear flow or uniform flow, on the acoustic field. In this study, the objective is to incorporate 3D shear flow effects in the analysis of acoustic mode attenuation in a rectangular duct flow rig. A modal analysis of microphone measurements obtained on the side walls of the duct upstream and downstream of the test section of the rig is developed. A Galerkin projection of the Pridmore-Brown equation is performed with Chebyshev basis functions in order to incorporate the effects of the Mach number profile on the computation of the axial wavenumber of each mode. Measurements of the Mach number profile are obtained in the test rig and used as input to compute the modes. Comparisons made between the sound field computed with traditional convective Helmholtz modes and the new procedure using Pridmore-Brown modes indicate that the computed acoustic field using Pridmore-Brown modes more accurately reconstruct the acoustic signals at each microphone in the array. The mode structure of the lowest order mode is shown to be significantly impacted by shear flow refraction effects, and higher order mode structures are also effected at higher frequencies and centerline Mach number. An assessment of the acoustic mode attenuation for two acoustic liner samples demonstrates that the computed mode amplitudes for both the traditional and new approach are in agreement for the lowest order mode, but discrepancies arise when higher order modes are the dominant component of the acoustic field.

Duct acoustics↗
NASA NTRS1991

A redshift survey of IRAS galaxies. III - Reconstruction of the velocity and density fields in N-body model universes

N-body simulations of a 'cold dark matter' universe are presently used to calibrate the accuracy, and assess the limitations, of the procedure previously employed to predict the velocity field within 8000 km/sec of the Local Group through the application of linear gravitational theory to a full-sky, flux-limited sample of IRAS galaxies. The rms difference between the one-dimensional acceleration and velocity of field particles is an increasing function of local density; linear theory can in this way account for all but one-sixth of kinetic energy. A series of artificial IRAS catalogs closely matching the real sample in space density and clustering amplitude is constructed. Velocity correlation functions are used to demonstrate that the predicted velocity fields are in good agreement with the true velocity fields on large scales.

Davis, Marc↗
NASA NTRS1973

A computer program for calculating the perfect gas inviscid flow field about blunt axisymmetric bodies at an angle of attack of 0 deg

A method for the rapid calculation of the inviscid shock layer about blunt axisymmetric bodies at an angle of attack of 0 deg has been developed. The procedure is of an inverse nature, that is, a shock wave is assumed and calculations proceed along rays normal to the shock. The solution is iterated until the given body is computed. The flow field solution procedure is programed at the Langley Research Center for the Control Data 6600 computer. The geometries specified in the program are sphores, ellipsoids, paraboloids, and hyperboloids which may conical afterbodies. The normal momentum equation is replaced with an approximate algebraic expression. This simplification significantly reduces machine computation time. Comparisons of the present results with shock shapes and surface pressure distributions obtained by the more exact methods indicate that the program provides reasonably accurate results for smooth bodies in axisymmetric flow. However, further research is required to establish the proper approximate form of the normal momentum equation for the two-dimensional case.

Zoby, E. V.↗
NASA NTRS2012

Aircraft Design Considerations to Meet One Engine Inoperative (OEI) Safety Requirements

Commercial airlines are obligated to operate such that an aircraft can suffer an engine failure at any point in its mission and terminate the flight without an accident. Only minimal aircraft damage is allowable, such as brake replacement due to very heavy application, or an engine inspection and/or possible removal due to use of an emergency rating. Such performance criteria are often referred to as zero exposure, referring to zero accident exposure to an engine failure. The critical mission segment for meeting one engine inoperative (OEI) criteria is takeoff. For a given weight, wind, and ambient condition, fixed wing aircraft require a balanced field length. This is the longer of the distance to take off if an engine fails at a predetermined critical point in the takeoff profile, or the distance to reject the takeoff and brake to a stop. Rotorcraft have requirements for horizontal takeoff procedures that are equivalent to a balanced field length requirements for fixed wing aircraft. Rotorcraft also perform vertical procedures where no runway or heliport distance is available. These were developed primarily for elevated heliports as found on oil rigs or rooftops. They are also used for ground level operations as might be found at heliports at the end of piers or other confined areas.

Scott, Mark W.↗
NASA NTRS2003

Mapping Soil pH Buffering Capacity of Selected Fields

Soil pH buffering capacity, since it varies spatially within crop production fields, may be used to define sampling zones to assess lime requirement, or for modeling changes in soil pH when acid forming fertilizers or manures are added to a field. Our objective was to develop a procedure to map this soil property. One hundred thirty six soil samples (0 to 15 cm depth) from three Georgia Coastal Plain fields were titrated with calcium hydroxide to characterize differences in pH buffering capacity of the soils. Since the relationship between soil pH and added calcium hydroxide was approximately linear for all samples up to pH 6.5, the slope values of these linear relationships for all soils were regressed on the organic C and clay contents of the 136 soil samples using multiple linear regression. The equation that fit the data best was b (slope of pH vs. lime added) = 0.00029 - 0.00003 * % clay + 0.00135 * % O/C, r(exp 2) = 0.68. This equation was applied within geographic information system (GIS) software to create maps of soil pH buffering capacity for the three fields. When the mapped values of the pH buffering capacity were compared with measured values for a total of 18 locations in the three fields, there was good general agreement. A regression of directly measured pH buffering capacities on mapped pH buffering capacities at the field locations for these samples gave an r(exp 2) of 0.88 with a slope of 1.04 for a group of soils that varied approximately tenfold in their pH buffering capacities.

Weaver, A. R.↗
NASA NTRS1987

The rotationally modulated Zeeman spectrum at nearly 10 to the 9th Gauss of the white dwarf PG 1031 + 234

Detailed analyses are performed of high-quality, phase-resolved CCD spectroscopy of the absorption-line spectrum throughout its rotation period of the new white dwarf PG 1031 + 234. The spectral variations are discussed and compared with new theoretical calculations of the behavior of hydrogen in strong magnetic fields. This analysis is then extended through a modeling procedure which produces a synthetic magnetically distorted spectrum for a star of arbitrary field strength and structure. The results confirm that PG 1031 + 234 possesses the strongest field yet detected on a white dwarf, with regions on the surface spanning the range of about 200 to nearly 1000 MG. The spectroscopic data reflect a field pattern containing a slightly offset global component of polar field strength of about 500 MG together with a localized magnetic 'spot' whose central field approaches 2000 MG.

Latter, William B.↗
DOE OSTI2016

Divergence preserving reconstruction of the nodal components of a vector field from its normal components to edges

We have developed a new divergence preserving method for the reconstruction of the Cartesian components of a vector field from the orthogonal projection of a vector field to the normals to edges in two dimensional. In this method, discrete divergences computed from the nodal components and from the normal ones are exactly the same. Our new method consists of two stages. At the first stage, we use an extended version of the local procedure described in [J. Comput. Phys., 139:406–409, 1998] to obtain a ‘reference’ nodal vector. This local procedure is exact for linear vector fields; however, the discrete divergence is not preserved. Then, we formulate a constrained optimization problem, in which this reference vector plays the role of a target, and the divergence constraints are enforced by using Lagrange multipliers. It leads to the solution of ‘elliptic’ like discrete equations for the cell-centered Lagrange multipliers. The new global divergence preserving method is exact for linear vector fields. Here in this paper, we describe all details of our new method and present numerical results, which confirm our theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Tracking the Magnetic Flux in and Around Sunspots

We have developed a procedure for tracking sunspots observed by the Helioseismic and Magnetic Imager on the Solar Dynamics Observatory and for making curvature-corrected space/time maps of the associated line-of-sight magnetic field and continuum intensity. We apply this procedure to 36 sunspots, each observed continuously for nine days around its central meridian passage time, and find that the proper motions separate into two distinct components depending on their speeds. Fast (∼3–5 km s{sup −1}) motions, comparable to Evershed flows, are produced by weak vertical fluctuations of the horizontal canopy field and recur on a timescale of 12–20 min. Slow (∼0.3–0.5 km s{sup −1}) motions diverge from a sunspot-centered ring whose location depends on the size of the sunspot, occurring in the mid-penumbra for large sunspots and at the outer edge of the penumbra for small sunspots. The slow ingoing features are contracting spokes of a quasi-vertical field of umbral polarity. These inflows disappear when the sunspot loses its penumbra, and may be related to inward-moving penumbral grain. The slow outgoing features may have either polarity depending on whether they originate from quasi-vertical fields of umbral polarity or from the outer edge of the canopy. When a sunspot decays, the penumbra and canopy disappear, and the moat becomes filled with slow outflows of umbral polarity. We apply our procedure to decaying sunspots, to long-lived sunspots, and to numerical simulations of a long-lived sunspot by Rempel.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Tuning the Electronic Structure of Anatase Through Fluorination

A highly fluorinated anatase lattice has been recently reported, providing a new class of materials whose general chemical formula is T i1-x $\square$ x X 4x O 2-4x (X - = F - or OH - ). To characterise the complex structural features of the material and the different F environments, we here apply a computational screening procedure. After deriving a polarisable force—field from DFT simulations, we screen in a step-wise fashion a large number of possible configurations differing in the positioning of the titanium vacancies ($\square$) and of the fluorine atoms. At each step only 10% of the configurations are retained. At the end of the screening procedure, a configuration is selected and simulated using DFT-based molecular dynamics. This allows us to analyse the atomic structure of the material, which is strongly disordered, leading to a strong decrease (by 0.8 eV) of the band gap compared to conventional anatase.

Science & Technology - Other Topics↗
NASA NTRS1986

Constraints on geomagnetic secular variation modeling from electromagnetism and fluid dynamics of the Earth's core

A spherical harmonic representation of the geomagnetic field and its secular variation for epoch 1980, designated GSFC(9/84), is derived and evaluated. At three epochs (1977.5, 1980.0, 1982.5) this model incorporates conservation of magnetic flux through five selected patches of area on the core/mantle boundary bounded by the zero contours of vertical magnetic field. These fifteen nonlinear constraints are included like data in an iterative least squares parameter estimation procedure that starts with the recently derived unconstrained field model GSFC (12/83). Convergence is approached within three iterations. The constrained model is evaluated by comparing its predictive capability outside the time span of its data, in terms of residuals at magnetic observatories, with that for the unconstrained model.

Benton, E. R.↗
DOE OSTI2015

The linear and nonlinear response of infinite periodic systems to static and/or dynamic electric fields. Implementation in CRYSTAL code

An implementation of the vector potential approach (VPA) for treating the response of infinite periodic systems to static and dynamic electric fields has been initiated within the CRYSTAL code. The VPA method is based on the solution of a time-dependent Hartree-Fock or Kohn-Sham equation for the crystal orbitals wherein the usual scalar potential, that describes interaction with the field, is replaced by the vector potential. This equation may be solved either by perturbation theory or by finite field methods. With some modification all the computational procedures of molecular ab initio quantum chemistry can be adapted for periodic systems. Accessible properties include the linear and nonlinear responses of both the nuclei and the electrons. The programming of static field pure electronic (hyper)polarizabilities has been successfully tested. Dynamic electronic (hyper)polarizabilities, as well as infrared and Raman intensities, are in progress while the addition of finite fields for calculation of vibrational (hyper)polarizabilities, through nuclear relaxation procedures, will begin shortly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗