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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Theoretical analysis of aircraft afterbody flow

Computational methods solving the thin shear layer formulation of the compressible, Reynolds-averaged Navier-Stokes equations are presently used to investigate the strongly interactive flow field about aircraft afterbodies. Solutions for a variety of axisymmetric afterbody and nozzle geometries are solved by means of a time-dependent implicit numerical algorithm for both subsonic and supersonic external flows, and the results obtained are compared with experimental data. A novel adaptive-grid technique is used to resolve flow regimes having large gradients, as well as to improve the accuracy and efficiency of the computational scheme.

Deiwert, George S.↗
DOE OSTI2025

Experimental and computational studies on high-entropy carbide MoNbTaVWC 5 under high pressures

High-entropy carbide, MoNbTaVWC 5 , was synthesized from oxide precursors of the constituent metals, mixed with graphite powder in a microwave-generated hydrogen plasma at 26.66 kPa and 2100 °C. Ambient x-ray diffraction analysis confirms the full conversion of oxide precursors into a single-phase, face-centered cubic structure with a lattice parameter a = 4.3309 Å. Nanoindentation measured a hardness of 24.5 ± 1.3 GPa and an elastic modulus of 386 ± 22 GPa. The synthesized sample, mixed with a copper pressure marker, was studied by the radial x-ray diffraction technique with beryllium gasketing in a diamond anvil cell up to 70 GPa. The experimentally measured pressure–volume curve and shear strength were compared with theoretical predictions using the special quasi-random structure technique and density functional theory. MoNbTaVWC 5 achieved a 12% volume compression at 70 GPa and exhibited a high shear strength of 6.6 GPa. The present study demonstrates that the high-entropy carbide MoNbTaVWC 5 exhibits exceptional incompressibility and high strength under extreme conditions.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Computation of transonic boattail flow with separation

The relaxation procedure of South and Jameson for the full potential transonic flow equation was coupled to a modified Reshotko-Tucker integral boundary-layer technique with an empirical model for separated flow. The viscous and inviscid flows were solved iteratively until convergence was obtained. This iterative method was then applied to the subsonic and transonic flow over a series of axisymmetric circular-arc boattails with solid jet plume simulators. Comparisons of theoretical and experimental surface pressures and boattail drag are presented over a free-stream Mach numbers below 0.90. The qualitative variation of boattail drag with free-stream Mach number and boattail angle well into the region of transonic drag rise was correctly predicted; however, the absolute drag levels were significantly underpredicted. For separated flows, the empirical discriminating streamline model gives good results up to a free-stream Mach number of about 0.90 and allows reasonable predictions for shock-induced separation if the proper separation location and separation turning angle are known.

Wilmoth, R. G.↗
NASA NTRS1984

Investigation of dynamic noise affecting geodynamics information in a tethered subsatellite

The effects of a tethered satellite system's internal dynamics on the subsatellite were calculated including both overall motions (libration and attitude oscillations) and internal tether oscillations. The SKYHOOK tether simulation program was modified to operate with atmospheric density variations and to output quantities of interest. Techniques and software for analyzing the results were developed including noise spectral analysis. A program was begun for computing a stable configuration of a tether system subject to air drag. These configurations will be of use as initial conditions for SKYHOOK and, through linearized analysis, directly for stability and dynamical studies. A case study in which the subsatellite traverses an atmospheric density enhancement confirmed some theoretical calculations, and pointed out some aspects of the interaction with the tether system dynamics.

Gullahorn, G. E.↗
NASA NTRS1984

Supersonic second order analysis and optimization program user's manual

Approximate nonlinear inviscid theoretical techniques for predicting aerodynamic characteristics and surface pressures for relatively slender vehicles at supersonic and moderate hypersonic speeds were developed. Emphasis was placed on approaches that would be responsive to conceptual configuration design level of effort. Second order small disturbance theory was utilized to meet this objective. Numerical codes were developed for analysis and design of relatively general three dimensional geometries. Results from the computations indicate good agreement with experimental results for a variety of wing, body, and wing-body shapes. Case computational time of one minute on a CDC 176 are typical for practical aircraft arrangement.

Clever, W. C.↗
DOE OSTI2024

Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds

X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret experimental spectra and draw physical insights. Recently, there has also been growing interest in building computational XAS databases to enable data analytics and machine learning applications. However, there are non-trivial differences among commonly used XAS simulation codes, both in underlying theoretical formalism and in technical implementation. Reliable and reproducible computational XAS databases require systematic benchmark studies. In this work, we benchmarked Ti K-edge XAS simulations of ten representative Ti-O binary compounds, which we refer to as the Ti-O-10 dataset, using three state-of-the-art codes: XSPECTRA, OCEAN and exciting. We systematically studied the convergence behavior with respect to the input parameters and developed a workflow to automate and standardize the calculations to ensure converged spectra. Our benchmark comparison considers a 35 eV spectral range starting from the K-edge onset, representative of widely used near-edge spectra. Quantitative comparison over this range is based on Spearman’s rank correlation score (r sp ). Our results show: (1) the two Bethe-Salpeter equation (BSE) codes (OCEAN and exciting) have excellent agreement with an average $r$ $sp$ of 0.998; (2) good agreement is obtained between the core-hole potential code (XSPECTRA) and BSE codes (OCEAN and exciting) with an average $r$ $sp$ of 0.990, and this smaller $r$ $sp$ reflects the noticeable differences in the main edge spectral shape that can be primarily attributed to the difference in the strength of the screened core-hole potential; (3) simulations from both methods overall reproduce well the main experimental spectral features of rutile and anatase, and the different treatments of the screened core-hole potential have visible impact on pre-edge intensities and the peak ratio of the main edge; (4) there exist moderate differences in the relative edge alignment of the three codes with a standard deviation of about 0.2 eV, which arise from multiple contributions including the frozen core approximation, final state effects, and different approximations used for the self-energy correction. In conclusion, our benchmark study provides important standards for first-principles XAS simulations with broad impact in data-driven XAS analysis.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Microgravity sciences application visiting scientist program

Contract NAS8-38785, Microgravity Experimental and Theoretical Research, is a project involving a large number of individual research programs related to: determination of the structure of human serum albumin and other biomedically important proteins; analysis of thermodynamic properties of various proteins and models of protein nucleation; development of experimental techniques for the growth of protein crystals in space; study of the physics of electrical double layers in the mechanics of liquid interfaces; computational analysis of vapor crystal growth processes in microgravity; analysis of the influence of magnetic fields in damping residual flows in directional solidification processes; crystal growth and characterization of II-VI semiconductor alloys; and production of thin films for nonlinear optics. It is not intended that the programs will be necessarily limited to this set at any one time. The visiting scientists accomplishing these programs shall serve on-site at MSFC to take advantage of existing laboratory facilities and the daily opportunities for technical communications with various senior scientists.

Source record↗
NASA NTRS1994

Aspects of Unstructured Grids and Finite-Volume Solvers for the Euler and Navier-Stokes Equations

One of the major achievements in engineering science has been the development of computer algorithms for solving nonlinear differential equations such as the Navier-Stokes equations. These algorithms are now used in the practical engineering design of devices such as cars and airplanes as well as theoretical studies of complex phenomena such as fluid turbulence. In past years, limited computer resources have motivated the development of efficient numerical methods in computational fluid dynamics (CFD) utilizing structured meshes. These meshes are comprised of systematic arrays of quadrilateral or hexahedral cells. The use of structured meshes greatly simplifies the implementation of CFD algorithms on conventional computers. Structured meshes also permit the use of highly efficient solution techniques such as alternating direction implicit (ADI) iteration schemes or multigrid. Following the dramatic improvement in computing speed in recent years, emphasis has shifted towards the design of algorithms capable of treating complex geometries. The automatic generation of structured grids about complex geometries is problematic. Unstructured grids offer one promising alternative technique for treating these general geometries. Unstructured meshes have irregular connectivity and usually contain triangles and/or quadrilaterals in two dimensions and tetrahedra and/or hexahedra in three dimensions. The generation and use of unstructured grids poses new challenges in computational fluid dynamics. This is true for both grid generation as well as for the design of algorithms for flow solution. The purpose of these notes is to present recent developments in the unstructured grid generation and flow solution technology.

Barth, T. J.↗
DOE OSTI2021

Efficient Precoding for Single Carrier Modulation in Multi-User Massive MIMO Networks

Abstract—Frequency domain (FD) multi-user detection (MUD) and precoding has been shown to be an effective means of approaching the theoretical per-user capacity for single carrier modulation (SCM) schemes in massive MIMO scenarios with highly dispersive channels. When a cyclic prefix is added to the SCM waveform, the circulant structures of the resulting convolutional channel matrix allows for relatively simple expressions for the FD detection and precoding. In this paper, we further refine the computationally efficient minimum mean squared error (MMSE) FD-MUD technique in a time-division duplexing (TDD) massive MIMO setup by pre-computing the scale factor needed to produce an unbiased estimate. The resulting scale factor and the matrix inverse that was calculated for the uplink is then reused for the downlink to form a computationally efficient precoding scheme with superior performance compared to zero-forcing (ZF) precoding. Performance analysis is provided and confirmed through simulation results.

5G and Beyond Communications↗
DOE OSTI2025

Randomized Preconditioned Solvers for Strong Constraint 4D-Var Data Assimilation

The Strong Constraint 4D Variational (SC-4DVAR) data assimilation method is widely used in climate and weather applications. SC-4DVAR involves solving a minimization problem to compute the maximum a posteriori estimate, which we tackle using the Gauss-Newton method. The computation of the descent direction is expensive since it involves the solution of a large-scale and potentially ill-conditioned linear system, solved using the preconditioned conjugate gradient (PCG) method. Here, to address this cost, we efficiently construct scalable preconditioners using three different randomization techniques, which all rely on a certain low-rank structure involving the Gauss-Newton Hessian. The proposed techniques come with theoretical guarantees on the condition number, and at the same time, are amenable to parallelization. We also develop an adaptive approach to estimate the sketch size and choose between the reuse or recomputation of the preconditioner. We demonstrate the performance and effectiveness of our methodology on two representative model problems—the Burgers and barotropic vorticity equation—showing a drastic reduction in both the number of PCG iterations and the number of Gauss-Newton Hessian products after including the preconditioner construction cost.

Gauss-Newton↗
NASA NTRS1991

Programming Probabilistic Structural Analysis for Parallel Processing Computer

The ultimate goal of this research program is to make Probabilistic Structural Analysis (PSA) computationally efficient and hence practical for the design environment by achieving large scale parallelism. The paper identifies the multiple levels of parallelism in PSA, identifies methodologies for exploiting this parallelism, describes the development of a parallel stochastic finite element code, and presents results of two example applications. It is demonstrated that speeds within five percent of those theoretically possible can be achieved. A special-purpose numerical technique, the stochastic preconditioned conjugate gradient method, is also presented and demonstrated to be extremely efficient for certain classes of PSA problems.

Sues, Robert H.↗
NASA NTRS1994

Determining the accuracy of maximum likelihood parameter estimates with colored residuals

An important part of building high fidelity mathematical models based on measured data is calculating the accuracy associated with statistical estimates of the model parameters. Indeed, without some idea of the accuracy of parameter estimates, the estimates themselves have limited value. In this work, an expression based on theoretical analysis was developed to properly compute parameter accuracy measures for maximum likelihood estimates with colored residuals. This result is important because experience from the analysis of measured data reveals that the residuals from maximum likelihood estimation are almost always colored. The calculations involved can be appended to conventional maximum likelihood estimation algorithms. Simulated data runs were used to show that the parameter accuracy measures computed with this technique accurately reflect the quality of the parameter estimates from maximum likelihood estimation without the need for analysis of the output residuals in the frequency domain or heuristically determined multiplication factors. The result is general, although the application studied here is maximum likelihood estimation of aerodynamic model parameters from flight test data.

Morelli, Eugene A.↗
NASA NTRS2005

Inference of Ice Cloud Properties from High-spectral Resolution Infrared Observations

The theoretical basis is explored for inferring the microphysical properties of ice crystal from high-spectral resolution infrared observations. A radiative transfer model is employed to simulate spectral radiances to address relevant issues. The extinction and absorption efficiencies of individual ice crystals, assumed as hexagonal columns for large particles and droxtals for small particles, are computed from a combination of the finite- difference time-domain (FDTD) technique and a composite method. The corresponding phase functions are computed from a combination of FDTD and an improved geometric optics method (IGOM). Bulk scattering properties are derived by averaging the single- scattering properties of individual particles for 30 particle size distributions developed from in situ measurements and for additional four analytical Gamma size distributions for small particles. The non-sphericity of ice crystals is shown to have a significant impact on the radiative signatures in the infrared (IR) spectrum; the spherical particle approximation for inferring ice cloud properties may result in an overest&ation of the optical thickness and an inaccurate retrieval of effective particle size. Furthermore, we show that the error associated with the use of the Henyey-Greenstein phase function can be as larger as 1 K in terms of brightness temperature for larger particle effective size at some strong scattering wavenumbers. For small particles, the difference between the two phase functions is much less, with brightness temperatures generally differing by less than 0.4 K. The simulations undertaken in this study show that the slope of the IR brightness temperature spectrum between 790-960/cm is sensitive to the effective particle size. Furthermore, a strong sensitivity of IR brightness temperature to cloud optical thickness is noted within the l050-1250/cm region. Based on this spectral feature, a technique is presented for the simultaneous retrieval of the visible optical thickness and effective particle size from high spectral resolution infrared data under ice cloudy con&tion. The error analysis shows that the uncertainty of the retrieved optical thickness and effective particle size has a small range of variation. The error for retrieving particle size in conjunction with an uncertainty of 5 K in cloud'temperature, or a surface temperature uncertainty of 2.5 K, is less than 15%. The corresponding e m r in the uncertainty of optical thickness is within 5-2096, depending on the value of cloud optical thickness. The applicability of the technique is demonstrated using the aircraft-based High- resolution Interferometer Sounder (HIS) data from the Subsonic Aircraft: Contrail and Cloud Effects Special Study (SUCCESS) in 1996 and the First ISCCP Regional Experiment - Arctic Clouds Experiment (FIRE-ACE) in 1998.

Huang, Hung-Lung↗
NASA NTRS2002

Infrared Spectroscopy of Matrix-Isolated Polycyclic Aromatic Compounds and their Ions: Polycyclic Aromatic Nitrogen Heterocycles - 6

The matrix-isolation technique has been employed to measure the mid-infrared spectra of several polycyclic aromatic nitrogen heterocycles in both neutral and cationic forms. The species studied include: 7,8 benzoquinoline (C13H9N); 2-azapyrene (C15H9N); 1- and 2-azabenz(a)anthracene (C17H11N); and 1-, 2-, and 4-azachrysene (also C17H11N). The experimentally measured band frequencies and intensities for each molecule are tabulated and compared with their theoretically calculated values computed using density functional theory at the B3LYP/4-31G level. The overall agreement between experiment and theory is quite good, in keeping with previous investigations involving the parent aromatic hydrocarbons. Several interesting spectroscopic trends are found to accompany nitrogen substitution into the aromatic framework of these compounds. First, for the neutral species, the nitrogen atom produces a significant increase in the total integrated infrared intensity across the 1600 - 1100/cm region and plays an essential role in the molecular vibration that underlies an uncharacteristically intense, discrete feature that is observed near 1400/cm in the spectra of 7,8 benzoquinoline, 1-azabenz(a)anthracene, and 4-azachrysene. The origin of this enhanced infrared activity and the nature of the new 1400/cm vibrational mode are explored. Finally, in contrast to the parent hydrocarbon species, these aromatic nitrogen heterocycles possess a significant permanent dipole moment. Consequently, these dipole moments and the rotational constants are reported for these species in their neutral and ionized forms.

Mattioda, A. L.↗
NASA NTRS2004

Finding Bounded Rational Equilibria: Iterative Focusing - Part 1

A long-running difficulty with conventional game theory has been how to modify it to accommodate the bounded rationality characterizing all real-world players. A recurring issue in statistical physics is how best to approximate joint probability distributions with decoupled (and therefore far more tractable) distributions. It has recently been shown that the same information theoretic mathematical structure, known as Probability Collectives (PC) underlies both issues. This relationship between statistical physics and game theory allows techniques and insights from the one field to be applied to the other. In particular, PC provides a formal model-independent definition of the degree of rationality of a player and of bounded rationality equilibria. This pair of papers extends previous work on PC by introducing new computational approaches to effectively find bounded rationality equilibria of common-interest (team) games.

Wolpert, David H.↗
NASA NTRS2004

Finding Bounded Rational Equilibria: Alternative Lagrangians and Uncountable Move Spaces - Part 2

A long-running difficulty with conventional game theory has been how to modify it to accommodate the bounded rationality characterizing all real-world players. A recurring issue in statistical physics is how best to approximate joint probability distributions with decoupled (and therefore far more tractable) distributions. It has recently been shown that the same information theoretic mathematical structure, known as Probability Collectives (PC) underlies both issues. This relationship between statistical physics and game theory allows techniques and insights &om the one field to be applied to the other. In particular, PC provides a formal model-independent definition of the degree of rationality of a player and of bounded rationality equilibria. This pair of papers extends previous work on PC by introducing new computational approaches to effectively find bounded rationality equilibria of common-interest (team) games.

Wolpert, David H.↗
NASA NTRS2006

Symmetric Phase Only Filtering for Improved DPIV Data Processing

The standard approach in Digital Particle Image Velocimetry (DPIV) data processing is to use Fast Fourier Transforms to obtain the cross-correlation of two single exposure subregions, where the location of the cross-correlation peak is representative of the most probable particle displacement across the subregion. This standard DPIV processing technique is analogous to Matched Spatial Filtering, a technique commonly used in optical correlators to perform the crosscorrelation operation. Phase only filtering is a well known variation of Matched Spatial Filtering, which when used to process DPIV image data yields correlation peaks which are narrower and up to an order of magnitude larger than those obtained using traditional DPIV processing. In addition to possessing desirable correlation plane features, phase only filters also provide superior performance in the presence of DC noise in the correlation subregion. When DPIV image subregions contaminated with surface flare light or high background noise levels are processed using phase only filters, the correlation peak pertaining only to the particle displacement is readily detected above any signal stemming from the DC objects. Tedious image masking or background image subtraction are not required. Both theoretical and experimental analyses of the signal-to-noise ratio performance of the filter functions are presented. In addition, a new Symmetric Phase Only Filtering (SPOF) technique, which is a variation on the traditional phase only filtering technique, is described and demonstrated. The SPOF technique exceeds the performance of the traditionally accepted phase only filtering techniques and is easily implemented in standard DPIV FFT based correlation processing with no significant computational performance penalty. An "Automatic" SPOF algorithm is presented which determines when the SPOF is able to provide better signal to noise results than traditional PIV processing. The SPOF based optical correlation processing approach is presented as a new paradigm for more robust cross-correlation processing of low signal-to-noise ratio DPIV image data."

Wernet, Mark P.↗
NASA NTRS1998

Computation of the Effects of Inhomogeneous Clouds on Retrieval of Remotely Sensed Properties

Current and future earth observation programs depend on satellite measurements of radiance to retrieve the properties of clouds on a global basis. At present, this retrieval is made assuming that the clouds in the instrument field of view are plane parallel and independent of adjacent pixels. While this assumption is known to be false except in very limited cases, its impact can be evaluated, and if possible corrected, based on emerging theoretical techniques. In this study, the Spherical Harmonic Discrete Ordinate Method (SHDOM, Evans, 1996) has been used to assess the sensitivity of the retrieval to a variety of cloud parameters. SHDOM allows the plane parallel assumption to be relaxed and makes 2D and even 3D radiative solutions practical. A previous study (Chambers et al., 1996) assessed the effect of horizontal inhomogeneity in 45 LANDSAT scenes of boundary layer clouds over ocean. The four scenes studied here represent overcast, broken, scattered and strongly thermally forced cloud fields and are used to perform sensitivity studies to a wider variety of parameters. Comparisons are made at three solar zenith angles (theta (sub 0) = 0, 49, and 63 degrees) to avoid ambiguity in the results due to solar zenith angle.

Chambers, Lin H.↗