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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

The effects of gravity darkening on the ultraviolet continuum polarization produced by circumstellar disks

We investigate the effects of gravity darkening on the UV continuum polarization produced by an axisymmetric disk that surrounds a rapidly rotating star. Although the model is a single scattering approximation, we do include the effects of attenuation (electron scattering plus hydrogen bound-free absorption) by the disk, using an approach similar to that of Sobolev (1963). Because of the gravity darkening of the star and the attenuation within the disk, the radiation field is not axially symmetric about the radius vector. This implies that the polarization source functions are no longer provided by the finite disk depolarization factors of Cassinelli, Nordsieck, & Murison (1987), which are functions of the intensity moments in a spherically symmetric atmosphere. We reformulate the polarization source functions using generalized intensity moment tensors (J, H(sub i), K(sub ij)) that are valid for an arbitrary radiation field and envelope geometry. We find that the polarization source functions are simplest when using intensity moments in the observer's reference frame. On the other hand, the intensity moments are most easily evaluated in the stellar reference frame. Using the rotation transformation properties of the generalized intensity moments, we relate the observer's moments to those evaluated in the stellar reference frame. Our procedure for determining the polarization source functions thus merely involves choosing a set of Euler angles for the coordinate rotations, and then evaluating the associated rotation matrix. The geometrical complications of polarization transfer are thus reduced to obtaining a coordinate rotation matrix.

Bjorkman, J. E.↗
DOE OSTI2014

Rotational spectra of propargyl alcohol dimer: A dimer bound with three different types of hydrogen bonds

Pure rotational spectra of the propargyl alcohol dimer and its three deuterium isotopologues have been observed in the 4 to 13 GHz range using a pulsed-nozzle Fourier transform microwave spectrometer. For the parent dimer, a total of 51 transitions could be observed and fitted within experimental uncertainty. For two mono-substituted and one bi-substituted deuterium isotopologues, a total of 14, 17, and 19 transitions were observed, respectively. The observed rotational constants for the parent dimer [A = 2321.8335(4) MHz, B = 1150.4774(2) MHz, and C = 1124.8898(2) MHz] are close to those of the most stable structure predicted by ab initio calculations. Spectra of the three deuterated isotopologues and Kraitchman analysis positively confirm this structure. Geometrical parameters and “Atoms in Molecules” analysis on the observed structure reveal that the two propargyl alcohol units in the dimer are bound by three different types of hydrogen bonds: O–H⋯O, O–H⋯π, and C–H⋯π. To the best of our knowledge, propargyl alcohol seems to be the smallest molecule forming a homodimer with three different points of contact.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Developing a MATLAB(registered)-Based Tool for Visualization and Transformation

An important step in the structural design and development of spacecraft is the experimental identification of a structure s modal characteristics, such as its natural frequencies and modes of vibration. These characteristics are vital to developing a representative model of any given structure or analyzing the range of input frequencies that can be handled by a particular structure. When setting up such a representative model of a structure, careful measurements using precision equipment (such as accelerometers and instrumented hammers) must be made on many individual points of the structure in question. The coordinate location of each data point is used to construct a wireframe geometric model of the structure. Response measurements obtained from the accelerometers is used to generate the modal shapes of the particular structure. Graphically, this is displayed as a combination of the ways a structure will ideally respond to a specified force input. Two types of models of the tested structure are often used in modal analysis: an analytic model showing expected behavior of the structure, and an experimental model showing measured results due to observed phenomena. To evaluate the results from the experimental model, a comparison of analytic and experimental results must be made between the two models. However, comparisons between these two models become difficult when the two coordinate orientations differ in a manner such that results are displayed in an unclear fashion. Such a problem proposes the need for a tool that not only communicates a graphical image of a structure s wireframe geometry based on various measurement locations (called nodes), but also allows for a type of transformation of the image s coordinate geometry so that a model s coordinate orientation is made to match the orientation of another model. Such a tool should also be designed so that it is able to construct coordinate geometry based on many different listings of node locations and is able to transform the wireframe coordinate orientation to match almost any possible orientation (i.e. it should not be a problem specific application) if it is to be of much value in modal analysis. Also, since universal files are used to store modal parameters and wireframe geometry, the tool must be able to read and extract information from universal files and use these files to exchange model data.The purpose of this project is to develop such a tool as a computer graphical user interface (GUI) capable of performing the following tasks: 1) Browsing for a particular universal file within the computer directory and displaying the name of this file to the screen; 2) Plotting each of the nodes within the universal file in a useful, descriptive, and easily understood figure; 3) Reading the node numbers from the selected file and listing these node numbers to the user for selection in an easily accessible format; 4) Allowing for user selection of a new model orientation defined by three selected nodes; and 5) Allowing the user to specify a directory to which the transformed model s node locations will be saved, and saving the transformed node locations to the specified file.

Anderton, Blake J.↗
DOE OSTI2015

Impedance simulation for LEReC booster cavity transformed from ERL gun cavity

Wake impedance induced energy spread is a concern for the low energy cooling electron beam. The impedance simulation of the booster cavity for the LEReC projection is presented in this report. The simulation is done for both non-relativistic and ultra-relativistic cases. The space charge impedance in the first case is discussed. For impedance budget consideration of the electron machine, only simulation of the geometrical impedance in the latter case is necessary since space charge is considered separately.

43 PARTICLE ACCELERATORS↗
DOE OSTI2017

Magnetohydrodynamic motion of a two-fluid plasma

Here, the two-fluid Maxwell system couples frictionless electron and ion fluids via Maxwell’s equations. When the frequencies of light waves, Langmuir waves, and single-particle cyclotron motion are scaled to be asymptotically large, the two-fluid Maxwell system becomes a fast-slow dynamical system. This fast-slow system admits a formally-exact single-fluid closure that may be computed systematically with any desired order of accuracy through the use of a functional partial differential equation. In the leading order approximation, the closure reproduces magnetohydrodynamics (MHD). Higher order truncations of the closure give an infinite hierarchy of extended MHD models that allow for arbitrary mass ratio, as well as perturbative deviations from charge neutrality. The closure is interpreted geometrically as an invariant slow manifold in the infinite-dimensional two-fluid phase space, on which two-fluid motions are free of high-frequency oscillations. This perspective shows that the full closure inherits a Hamiltonian structure from two-fluid theory. By employing infinite-dimensional Lie transforms, the Poisson bracket for the all-orders closure may be obtained in closed form. Thus, conservative truncations of the single-fluid closure may be obtained by simply truncating the single-fluid Hamiltonian. Moreover, the closed-form expression for the all-orders bracket gives explicit expressions for a number of the full closure’s conservation laws. Notably, the full closure, as well as any of its Hamiltonian truncations, admits a pair of independent circulation invariants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A facile approach towards synthesis, characterization, single crystal structure, and DFT study of 5-bromosalicylalcohol

5-Bromosalicylalcohol was prepared by the interaction of NaBH{sub 4} and 5-bromosalicylaldehyde. The use of sodium borohydride makes the reaction easy, facile, economic and does not require any toxic catalyst. The compound is characterized by FTIR, {sup 1}H NMR, {sup 13}C NMR, TEM and ESI-mass spectra. Crystal structure is determined by single crystal X-ray analysis. Quantum mechanical calculations of geometries, energies and thermodynamic parameters are carried out using density functional theory (DFT/B3LYP) method with 6-311G(d,p) basis set. The optimized geometrical parameters obtained by B3LYP method show good agreement with experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1975

Geometric theory of horizon scanners

The note presents a general geometrical theory of spacecraft horizon scanners for the purpose of actual attitude determination, as opposed to just attitude stabilization. Analysis is carried out in terms of the scanning angles and three sets of auxiliary axes: the scanner axes, the nonscanning axes, and the orbital axes. Euler angles (yaw, pitch, and roll) transform the orbital axes to the nonscanning axes, and spacecraft attitude is determined directly from the attitude of the nonscanning axes relative to the orbital axes. In most applications the scanning speed is fast, so that it can be assumed that the attitude of the spacecraft does not change during a scan; however, a perturbation analysis is provided for errors committed by neglecting attitude changes. The analysis is valid for all types of scanners; in addition, the case where two scanners with different half-cone angles are used is considered.

Fang, B. T.↗
NASA NTRS1986

On realizations of least-squares estimation and Kalman filtering by systolic arrays

Least-squares (LS) estimation is a basic operation in many signal processing problems. Given y = Ax + v, where A is a m x n coefficient matrix, y is a m x 1 observation vector, and v is a m x 1 zero mean white noise vector, a simple least-squares solution is finding the estimated vector x which minimizes the norm of /Ax-y/. It is well known that for an ill-conditioned matrix A, solving least-squares problems by orthogonal triangular (QR) decomposition and back substitution has robust numerical properties under finite word length effect since 2-norm is preserved. Many fast algorithms have been proposed and applied to systolic arrays. Gentleman-Kung (1981) first presented the trianglular systolic array for a basic Givens reduction. McWhirter (1983) used this array structure to find the least-squares estimation errors. Then by geometric approach, several different systolic array realizations of the recursive least-squares estimation algorithms of Lee et al (1981) were derived by Kalson-Yao (1985). Basic QR decomposition algorithms are considered in this paper and it is found that under a one-row time updating situation, the Householder transformation degenerates to a simple Givens reduction. Next, an improved least-squares estimation algorithm is derived by considering a modified version of fast Givens reduction. From this approach, the basic relationship between Givens reduction and Modified-Gram-Schmidt transformation can easily be understood. This improved algorithm also has simpler computational and inter-cell connection complexities while compared with other known least-squares algorithms and is more realistic for systolic array implementation.

Chen, M. J.↗
DOE OSTI2026

Fast and Accurate Intersections on a Sphere

We introduce a fast, high-precision algorithm for calculating intersections between great circle arcs and lines of constant latitude on the unit sphere. We first propose a simplified intersection point formula with improved speed and numerical robustness over the ones traditionally implemented in geoscience software. We then show how algorithms based on the concept of error-free transformations (EFT) can be applied to evaluate this formula within a relative error bound that is on the order of machine precision. Here, we demonstrate that, with a vectorized and parallelized implementation, this enhanced accuracy is achieved with no compute time overhead compared to a direct calculation in hardware floating point, making our algorithm suitable for performance-sensitive applications like regridding of high-resolution climate data. In contrast, evaluating our formula using high-precision data types like quadruple precision and arbitrary precision, or using the robust intersection computation routines from the Computational Geometry Algorithms Library, leads to significant computational overhead, especially since these alternatives inhibit vectorization. More generally, our work demonstrates how EFT techniques can be combined and extended to implement nontrivial geometric calculations with high accuracy and speed.

Environmental sciences↗
DOE OSTI2020

Building bulk geometry from the tensor Radon transform

Using the tensor Radon transform and related numerical methods, we study how bulk geometries can be explicitly reconstructed from boundary entanglement entropies in the specific case of AdS 3 /CFT 2 . We find that, given the boundary entanglement entropies of a 2d CFT, this framework provides a quantitative measure that detects whether the bulk dual is geometric in the perturbative (near AdS) limit. In the case where a well-defined bulk geometry exists, we explicitly reconstruct the unique bulk metric tensor once a gauge choice is made. We then examine the emergent bulk geometries for static and dynamical scenarios in holography and in many-body systems. Apart from the physics results, our work demonstrates that numerical methods are feasible and effective in the study of bulk reconstruction in AdS/CFT.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

AI-assisted detector design for the EIC (AID(2)E)

Artificial Intelligence is poised to transform the design of complex, large-scale detectors like ePIC at the future Electron Ion Collider. Featuring a central detector with additional detecting systems in the far forward and far backward regions, the ePIC experiment incorporates numerous design parameters and objectives, including performance, physics reach, and cost, constrained by mechanical and geometric limits. This project aims to develop a scalable, distributed AI-assisted detector design for the EIC (AID(2)E), employing state-of-the-art multiobjective optimization to tackle complex designs. Supported by the ePIC software stack and using G EANT 4 simulations, our approach benefits from transparent parameterization and advanced AI features. The workflow leverages the PanDA and iDDS systems, used in major experiments such as ATLAS at CERN LHC, the Rubin Observatory, and sPHENIX at RHIC, to manage the compute intensive demands of ePIC detector simulations. Tailored enhancements to the PanDA system focus on usability, scalability, automation, and monitoring. Ultimately, this project aims to establish a robust design capability, apply a distributed AI-assisted workflow to the ePIC detector, and extend its applications to the design of the second detector (Detector-2) in the EIC, as well as to calibration and alignment tasks. Additionally, we are developing advanced data science tools to efficiently navigate the complex, multidimensional trade-offs identified through this optimization process.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

LANDSAT-4 MSS and Thematic Mapper data quality and information content analysis

LANDSAT-4 thematic mapper (TM) and multispectral scanner (MSS) data were analyzed to obtain information on data quality and information content. Geometric evaluations were performed to test band-to-band registration accuracy. Thematic mapper overall system resolution was evaluated using scene objects which demonstrated sharp high contrast edge responses. Radiometric evaluation included detector relative calibration, effects of resampling, and coherent noise effects. Information content evaluation was carried out using clustering, principal components, transformed divergence separability measure, and supervised classifiers on test data. A detailed spectral class analysis (multispectral classification) was carried out to compare the information content of the MSS and TM for a large number of scene classes. A temperature-mapping experiment was carried out for a cooling pond to test the quality of thermal-band calibration. Overall TM data quality is very good. The MSS data are noisier than previous LANDSAT results.

Anuta, P.↗
NASA NTRS1984

Landsat-4 MSS and Thematic Mapper data quality and information content analysis

Landsat-4 Thematic Mapper and Multispectral Scanner data were analyzed to obtain information on data quality and information content. Geometric evaluations were performed to test band-to-band registration accuracy. Thematic Mapper overall system resolution was evaluated using scene objects which demonstrated sharp high contrast edge responses. Radiometric evaluation included detector relative calibration, effects of resampling, and coherent noise effects. Information content evaluation was carried out using clustering, principal components, transformed divergence separability measure, and numerous supervised classifiers on data from Iowa and Illinois. A detailed spectral class analysis (multispectral classification) was carried out on data from the Des Moines, IA area to compare the information content of the MSS and TM for a large number of scene classes.

Anuta, P. E.↗
NASA NTRS1985

Geometric accuracy of Landsat-4 and Landsat-5 Thematic Mapper images

The geometric accuracy (GA) and errors in imagery by Landsat-4 and -5 were examined using data from regions with a minimal topography. A least-squares comparison was made between ground truth digitized photographs and TM data for prominent features displayed on a 1:24,000 map. The algorithms used for the transformation of the Landsat data to a Cartesian system are provided. Landsat-5 images had a calculated error of 11.2 m (0.4 pixel) and could not be improved with skew and affine-distortion corrections. However, the digitized images, including road tracks, were considered detailed enough for standard 1:50,000 maps. Landsat-5 imagery, when fully corrected, was consistently superior to Landsat-4 data.

Batson, R. M.↗
NASA NTRS1994

Control theory based airfoil design for potential flow and a finite volume discretization

This paper describes the implementation of optimization techniques based on control theory for airfoil design. In previous studies it was shown that control theory could be used to devise an effective optimization procedure for two-dimensional profiles in which the shape is determined by a conformal transformation from a unit circle, and the control is the mapping function. The goal of our present work is to develop a method which does not depend on conformal mapping, so that it can be extended to treat three-dimensional problems. Therefore, we have developed a method which can address arbitrary geometric shapes through the use of a finite volume method to discretize the potential flow equation. Here the control law serves to provide computationally inexpensive gradient information to a standard numerical optimization method. Results are presented, where both target speed distributions and minimum drag are used as objective functions.

Reuther, J.↗
DOE OSTI2017

Rapid sampling of stochastic displacements in Brownian dynamics simulations

Here, we present a new method for sampling stochastic displacements in Brownian Dynamics (BD) simulations of colloidal scale particles. The method relies on a new formulation for Ewald summation of the Rotne-Prager-Yamakawa (RPY) tensor, which guarantees that the real-space and wave-space contributions to the tensor are independently symmetric and positive-definite for all possible particle configurations. Brownian displacements are drawn from a superposition of two independent samples: a wave-space (far-field or long-ranged) contribution, computed using techniques from fluctuating hydrodynamics and non-uniform fast Fourier transforms; and a real-space (near-field or short-ranged) correction, computed using a Krylov subspace method. The combined computational complexity of drawing these two independent samples scales linearly with the number of particles. The proposed method circumvents the super-linear scaling exhibited by all known iterative sampling methods applied directly to the RPY tensor that results from the power law growth of the condition number of tensor with the number of particles. For geometrically dense microstructures (fractal dimension equal three), the performance is independent of volume fraction, while for tenuous microstructures (fractal dimension less than three), such as gels and polymer solutions, the performance improves with decreasing volume fraction. This is in stark contrast with other related linear-scaling methods such as the force coupling method and the fluctuating immersed boundary method, for which performance degrades with decreasing volume fraction. Calculations for hard sphere dispersions and colloidal gels are illustrated and used to explore the role of microstructure on performance of the algorithm. In practice, the logarithmic part of the predicted scaling is not observed and the algorithm scales linearly for up to 4×10 6 particles, obtaining speed ups of over an order of magnitude over existing iterative methods, and making the cost of computing Brownian displacements comparable to the cost of computing deterministic displacements in BD simulations. Finally, a high-performance implementation employing non-uniform fast Fourier transforms implemented on graphics processing units and integrated with the software package HOOMD-blue is used for benchmarking.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

FT-IR, Raman, and NMR Spectroscopy and DFT Theory of Glimepiride Molecule as a Sulfonylurea Compound

The glimepiride molecule was experimentally characterized using vibrational (FT-IR and laser-Raman) and NMR chemical shift spectroscopy. The molecule optimized structure, vibrational wavenumbers, and {sup 1}H and {sup 13}C NMR isotropic chemical shifts were theoretically obtained with the DFT/B3LYP method at a 6-311++G(d,p) basis set. The theoretical geometric parameters, vibrational wavenumbers, and NMR chemical shifts were found to be consistent with experimental data and similar spectral results in the literature.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Dimensional Effects on the Charge Density Waves in Ultrathin Films of TiSe 2

Charge density wave (CDW) formation in solids is a critical phenomenon involving the collective reorganization of the electrons and atoms in the system into a wave structure, and it is expected to be sensitive to the geometric constraint of the system at the nanoscale. Here, we study the CDW transition in TiSe 2 , a quasi-two-dimensional layered material, to determine the effects of quantum confinement and changing dimensions in films ranging from a single layer to multilayers. Of key interest is the characteristic length scale for the transformation from a two-dimensional case to the three-dimensional limit. Angle-resolved photoemission (ARPES) measurements of films with thicknesses up to six layers reveal substantial variations in the energy structure of discrete quantum well states; however, the temperature-dependent band-gap renormalization converges at just three layers. The results indicate a layer-dependent mixture of two transition temperatures and a very-short-range CDW interaction within a three-dimensional framework.

36 MATERIALS SCIENCE↗