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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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NASA NTRS1989

Detection of elliptical polarization and mode splitting in discrete Schumann resonance excitations

Elliptical polarization and mode splitting have been detected in the magnetic component of discrete, well defined Schumann resonance excitations. These ELF excitations, which are large electromagnetic transients of approximately 1 s duration, are called Q-bursts and typically occur every few minutes. They are believed to be the signature of the impulsive excitation of the earth-ionosphere cavity by ultra-large lightning currents. In this paper the magnetic polarization and spectral characteristics of four large Q-bursts are examined in detail using a new analysis technique. Two events display right-hand polarization and two display left-hand polarization. The theoretical polarization properties of the central and side multiplets of the Schumann resonances are used to define a local orthogonal coordinate system in the measurement frame in which these components may be separated. Maximum entropy spectrums computed separately for what are identified to be the central and side multiplets in this coordinate system show distinctly different eigenfrequencies for the lowest mode near 7.5 Hz. For the limited number of cases examined the magnitude of the line splitting detected using this technique is roughly 1.4-1.8 Hz, larger by nearly a factor of two than theoretical or observed values of the splitting previously reported. The frequencies of the side multiplets may lie either above or below the frequency of the central multiplet.

Sentman, D. D.↗

NASA NTRS1972

An integrated radiation physics computer code system.

An integrated computer code system for the semi-automatic and rapid analysis of experimental and analytic problems in gamma photon and fast neutron radiation physics is presented. Such problems as the design of optimum radiation shields and radioisotope power source configurations may be studied. The system codes allow for the unfolding of complex neutron and gamma photon experimental spectra. Monte Carlo and analytic techniques are used for the theoretical prediction of radiation transport. The system includes a multichannel pulse-height analyzer scintillation and semiconductor spectrometer coupled to an on-line digital computer with appropriate peripheral equipment. The system is geometry generalized as well as self-contained with respect to material nuclear cross sections and the determination of the spectrometer response functions. Input data may be either analytic or experimental.

Steyn, J. J.↗

NASA NTRS2011

Superpixel-Augmented Endmember Detection for Hyperspectral Images

Superpixels are homogeneous image regions comprised of several contiguous pixels. They are produced by shattering the image into contiguous, homogeneous regions that each cover between 20 and 100 image pixels. The segmentation aims for a many-to-one mapping from superpixels to image features; each image feature could contain several superpixels, but each superpixel occupies no more than one image feature. This conservative segmentation is relatively easy to automate in a robust fashion. Superpixel processing is related to the more general idea of improving hyperspectral analysis through spatial constraints, which can recognize subtle features at or below the level of noise by exploiting the fact that their spectral signatures are found in neighboring pixels. Recent work has explored spatial constraints for endmember extraction, showing significant advantages over techniques that ignore pixels relative positions. Methods such as AMEE (automated morphological endmember extraction) express spatial influence using fixed isometric relationships a local square window or Euclidean distance in pixel coordinates. In other words, two pixels covariances are based on their spatial proximity, but are independent of their absolute location in the scene. These isometric spatial constraints are most appropriate when spectral variation is smooth and constant over the image. Superpixels are simple to implement, efficient to compute, and are empirically effective. They can be used as a preprocessing step with any desired endmember extraction technique. Superpixels also have a solid theoretical basis in the hyperspectral linear mixing model, making them a principled approach for improving endmember extraction. Unlike existing approaches, superpixels can accommodate non-isometric covariance between image pixels (characteristic of discrete image features separated by step discontinuities). These kinds of image features are common in natural scenes. Analysts can substitute superpixels for image pixels during endmember analysis that leverages the spatial contiguity of scene features to enhance subtle spectral features. Superpixels define populations of image pixels that are independent samples from each image feature, permitting robust estimation of spectral properties, and reducing measurement noise in proportion to the area of the superpixel. This permits improved endmember extraction, and enables automated search for novel and constituent minerals in very noisy, hyperspatial images. This innovation begins with a graph-based segmentation based on the work of Felzenszwalb et al., but then expands their approach to the hyperspectral image domain with a Euclidean distance metric. Then, the mean spectrum of each segment is computed, and the resulting data cloud is used as input into sequential maximum angle convex cone (SMACC) endmember extraction.

Thompson, David R.↗

NASA NTRS1991

Lightning induced currents in aircraft wiring using low level injection techniques

Various techniques were studied to predict the transient current induced into aircraft wiring bundles as a result of an aircraft lightning strike. A series of aircraft measurements were carried out together with a theoretical analysis using computer modeling. These tests were applied to various aircraft and also to specially constructed cylinders installed within coaxial return conductor systems. Low level swept frequency CW (carrier waves), low level transient and high level transient injection tests were applied to the aircraft and cylinders. Measurements were made to determine the transfer function between the aircraft drive current and the resulting skin currents and currents induced on the internal wiring. The full threat lightning induced transient currents were extrapolated from the low level data using Fourier transform techniques. The aircraft and cylinders used were constructed from both metallic and CFC (carbon fiber composite) materials. The results show the pulse stretching phenomenon which occurs for CFC materials due to the diffusion of the lightning current through carbon fiber materials. Transmission Line Matrix modeling techniques were used to compare theoretical and measured currents.

Stevens, E. G.↗

NASA NTRS1991

Macromolecular recognition: Structural aspects of the origin of the genetic system

Theoretical simulation of prebiotic chemical processes is an invaluable tool for probing the phenomenon of evolution of life. Using computational and modeling techniques and guided by analogies from present day systems we, seek to understand the emergence of genetic apparatus, enzymatic catalysis and protein synthesis under prebiotic conditions. In one possible scenario, the RNA enzymatic reaction plays a key role in the emergence of the self-replicating and offers a clue to the onset of enzymatic catalysis prior to the existence of the protein biosynthetic machinery. Our ultimate goal is to propose a simple RNA segment which contains the specificity and catalytic activity of the contemporary RNA enzyme and which could emerge in a primordial chemical environment. To understand the mechanism of ribozyme catalyzed reactions, ab initio and semi-empirical (ZINDO) programs were used to investigate the reaction path of transphosphorylation. A special emphasis was placed on the possible catalytic and structural roles played by the coordinated magnesium cation. Both the inline and adjacent mechanisms of transphosphorylation have been studied. Another important aspect of this reaction is the identity of the functional groups which are essential for the acid base catalysis. The structural characteristics of the target helices, particularly a possible role of G center dot T pair, is under examination by molecular dynamics (MD) simulation technique. Modeling of the ancestral aminoacyl-tRNA synthetases (aRS) may provide important clues to the emergence of the genetic code and the protein synthetic machinery. Assuming that the catalytic function evolved before the elements of specific recognition of a particular amino acid, we are exploring the minimal structural requirements for the catalysis of tRNA aminoacylation. The molecular modeling system SYBYL was used for this study based on the high resolution crystallographic structures of the present day tyrosyl-adenylate:tyrRS and tRNA(Gln): ATP:glnRS complexes. The trinucleotide CCA of the 3'-end tRNA is placed into the active site pocket of tyrRS, based on the scheme of interaction between tRNA(Gln) and glnRS, and upon the stereochemistry of the tyrRS:tRNA:Tyr-AMP transition state. This provides a model of the non-specific recognition of a tRNA's 3'-end by an aRS, which might be similar to that of the ancestral aRS's. In the next step, modeling of the rest of the acceptor stem of tRNA (Tyr) with tyrRS is carried out.

Rein, Robert↗

NASA NTRS1997

Rotordynamic Instability Problems in High-Performance Turbomachinery 1996

The first rotordynamics workshop proceedings emphasized a feeling of uncertainty in predicting the stability of characteristics of high-performance turbomachinery. In the second workshop proceedings these uncertainties were reduced through programs established to systematically resolve problems, with emphasis on experimental validation of the forces that influence rotordynamics. In the third proceedings many programs for predicting or measuring forces and force coefficients in high-performance turbomachinery produced results. Data became available for designing new machines with enhanced stability characteristics or for upgrading existing machines. In the fourth proceedings there emerged trends towards a more unified view of rotordynamic instability problems and several encouraging new analytical developments. The fifth workshop supported the continuing trend toward a unified view with several new developments in the design and manufacture of new turbomachineries with enhanced stability characteristics along with new data and associated numerical/theoretical results. The sixth workshop report provided field experience and experimental results, and expanded the use of computational and control techniques with integration of damper, bearing, and eccentric seal operation results. The seventh workshop report provided field experiences, numerical, theoretical, and experimental results and control methods for seals, bearings, and dampers with some attention given to variable thermophysical properties and turbulence measurements, and introduction of two-phase flow results. In the present workshop, active magnetic bearings (AMB's) evolve into a new method of measuring rotordynamic coefficients with discussions on honeycomb seals, drop of magnetically supported rotors, seals, bearings and dampers with new data being reported. The intent of the workshop and this proceedings is to provide a continuing impetus for an understanding and resolution of these problems.

Source record↗

NASA NTRS1982

Advances in information extraction techniques

Sundry recent developments are presented which show some potential for affecting the automatic extraction of information from remotely sensed data. Pattern representations more abstract than Euclidean vector spaces offer some hope of unifying structural and decision theoretical approaches. The estimation of expected classification error rates is becoming more sophisticated and rigorous, but useful finite-sample results for nonparametric distributions appear unobtainable. Focus on computational complexity allows comparison of algorithms, while software engineering techniques reduce the effort necessary to develop and maintain complex image processing systems. Advances in computer systems architecture, commercial database technology, and man-machine communications should be closely monitored by the remote sensing community. A NASA-sponsored recommendation for research directions in mathematical pattern recognition are offered.

Nagy, G.↗

DOE OSTI2025

Plumbene: a comprehensive review of theoretical and experimental advances

Plumbene, a two-dimensional (2D) material consisting of a single layer of lead (Pb) atoms in a honeycomb lattice, stands as a pioneering addition to the elemental 2D material family. Here, this comprehensive review encapsulates the theoretical predictions and experimental advancements that underscore its potential. With properties shaped by significant spin-orbit coupling and structural buckling, plumbene offers a playground for phenomena like the quantum spin Hall effect, superconductivity, and topological phase transitions. Despite promising theoretical insights, experimental realization has encountered challenges, primarily due to high reactivity of Pb and the need for precise fabrication conditions. This paper critically examines the electronic, thermal, mechanical, and topological attributes of plumbene, alongside synthesis methods, functionalization techniques, and substrate effects. It further proposes directions for addressing synthesis challenges and integrating plumbene into advanced technologies, particularly in electronic, spintronic, and quantum computing applications. This review aims to bridge the gap between theoretical potential and experimental progress, fostering a deeper understanding of this intriguing material.

2D materials↗

DOE OSTI2023

As a Matter of Dynamical Range – Scale Dependent Energy Dynamics in MHD Turbulence

Abstract Magnetized turbulence is ubiquitous in many astrophysical and terrestrial plasmas but no universal theory exists. Even the detailed energy dynamics in magnetohydrodynamic (MHD) turbulence are still not well understood. We present a suite of subsonic, super-Alfvénic, high plasma beta MHD turbulence simulations that only vary in their dynamical range, i.e., in their separation between the large-scale forcing and dissipation scales, and their dissipation mechanism (implicit large eddy simulation, ILES, and direct numerical simulation (DNS)). Using an energy transfer analysis framework we calculate the effective numerical viscosities and resistivities, and demonstrate that all ILES calculations of MHD turbulence are resolved and correspond to an equivalent visco-resistive MHD turbulence calculation. Increasing the number of grid points used in an ILES corresponds to lowering the dissipation coefficients, i.e., larger (kinetic and magnetic) Reynolds numbers for a constant forcing scale. Independently, we use this same framework to demonstrate that—contrary to hydrodynamic turbulence—the cross-scale energy fluxes are not constant in MHD turbulence. This applies both to different mediators (such as cascade processes or magnetic tension) for a given dynamical range as well as to a dependence on the dynamical range itself, which determines the physical properties of the flow. We do not observe any indication of convergence even at the highest resolution (largest Reynolds numbers) simulation at 2048 3 cells, calling into question whether an asymptotic regime in MHD turbulence exists, and, if so, what it looks like.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1991

Macromolecular recognition: Structural aspects of the origin of the genetic system

Theoretical simulation of prebiotic chemical processes is an invaluable tool for probing the phenomenon of the evolution of life. Using computational and modeling techniques and guided by analogies from present day systems, we seek to understand the emergence of the genetic apparatus, enzymatic catalysis and protein synthesis under prebiotic conditions. Modeling of the ancestral aminoacyl-tRNA-synthetases (aRS) may provide important clues to the emergence of the genetic code and the protein synthetic machinery. The minimal structural requirements for the catalysis of tRNA aminoacylation are being explored. A formation of an aminoacyl adenylate was studied in the framework of ab initio molecular orbital theory. The role of individual residues in the vicinity of the TyrRS active site was examined, and the effect of all possible amino acids substitutions near the active site was examined. A formation of aminoacyl tRNA was studied by the molecular modeling system SYBYL with the high resolution crystallographic structures of the present day tRNA, aRS's complexes. The ultimate goal is to propose a simple RNA segment that is small enough to be build in the primordial chemical environment but maintains the specificity and catalytic activity of the contemporary RNA enzyme. To understand the mechanism of ribozyme catalyzed reactions, ab initio and semi-empirical (ZINDO) programs were used to investigate the reaction path of transphosphorylation. A special emphasis was placed on the possible catalytic and structural roles played by the coordinated magnesium cation. Both the inline and adjacent mechanisms of transphosphorylation were studied. The structural characteristics of the target helices, particularly a possible role for the G-T pair, is also studied by a molecular dynamics (MD) simulation technique.

Rein, Robert↗

NASA NTRS1994

Rotordynamic Instability Problems in High-Performance Turbomachinery, 1993

The first rotordynamics workshop proceedings (NASA CP-2133, 1980) emphasized a feeling of uncertainty in predicting the stability of characteristics of high-performance turbomachinery. In the second workshop proceedings (NASA CP-2250, 1982) these uncertainties were reduced through programs established to systematically resolve problems, with emphasis on experimental validation of the forces that influence rotordynamics. In the third proceedings (NASA CP-2338, 1984) many programs for predicting or measuring forces and force coefficients in high-performance turbomachinery produced results. Data became available for designing new machines with enhanced stability characteristics or for upgrading existing machines. In the fourth proceedings (NASA CP-2443, 1986) there emerged trends toward a more unified view of rotordynamic instability problems and several encouraging new analytical developments. The fifth workshop (NASA CP-3026, 1988) supported the continuing trend toward a unified view with several new developments in the design and manufacture of new turbomachineries with enhanced stability characteristics along with new data and associated numerical/theoretical results. The sixth workshop report (NASA CP-3 I 22, 1990) field experience and experimental results, and expanded the use of computational and control techniques with integration of damper, bearing, and eccentric seal operation results. The present workshop continues to report field experiences, numerical, theoretical, and experimental results and control methods for seals, bearings, and dampers with some attention given to variable thermo physical properties and turbulence measurements, and introduction of two-phase flow results. The intent of the workshop and this proceedings is to provide a continuing impetus for an understanding and resolution of these problems.

Instabilities↗

NASA NTRS2004

Computational studies of Ras and PI3K

Until recently, experimental techniques in molecular cell biology have been the primary means to investigate biological risk upon space radiation. However, computational modeling provides an alternative theoretical approach, which utilizes various computational tools to simulate proteins, nucleotides, and their interactions. In this study, we are focused on using molecular mechanics (MM) and molecular dynamics (MD) to study the mechanism of protein-protein binding and to estimate the binding free energy between proteins. Ras is a key element in a variety of cell processes, and its activation of phosphoinositide 3-kinase (PI3K) is important for survival of transformed cells. Different computational approaches for this particular study are presented to calculate the solvation energies and binding free energies of H-Ras and PI3K. The goal of this study is to establish computational methods to investigate the roles of different proteins played in the cellular responses to space radiation, including modification of protein function through gene mutation, and to support the studies in molecular cell biology and theoretical kinetics models for our risk assessment project.

Ren, Lei↗

NASA NTRS1984

Comparison of frequency-domain and time-domain rotorcraft vibration control methods

Active control of rotor-induced vibration in rotorcraft has received significant attention recently. Two classes of techniques have been proposed. The more developed approach works with harmonic analysis of measured time histories and is called the frequency-domain approach. The more recent approach computes the control input directly using the measured time history data and is called the time-domain approach. The report summarizes the results of a theoretical investigation to compare the two approaches. Five specific areas were addressed: (1) techniques to derive models needed for control design (system identification methods), (2) robustness with respect to errors, (3) transient response, (4) susceptibility to noise, and (5) implementation difficulties. The system identification methods are more difficult for the time-domain models. The time-domain approach is more robust (e.g., has higher gain and phase margins) than the frequency-domain approach. It might thus be possible to avoid doing real-time system identification in the time-domain approach by storing models at a number of flight conditions. The most significant error source is the variation in open-loop vibrations caused by pilot inputs, maneuvers or gusts. The implementation requirements are similar except that the time-domain approach can be much simpler to implement if real-time system identification were not necessary.

Gupta, N. K.↗

NASA NTRS1982

Conference on Complex Turbulent Flows: Comparison of Computation and Experiment, Stanford University, Stanford, CA, September 14-18, 1981, Proceedings. Volume 2 - Taxonomies, reporters' summaries, evaluation, and conclusions

Computational techniques for simulating turbulent flows were explored, together with the results of experimental investigations. Particular attention was devoted to the possibility of defining a universal closure model, applicable for all turbulence situations; however, conclusions were drawn that zonal models, describing localized structures, were the most promising techniques to date. The taxonomy of turbulent flows was summarized, as were algebraic, differential, integral, and partial differential methods for numerical depiction of turbulent flows. Numerous comparisons of theoretically predicted and experimentally obtained data for wall pressure distributions, velocity profiles, turbulent kinetic energy profiles, Reynolds shear stress profiles, and flows around transonic airfoils were presented. Simplifying techniques for reducing the necessary computational time for modeling complex flowfields were surveyed, together with the industrial requirements and applications of computational fluid dynamics techniques.

Kline, S. J.↗

DOE OSTI2022

Information-Theoretic Exploration of Multivariate Time-Varying Image Databases

Modern scientific simulations produce very large datasets, making interactive exploration of such data computationally prohibitive. An increasingly common data reduction technique is to store visualizations and other data extracts in a database. The Cinema project is one such approach, storing visualizations in an image database for post hoc exploration and interactive image-based analysis. This work focuses on developing efficient algorithms that can quantify various types of multivariate dependencies existing within multi-variable datasets. It applies specific mutual information measures for the quantification of salient regions from multivariate image data. Here, using such information measures, the opacity of the images is modulated so that the salient regions are automatically highlighted and the domain scientists can interactively explore the most relevant regions for scientific discovery.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Rechargeable Alkali-Ion Battery Materials: Theory and Computation

Since its development in the 1970s, the rechargeable alkali-ion battery has proven to be a truly transformative technology, providing portable energy storage for devices ranging from small portable electronics to sizable electric vehicles. Here, we present a review of modern theoretical and computational approaches to the study and design of rechargeable alkali-ion battery materials. Additionally, starting from fundamental thermodynamics and kinetics phenomenological equations, we rigorously derive the theoretical relationships for key battery properties, such as voltage, capacity, alkali diffusivity, and other electrochemically relevant computable quantities. We then present an overview of computational techniques for the study of rechargeable alkali-ion battery materials, followed by a critical review of the literature applying these techniques to yield crucial insights into battery operation and performance. Finally, we provide perspectives on outstanding challenges and opportunities in the theory and computation of rechargeable alkali-ion battery materials.

25 ENERGY STORAGE↗

NASA NTRS1985

A tomographic technique for aerodynamics at transonic speeds

Computer aided tomography (CAT) provides a means of noninvasively measuring the air density distribution around an aerodynamic model. This technique is global in that a large portion of the flow field can be measured. A test of the applicability of CAT to transonic velocities was studied. A hemispherical-nose cylinder afterbody model was tested at a Mach number of 0.8 with a new laser holographic interferometer at the 2- by 2-Foot Transonic Wind Tunnel. Holograms of the flow field were taken and were reconstructed into interferograms. The fringe distribution (a measure of the local densities) was digitized for subsequent data reduction. A computer program based on the Fourier-transform technique was developed to convert the fringe distribution into three-dimensional densities around the model. Theoretical aerodynamic densities were calculated for evaluating and assessing the accuracy of the data obtained from the tomographic method.

Lee, G.↗

NASA NTRS1985

A tomographic technique for aerodynamics at transonic speeds

Lee, G.↗