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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Managing Analysis Models in the Design Process

Design of large, complex space systems depends on significant model-based support for exploration of the design space. Integrated models predict system performance in mission-relevant terms given design descriptions and multiple physics-based numerical models. Both the design activities and the modeling activities warrant explicit process definitions and active process management to protect the project from excessive risk. Software and systems engineering processes have been formalized and similar formal process activities are under development for design engineering and integrated modeling. JPL is establishing a modeling process to define development and application of such system-level models.

design↗
NASA NTRS2010

U.S. Spacesuit Knowledge Capture

The ability to learn from both the mistakes and successes of the past is vital to assuring success in the future. Due to the close physical interaction between spacesuit systems and human beings as users, spacesuit technology and usage lends itself rather uniquely to the benefits realized from the skillful organization of historical information; its dissemination; the collection and identification of artifacts; and the education of individuals and groups working in the field. The National Aeronautics and Space Administration (NASA), other organizations and individuals have been performing United States (U.S.) spacesuit knowledge capture since the beginning of space exploration. Avenues used to capture the knowledge have included publication of reports; conference presentations; specialized seminars; and classes usually given by veterans in the field. Recently, the effort has been more concentrated and formalized whereby a new avenue of spacesuit knowledge capture has been added to the archives through which videotaping occurs, engaging both current and retired specialists in the field presenting technical scope specifically for education and preservation of knowledge. Now with video archiving, all these avenues of learning can be brought to life with the real experts presenting their wealth of knowledge on screen for future learners to enjoy. U.S. spacesuit knowledge capture topics have included lessons learned in spacesuit technology, experience from the Gemini, Apollo, Skylab and Shuttle programs, hardware certification, design, development and other program components, spacesuit evolution and experience, failure analysis and resolution, and aspects of program management. Concurrently, U.S. spacesuit knowledge capture activities have progressed to a level where NASA, the National Air and Space Museum (NASM), Hamilton Sundstrand (HS) and the spacesuit community are now working together to provide a rather closed-looped spacesuit knowledge capture system which includes specific attention to spacesuit system artifacts as well. A NASM report has recently been created that allows the cross reference of history to the artifacts and the artifacts to the history including spacesuit manufacturing details with current condition and location. NASA has examined spacesuits in the NASM collection for evidence of wear during their operational life. NASA s formal spacesuit knowledge capture efforts now make use of both the NASM spacesuit preservation collection and report to enhance its efforts to educate NASA personnel and contribute to spacesuit history. Be it archiving of human knowledge or archiving of the actual spacesuit legacy hardware with its rich history, the joining together of spacesuit system artifact history with that of development and use during past programs will provide a wealth of knowledge which will greatly enhance the chances for the success of future and more ambitious spacesuit system programs.

Chullen, Cinda↗
DOE OSTI2026

Hydride and Seek: Comparing Crystallographic Hydride Placement Techniques with an Open-Shell Cobalt Complex

Locating hydrides is crucial in organometallic chemistry but difficult to do accurately using X-ray diffraction. Electron diffraction has been proposed as a way to overcome this problem but has not been systematically compared to neutron diffraction and to quantum crystallography (Hirshfeld atom refinement, HAR) to test this hypothesis. Here, we present a comparative analysis of methods for a terminal cobalt hydride complex by comparing a single-crystal neutron diffraction reference structure to results from single-crystal X-ray diffraction with and without Hirshfeld atom refinement (HAR, NoSpherA2), density functional theory (DFT), and electron diffraction (3D-ED/MicroED) refined under kinematical and dynamical formalisms. Conventional X-ray diffraction gives lower precision than neutron diffraction as expected. Despite expected improvements, HAR gives systematic deviation from the neutron benchmark. Interestingly, optimized DFT equilibrium geometries are closer to the neutron value than the value from HAR. On the other hand, electron diffraction with a high-quality data set coupled with dynamical refinement localizes the hydride in difference maps and gives excellent agreement with the neutron data. Dynamical refinement is crucial, as kinematical refinement does not allow assignment of a hydride peak. This cross-modal comparison defines the conditions under which 3D-ED/MicroED delivers high-precision metal–hydride distances for this open-shell cobalt hydride.

anions↗
NASA NTRS1989

Probability of failure and risk assessment of propulsion structural components

Because of the increasing need to account for the uncertainties in material properties, loading conditions, geometry, etc., a methodology was developed to determine structural reliability and to assess the associated risk. The methodology consists of a probabilistic structural analysis by a probabilistic finite element computer code, numerical evaluation of stochastic structures under stress (NESSUS), and a generic probabilistic material property model. The methodology is versatile and is equally applicable to structures operating at high and cryogenic temperature environments. Results obtained demonstrate that the issues of structural reliability and risk can be formally evaluated by using the methodology developed which is inclusive of the uncertainties in material properties, structural parameters, and loading conditions. The methodology is described in some detail with illustrative examples.

Shiao, Michael C.↗
NASA NTRS2000

Data Retrieval Algorithms for Validating the Optical Transient Detector and the Lightning Imaging Sensor

A linear algebraic solution is provided for the problem of retrieving the location and time of occurrence of lightning ground strikes from an Advanced Lightning Direction Finder (ALDF) network. The ALDF network measures field strength, magnetic bearing, and arrival time of lightning radio emissions. Solutions for the plane (i.e., no earth curvature) are provided that implement all of these measurements. The accuracy of the retrieval method is tested using computer-simulated datasets, and the relative influence of bearing and arrival time data an the outcome of the final solution is formally demonstrated. The algorithm is sufficiently accurate to validate NASA:s Optical Transient Detector and Lightning Imaging Sensor. A quadratic planar solution that is useful when only three arrival time measurements are available is also introduced. The algebra of the quadratic root results are examined in detail to clarify what portions of the analysis region lead to fundamental ambiguities in sc)iirce location, Complex root results are shown to be associated with the presence of measurement errors when the lightning source lies near an outer sensor baseline of the ALDF network. For arbitrary noncollinear network geometries and in the absence of measurement errors, it is shown that the two quadratic roots are equivalent (no source location ambiguity) on the outer sensor baselines. The accuracy of the quadratic planar method is tested with computer-generated datasets, and the results are generally better than those obtained from the three-station linear planar method when bearing errors are about 2 deg.

Koshak, W. J.↗
NASA NTRS1998

Theoretical Calculation and Validation of the Water Vapor Continuum Absorption

The primary objective of this investigation is the development of an improved parameterization of the water vapor continuum absorption through the refinement and validation of our existing theoretical formalism. The chief advantage of our approach is the self-consistent, first principles, basis of the formalism which allows us to predict the frequency, temperature and pressure dependence of the continuum absorption as well as provide insights into the physical mechanisms responsible for the continuum absorption. Moreover, our approach is such that the calculated continuum absorption can be easily incorporated into satellite retrieval algorithms and climate models. Accurate determination of the water vapor continuum is essential for the next generation of retrieval algorithms which propose to use the combined constraints of multispectral measurements such as those under development for EOS data analysis (e.g., retrieval algorithms based on MODIS and AIRS measurements); current Pathfinder activities which seek to use the combined constraints of infrared and microwave (e.g., HIRS and MSU) measurements to improve temperature and water profile retrievals, and field campaigns which seek to reconcile spectrally-resolved and broad-band measurements such as those obtained as part of FIRE. Current widely used continuum treatments have been shown to produce spectrally dependent errors, with the magnitude of the error dependent on temperature and abundance which produces errors with a seasonal and latitude dependence. Translated into flux, current water vapor continuum parameterizations produce flux errors of order 10 W/sq m, which compared to the 4 W/sq m magnitude of the greenhouse gas forcing and the 1-2 W/sq m estimated aerosol forcing is certainly climatologically significant and unacceptably large. While it is possible to tune the empirical formalisms, the paucity of laboratory measurements, especially at temperatures of interest for atmospheric applications, preclude tuning, the empirical continuum models over the full spectral range of interest for remote sensing and climate applications. Thus, we propose to further develop and refine our existing, far-wing formalism to provide an improved treatment applicable from the near-infrared through the microwave. Based on the results of this investigation, we will provide to the remote sensing/climate modeling community a practical and accurate tabulation of the continuum absorption covering the near-infrared through the microwave region of the spectrum for the range of temperatures and pressures of interest for atmospheric applications.

Ma, Qiancheng↗
NASA NTRS2019

A NICER Look at Strong X-ray Obscuration in the Seyfert-2 Galaxy NGC 4388

We present an analysis of the time-averaged spectrum of the Seyfert-2 active galaxy NGC 4388, obtained by NICER. The intrinsic strength of the reflection spectrum in NGC 4388, the large collecting area and favorable passband of NICER, and a net exposure of 105.6 ks yielded an exceptionally sensitive spectrum. Using two independent families of models, the intrinsic spectrum from the central engine is found to be highly obscured but not Compton-thick. Enforcing physical self-consistency within each model, the independent treatments give formally consistent results: = - N 2.67+ 10 cm- H 0.030.02 23 2 or = ´ -N 2.64+ 10 cm- H 0.03 0.03 23 2. Past measurements made with Suzaku and XMM-Newton are in broad agreement with these column density values. A more recent measurement with NuSTAR (in late 2013) recorded a column density about twice as large; the robustness of this variability is reinforced by the use of consistent models and procedures. The neutral FeKα line in the NICER spectrum is nominally resolved and consistent with an origin in the optical broad-line region). The data also require ionized absorption in the Fe K band, similar to the “warm absorbers” detected in Seyfert-1 active galactic nuclei. The low-energy spectrum is consistent with a set of ionized plasma components. We discuss these findings and note that the geometric inferences that derive from this analysis can be tested with XRISM and Athena.

J M Miller↗
NASA NTRS2015

Are We There Yet? Determining the Adequacy of Formalized Requirements and Test Suites

Structural coverage metrics have traditionally categorized code as either covered or uncovered. Recent work presents a stronger notion of coverage, checked coverage, which counts only statements whose execution contributes to an outcome checked by an oracle. While this notion of coverage addresses the adequacy of the oracle, for Model-Based Development of safety critical systems, it is still not enough; we are also interested in how much of the oracle is covered, and whether the values of program variables are masked when the oracle is evaluated. Such information can help system engineers identify missing requirements as well as missing test cases. In this work, we add to the idea of checked coverage an analysis of requirements coverage to help provide insight to engineers as to whether the requirements or the test suite need to be improved. We implement our approach based on a dynamic backward slicing technique and evaluate it on several systems developed in Simulink. The results of our preliminary study show that even for systems with comprehensive test suites and good sets of requirements, our approach can identify cases where more tests or more requirements are needed to improve coverage numbers.

Dynamic Slicing↗
NASA NTRS1998

Theoretical Calculation and Validation of the Water Vapor Continuum Absorption

The primary objective of this investigation is the development of an improved parameterization of the water vapor continuum absorption through the refinement and validation of our existing theoretical formalism. The chief advantage of our approach is the self-consistent, first principles, basis of the formalism which allows us to predict the frequency, temperature and pressure dependence of the continuum absorption as well as provide insights into the physical mechanisms responsible for the continuum absorption. Moreover, our approach is such that the calculated continuum absorption can be easily incorporated into satellite retrieval algorithms and climate models. Accurate determination of the water vapor continuum is essential for the next generation of retrieval algorithms which propose to use the combined constraints of multi-spectral measurements such as those under development for EOS data analysis (e.g., retrieval algorithms based on MODIS and AIRS measurements); current Pathfinder activities which seek to use the combined constraints of infrared and microwave (e.g., HIRS and MSU) measurements to improve temperature and water profile retrievals, and field campaigns which seek to reconcile spectrally-resolved and broad-band measurements such as those obtained as part of FIRE. Current widely used continuum treatments have been shown to produce spectrally dependent errors, with the magnitude of the error dependent on temperature and abundance which produces errors with a seasonal and latitude dependence. Translated into flux, current water vapor continuum parameterizations produce flux errors of order 10 W/ml, which compared to the 4 W/m' magnitude of the greenhouse gas forcing and the 1-2 W/m' estimated aerosol forcing is certainly climatologically significant and unacceptably large. While it is possible to tune the empirical formalisms, the paucity of laboratory measurements, especially at temperatures of interest for atmospheric applications, preclude tuning the empirical continuum models over the full spectral range of interest for remote sensing and climate applications. Thus, we propose to further develop and refine our existing far-wing formalism to provide an improved treatment applicable from the near-infrared through the microwave. Based on the results of this investigation, we will provide to the remote sensing/climate modeling community a practical and accurate tabulation of the continuum absorption covering the near-infrared through the microwave region of the spectrum for the range of temperatures and pressures of interest for atmospheric applications.

Ma, Qiancheng↗
NASA NTRS2004

Adding Assurance to Automatically Generated Code

Code to estimate position and attitude of a spacecraft or aircraft belongs to the most safety-critical parts of flight software. The complex underlying mathematics and abundance of design details make it error-prone and reliable implementations costly. AutoFilter is a program synthesis tool for the automatic generation of state estimation code from compact specifications. It can automatically produce additional safety certificates which formally guarantee that each generated program individually satisfies a set of important safety policies. These safety policies (e.g.. array-bounds, variable initialization) form a core of properties which are essential for high-assurance software. Here we describe the AutoFilter system and its certificate generator and compare our approach to the static analysis tool PolySpace.

Denney, Ewen↗
NASA NTRS2008

Venus Quadrangle Geological Mapping: Use of Geoscience Data Visualization Systems in Mapping and Training

We are currently investigating new technological developments in computer visualization and analysis in order to assess their importance and utility in planetary geological analysis and mapping [1,2]. Last year we reported on the range of technologies available and on our application of these to various problems in planetary mapping [3]. In this contribution we focus on the application of these techniques and tools to Venus geological mapping at the 1:5M quadrangle scale. In our current Venus mapping projects we have utilized and tested the various platforms to understand their capabilities and assess their usefulness in defining units, establishing stratigraphic relationships, mapping structures, reaching consensus on interpretations and producing map products. We are specifically assessing how computer visualization display qualities (e.g., level of immersion, stereoscopic vs. monoscopic viewing, field of view, large vs. small display size, etc.) influence performance on scientific analysis and geological mapping. We have been exploring four different environments: 1) conventional desktops (DT), 2) semi-immersive Fishtank VR (FT) (i.e., a conventional desktop with head-tracked stereo and 6DOF input), 3) tiled wall displays (TW), and 4) fully immersive virtual reality (IVR) (e.g., "Cave Automatic Virtual Environment," or Cave system). Formal studies demonstrate that fully immersive Cave environments are superior to desktop systems for many tasks [e.g., 4].

Head, James W.↗
DOE OSTI2024

High-throughput determination of Hubbard $U$ and Hund $J$ values for transition metal oxides via the linear response formalism

DFT+U provides a convenient, cost-effective correction for the self-interaction error (SIE) that arises when describing correlated electronic states using conventional approximate density functional theory (DFT). The success of a DFT+U(+J) calculation hinges on the accurate determination of its Hubbard U and Hund J parameters, and the linear response (LR) methodology has proven to be computationally effective and accurate for calculating these parameters. This study provides a high-throughput computational analysis of the U and J values for transition metal d-electron states in a representative set of over 1000 magnetic transition metal oxides (TMOs), providing a frame of reference for researchers who use DFT+U to study transition metal oxides. In order to perform this high-throughput study, an ATOMATE workflow is developed for calculating U and J values automatically on massively parallel supercomputing architectures. Here, to demonstrate an application of this workflow, the spin-canting magnetic structure and unit cell parameters of the multiferroic olivine LiNiPO4 are calculated using the computed Hubbard U and Hund J values for Ni-d and O-p states, and are compared with experiment. Both the Ni-d U and J corrections have a strong effect on the Ni-moment canting angle. Additionally, including a O-pU value results in a significantly improved agreement between the computed lattice parameters and experiment

36 MATERIALS SCIENCE↗
DOE OSTI2024

Galaxy bispectrum in the spherical Fourier-Bessel basis

The bispectrum, the three-point correlation in Fourier space, is a crucial statistic for studying many effects targeted by the next-generation galaxy surveys, such as primordial non-Gaussianity (PNG) and general relativistic (GR) effects on large scales. In this work we develop a formalism for the bispectrum in the spherical Fourier-Bessel (SFB) basis—a natural basis for computing correlation functions on the curved sky, as it diagonalizes the Laplacian operator in spherical coordinates. Working in the SFB basis allows for line-of-sight effects such as redshift space distortions and GR to be accounted for exactly, i.e., without having to resort to perturbative expansions to go beyond the plane-parallel approximation. Only analytic results for the SFB bispectrum exist in the literature given the intensive computations needed. We numerically calculate the SFB bispectrum for the first time, enabled by a few techniques: We implement a template decomposition of the redshift-space kernel Z 2 into Legendre polynomials, and separately treat the PNG and velocity-divergence terms. We derive an identity to integrate a product of three spherical harmonics connected by a Dirac delta function as a simple sum and use it to investigate the limit of a homogeneous and isotropic Universe. Furthermore, we present a formalism for convolving the signal with separable window functions and use a toy spherically symmetric window to demonstrate the computation and give insights into the properties of the observed bispectrum signal. While our implementation remains computationally challenging, it is a step toward a feasible full extraction of information on large scales via a SFB bispectrum analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Accurate oscillator strengths for ultraviolet lines of Ar I - Implications for interstellar material

Analysis of absorption from interstellar Ar I in lightly reddened lines of sight provides information on the warm and hot components of the interstellar medium near the sun. The details of the analysis are limited by the quality of the atomic data. Accurate oscillator strengths for the Ar I lines at 1048 and 1067 A and the astrophysical implications are presented. From lifetimes measured with beam-foil spectroscopy, an f-value for 1048 A of 0.257 +/- 0.013 is obtained. Through the use of a semiempirical formalism for treating singlet-triplet mixing, an oscillator strength of 0.064 +/- 0.003 is derived for 1067 A. Because of the accuracy of the results, the conclusions of York and colleagues from spectra taken with the Copernicus satellite are strengthened. In particular, for interstellar gas in the solar neighborhood, argon has a solar abundance, and the warm, neutral material is not pervasive.

Federman, S. R.↗
NASA NTRS1997

ALDF Data Retrieval Algorithms for Validating the Optical Transient Detector (OTD) and the Lightning Imaging Sensor (LIS)

A linear algebraic solution is provided for the problem of retrieving the location and time of occurrence of lightning ground strikes from in Advanced Lightning Direction Finder (ALDF) network. The ALDF network measures field strength, magnetic bearing, and arrival time of lightning radio emissions and solutions for the plane (i.e.. no Earth curvature) are provided that implement all of these measurements. The accuracy of the retrieval method is tested using computer-simulated data sets and the relative influence of bearing and arrival time data on the outcome of the final solution is formally demonstrated. The algorithm is sufficiently accurate to validate NASA's Optical Transient Detector (OTD) and Lightning Imaging System (LIS). We also introduce a quadratic planar solution that is useful when only three arrival time measurements are available. The algebra of the quadratic root results are examined in detail to clarify what portions of the analysis region lead to fundamental ambiguities in source location. Complex root results are shown to be associated with the presence of measurement errors when the lightning source lies near an outer sensor baseline of the ALDF network. For arbitrary noncollinear network geometries and in the absence of measurement errors, it is shown that the two quadratic roots are equivalent (no source location ambiguity) on the outer sensor baselines. The accuracy of the quadratic planar method is tested with computer-generated data sets and the results are generally better than those obtained from the three station linear planar method when bearing errors are about 2 degrees.

Koshak, W. J.↗
NASA NTRS2006

Fusing Quantitative Requirements Analysis with Model-based Systems Engineering

A vision is presented for fusing quantitative requirements analysis with model-based systems engineering. This vision draws upon and combines emergent themes in the engineering milieu. "Requirements engineering" provides means to explicitly represent requirements (both functional and non-functional) as constraints and preferences on acceptable solutions, and emphasizes early-lifecycle review, analysis and verification of design and development plans. "Design by shopping" emphasizes revealing the space of options available from which to choose (without presuming that all selection criteria have previously been elicited), and provides means to make understandable the range of choices and their ramifications. "Model-based engineering" emphasizes the goal of utilizing a formal representation of all aspects of system design, from development through operations, and provides powerful tool suites that support the practical application of these principles. A first step prototype towards this vision is described, embodying the key capabilities. Illustrations, implications, further challenges and opportunities are outlined.

optimization↗
NASA NTRS2016

The Relaxation Matrix for Symmetric Tops with Inversion Symmetry: Line Mixing Effects in the V1 Band of NH3 - II

Line mixing effects have been calculated in the ν1 parallel band of self-broadened NH3. The theoretical approach is an extension of a semi-classical model to symmetric-top molecules with inversion symmetry developed in the companion paper [Q. Ma and C. Boulet, J. Chem. Phys. 144, 224303 (2016)]. This model takes into account line coupling effects and hence enables the calculation of the entire relaxation matrix. A detailed analysis of the various coupling mechanisms is carried out for Q and R inversion doublets. The model has been applied to the calculation of the shape of the Q branch and of some R manifolds for which an obvious signature of line mixing effects has been experimentally demonstrated. Comparisons with measurements show that the present formalism leads to an accurate prediction of the available experimental line shapes. Discrepancies between the experimental and theoretical sets of first order mixing parameters are discussed as well as some extensions of both theory and experiment.

Boulet, C.↗
NASA NTRS2021

Analysis of the long-term drift rates and oscillations of Jupiter’s largest vortices

Jupiter’s troposphere is dynamically characterized by a series of alternating eastward and westward jets. Embedded between these alternating jets, large vortices, characterized by their high speed closed circulations can be found in several latitudinal bands. The Great Red Spot (GRS) and the White Ovals (WOS) located at ≈22 and ≈30 degrees south respectively1 are the largest of these vortices. The GRS has undergone significant changes in size, coloration and maximum circumferential wind speed over the last two decades. The three WOS also experienced changes in size, and they merged over time until there was only one remaining, which since then has been formally known as oval BA. Here we used over four decades worth of data from the Database for Object Positions on Jupiter (JUPOS), to investigate the long-term mean longitudinal drift of these largest vortices, and to characterize the deviations from this mean drift. A linear fit to the GRS drift speed for the last two decades gives a rate of change of (3.1 ± 0.4)^(-3°)/day/year. For oval BA we find that its annual drift rate changed from -0.39°/day in 2016 to -0.58°/day in 2020 following a steep trend that is best fitted by a second order polynomial. Regarding oscillations, we find that for the last two decades the GRS has continued to oscillate longitudinally with the same period (90 days) and peak-to-peak amplitude (1.2 degrees longitude) as reported historically. For the WOS, the data prior to 2000 seems to indicate that they presented similar oscillations with periods of ≈158 days and peak-to-peak amplitudes of ≈1.6 degrees. The analysis of the data for oval BA since the year 2000 reveals evidence of an oscillation with a period of ≈138 days and peak-to-peak amplitude of ≈1.6 degrees longitude.

Raúl Morales-Juberías↗