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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

A simplified Mach number scaling law for helicopter rotor noise

Mach number scaling laws are derived for the rotational and the high-frequency broadband noise from helicopter rotors. The rotational scaling law is obtained directly from the theory of Lowson and Ollerhead (1969) by exploiting the properties of the dominant terms in the expression for the complex Fourier coefficients of sound radiation from a point source. The scaling law for the high-frequency broadband noise is obtained by assuming that the noise sources are acoustically compact and computing the instantaneous pressure due to an element on an airfoil where vortices are shed. Experimental results on the correlation lengths for stationary airfoils are extended to rotating airfoils. On the assumption that the correlation length varies as the boundary layer displacement thickness, it is found that the Mach number scaling law contains a factor of Mach number raised to the exponent 5.8. Both scaling laws were verified by model tests.

Aravamudan, K. S.↗
NASA NTRS1980

An Economical Semi-Analytical Orbit Theory for Retarded Satellite Motion About an Oblate Planet

Brouwer and Brouwer-Lyddanes' use of the Von Zeipel-Delaunay method is employed to develop an efficient analytical orbit theory suitable for microcomputers. A succinctly simple pseudo-phenomenologically conceptualized algorithm is introduced which accurately and economically synthesizes modeling of drag effects. The method epitomizes and manifests effortless efficient computer mechanization. Simulated trajectory data is employed to illustrate the theory's ability to accurately accommodate oblateness and drag effects for microcomputer ground based or onboard predicted orbital representation. Real tracking data is used to demonstrate that the theory's orbit determination and orbit prediction capabilities are favorably adaptable to and are comparable with results obtained utilizing complex definitive Cowell method solutions on satellites experiencing significant drag effects.

Gordon, R. A.↗
NASA NTRS1984

Direct numerical simulation of reacting flows

The objectives of this work are: (1) to extend the technique of direct numerical simulations to turbulent, chemically reacting flows, (2) to test the validity of the method by comparing computational results with laboratory data, and (3) to use the simulations to gain a better understanding of the effects of turbulence on chemical reactions. The effects of both the large scale structure and the smaller scale turbulence on the overall reaction rates are addressed. The relationship between infinite reaction rate and finite reaction rate chemistry is compared with some of the results of calculations with existing theories and laboratory data. The direct numerical simulation method involves the numerical solution of the detailed evolution of the complex turbulent velocity and concentration fields. Using very efficient numerical methods (e.g., pseudospectral methods), the fully nonlinear (possibly low pass filtered) equations of motion are solved and no closure assumptions or turbulence models are used. Statistical data are obtained by performing spatial, temporal, and/or ensemble averages over the computed flow fields.

Riley, J. J.↗
NASA NTRS1985

Integral functions of electron lateral distribution and their fluctuations in electron-photon cascades

Monte Carlo simulated lateral distribution functions for electrons of EPC developing in lead, at superhigh energies (.1-1 PeV) for depths t or = 60 c.u. delta t=1t. c.u. are presented. The higher moment characteristics, i.e., variation, asymmetry, excess, are presented along with analytical solutions for the same characteristics at fixed observation level calculated to theory approximations A and B by using numerical inversion of the Laplace transformation. The conclusion is made of a complex, usually non-Gaussian shape of the function of the particle number distribution within a circle of given radius at fixed depth.

Ivanenko, I. P.↗
NASA NTRS1985

Computation of Normal Modes from Identified Complex Modes

A technique is presented to compute a set of normal modes from a set of measured (damped) complex modes. The number of elements in the modal vectors, which is equal to the number of measurements, can be larger than the number of modes under consideration. It is also shown in this paper that the practice of normal mode approximation to complex modes can lead to considerably large errors when the modes are too complex. A numerical example and a simulated experiment are presented to illustrate the concepts discussed and to support the theory presented.

Ibrahim, S. R.↗
NASA NTRS2000

The Composition of Dust in the Interstellar Medium

In this talk I will review our current knowledge of the composition, abundance, and distribution of organic and related compounds in the diffuse and dense interstellar media (ISM) of our galaxy. This knowledge is the result of a combined effort of practitioners of telescopic observation, theory, and laboratory studies. We are increasingly coming to understand that the population of organic materials in space is complex and that it contains molecular species that are of direct interest to the fields not only of astrophysics and astrochemistry, but also astrobiology. In this talk I will concentrate my discussion on the various chemical processes that occur in the ISM, the classes of compounds they produce, and the various @-pes of evidence that we have that some of these materials survive incorporation into newly forming stellar/planetary systems. Finally, I will end with some comments on the possible implications of these materials for the origin of life.

Sandford, Scott A.↗
NASA NTRS2006

A New Theory of Trajectory Design and NASA's Vision

This new theory is defined as the use of chaos to design trajectories and orbits that can be used to meet complex mission goals. The benefits are; a) minimizes fuel costs; b) optimizes trajectory profiles; c) provides non-standard and new orbit designs; and d) mitigates operational risks. Other synonymous terms include dynamical systems, invariant manifolds, capture orbits and ballistic orbits.

Folta, David↗
NASA NTRS2008

Lunar Surface Habitat Configuration Assessment: Methodology and Observations

The Lunar Habitat Configuration Assessment evaluated the major habitat approaches that were conceptually developed during the Lunar Architecture Team II Study. The objective of the configuration assessment was to identify desired features, operational considerations, and risks to derive habitat requirements. This assessment only considered operations pertaining to the lunar surface and did not consider all habitat conceptual designs developed. To examine multiple architectures, the Habitation Focus Element Team defined several adequate concepts which warranted the need for a method to assess the various configurations. The fundamental requirement designed into each concept included the functional and operational capability to support a crew of four on a six-month lunar surface mission; however, other conceptual aspects were diverse in comparison. The methodology utilized for this assessment consisted of defining figure of merits, providing relevant information, and establishing a scoring system. In summary, the assessment considered the geometric configuration of each concept to determine the complexity of unloading, handling, mobility, leveling, aligning, mating to other elements, and the accessibility to the lunar surface. In theory, the assessment was designed to derive habitat requirements, potential technology development needs and identify risks associated with living and working on the lunar surface. Although the results were more subjective opposed to objective, the assessment provided insightful observations for further assessments and trade studies of lunar surface habitats. This overall methodology and resulting observations will be describe in detail and illustrative examples will be discussed.

Carpenter, Amanda↗
NASA NTRS2016

The New Sun-Sky-Lunar Cimel CE318-T Multiband Photometer - A Comprehensive Performance Evaluation

This paper presents the new photometer CE318-T, able to perform daytime and night-time photometric measurements using the sun and the moon as light source. Therefore,this new device permits a complete cycle of diurnal aerosol and water vapour measurements valuable to enhance atmospheric monitoring to be extracted. In this study wehave found significantly higher precision of triplets when comparing the CE318-T master instrument and the Cimel AErosol RObotic NET work (AERONET) master (CE318-AERONET) triplets as a result of the new CE318-T tracking system. Regarding the instrument calibration, two new methodologies to transfer the calibration from a reference instrument using only daytime measurements (Sun Ratio and Sun-Moon gain factor techniques) are presented and discussed. These methods allow the reduction of the previous complexities inherent to nocturnal calibration. A quantitative estimation of CE318-T AOD uncertainty by means of error propagation theory during daytime revealed AOD uncertainties (u(sup D)(sub AOD)) for Langley-calibrated instruments similar to the expected values for other reference instruments (0.002-0.009). We have also found u(sup D)(sub AOD) values similar to the values reported in sun photometry for field instruments (approximately 0.015). In the case of the night-time period, the CE318-T-estimated standard combined uncertainty (u(sup N)(sub AOD)) is dependent not only on the calibration technique but also on illumination conditions and the instrumental noise. These values range from 0.011-0.018 for Lunar Langley-calibrated instruments to 0.012-0.021 for instruments calibrated using the Sun Ratio technique. In the case of moon-calibrated instruments using the Sun-Moon gain factor method and sun calibrated using the Langley technique, we found u(sup N)(sub AOD) ranging from 0.016 to 0.017 (up to 0.019 in 440 nm channel), not dependent on any lunar irradiance model. A subsequent performance evaluation including CE318-T and collocated measurements from independent reference instruments has served to assess the CE318-T performance as well as to confirm its estimated uncertainty. Daytime AOD evaluation, performed at Izana station from March to June 2014, encompassed measurements from a reference CE318-T, a CE318-AERONET master instrument, a Precision Filter Radiometer (PFR) and a Precision Spectroradiometer (PSR) prototype, reporting low AOD discrepancies between the four instruments (up to 0.006). The nocturnal AOD evaluation was performed using CE318-T- and starphotometer-collocated measurements and also by means of a day/night coherence transition test using the CE318-T master instrument and the CE318 daytime data from the CE318-AERONET master instrument. Results showed low discrepancies with the star photometer at 870 and 500 nm channels(less tna or equal to 0.013) and differences with AERONET daytime data (1 h after and before sunset and sunrise) in agreement with the estimated u(sup N)(sub AOD) values at all illumination conditions in the case of channels within the visible spectral range, and only for high moon's illumination conditions in the case of near infrared channels. Perceptible water vapour (PWV) validation showed a good agreement between CE318-T and Global Navigation Satellite System (GNSS) PWV values for all illumination conditions, within the expected precision for sun photometry. Finally, two case studies have been included to highlight the ability of the new CE318-T to capture the diurnal cycle of aerosols and water vapour as well as short-term atmospheric variations, critical for climate studies.

Barreto, Africa↗
NASA NTRS2018

On the Development of Shell Buckling Knockdown Factors for Stiffened Metallic Launch Vehicle Cylinders

From the 1920s to the early 1970s, many shell buckling experiments were conducted in an effort to understand the complex buckling behavior exhibited by thin-walled cylindrical shells, to provide data to correlate with new shell stability theories, and provide design guidelines. Typically, the experiments yielded buckling loads that were substantially lower than the corresponding analytical predictions, which were based on simplified linear bifurcation analyses of geometrically perfect shells with nominal dimensions and idealized boundary conditions. The seminal works by von Kármán and Tsien, by Donnell and Wan, and by Koiter identified small deviations from the idealized geometry of a shell, known as initial geometric imperfections, as a primary source of the discrepancy between corresponding analytical predictions and experimental results. However, the computational tools and capabilities at that time could not perform the nonlinear analyses needed to assess the effects of these imperfections on the buckling behavior of thin-walled shells. Thus, buckling design allowables were determined by establishing lower bounds to test data. Specifically, empirical design factors, that have become known as knockdown factors, were determined and were to be used in conjunction with linear bifurcation analyses for simply supported shells; that is, these empirical factors were used to "knock down" the value of the unconservative simplified analytical prediction. This approach to shell buckling design has proved satisfactory for most design purposes and remains prominent in industry practice, as evidenced by the extensive use of the NASA space vehicle design criteria and recommendations. Unfortunately, the current design guidelines have not been updated since they were first published in the late 1960s and may not be able to take full advantage of modern materials, precision manufacturing processes, and new structural concepts.

Hilburger, Mark W.↗
DOE OSTI2026

Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding

The Concordant Mode Approach (CMA) is a novel method that offers tremendous potential for increasing the system size and the level of theory attainable in quantum chemical computations of molecular vibrational frequencies. To investigate the extension of CMA to intermolecular vibrations, computations with coupled cluster singles and doubles with perturbative triples theory [CCSD(T)] using two augmented correlation-consistent polarized-valence triple-ζ basis sets (aug-cc-pVTZ or h-aug-ccpVTZ) were performed on 17 prototypical loosely bound complexes of hydrogen-bonded, dispersion, and mixed character. These Level A results provide new and upgraded benchmarks for noncovalent bonding and a severe test for CMA vibrational analyses. The Level A target frequencies were recovered remarkably well using second-order Møller−Plesset perturbation theory (MP2) with h-aug-cc-pVTZ for generating the underlying (Level B) normal modes of the CMA scheme. Employing this Level B within the lowest-rung CMA-0A method reproduces the 435 benchmark frequencies with a mean absolute error (MAE) of 0.23 cm −1 and a corresponding standard deviation (σ) of 0.84 cm −1 ; strikingly, the corresponding subset of 106 interfragment frequencies exhibits MAE = 0.34 cm −1 and σ = 0.90 cm −1 . Subsequent application of the higher-rung CMA-2A scheme eliminates all outliers and reduces the overall MAE to a minuscule 0.08 cm −1 with the inclusion of only 3.0% of the off-diagonal couplings not accounted for by CMA-0A. Accordingly, the highly efficient CMA methodology proves to be robust even for vibrations on flat potential energy surfaces.

Aromatic compounds↗
DOE OSTI2020

Impacts of hydrogen bonding interactions with Np(v/vi)O 2 Cl 4 complexes: vibrational spectroscopy, redox behavior, and computational analysis

The neptunyl (Np(V)O 2 + /Np(VI)O 2 2+ ) cation is the dominant form of 237 Np in acidic aqueous solutions and the stability of the Np(V) and Np(VI) species is driven by the specific chemical constituents present in the system. Hydrogen bonding with the oxo group may impact the stability of these species, but there is limited understanding of how these intermolecular interactions influence the behavior of both solution and solid-state species. In the current study, we systematically evaluate the interactions between the neptunyl tetrachloride species and hydrogen donors in coordination complexes and in the related aqueous solutions. Both Np(V) compounds (N 2 C 4 H 12 ) 2 [Np(V)O 2 Cl 4 ]Cl (Np(V)pipz) and (NOC 4 H 10 ) 3 [Np(V)O 2 Cl 4 ] (Np(V)morph) exhibit directional hydrogen bonding to the neptunyl oxo group while Np(VI) compounds (NC 5 H 6 ) 2 [Np(VI)O 2 Cl 4 ] (Np(VI)pyr) and (NOC 4 H 10 ) 4 [Np(VI)O 2 Cl 4 ]·2Cl (Np(VI)morph) assemble via halogen interactions. Here, the Raman spectra of the solid-state phases indicate the activation of vibrational bands when there is asymmetry of the neptunyl bond, while these spectral features are not observed within the related solution phase spectra. Density functional theory calculations of the Np(V)pipz system suggest that activation of the ν 3 asymmetric stretch and other combination modes lead to additional complexity within the solid-state spectra. Electrochemical analyses of complexes in the solution phases are consistent with the results of the crystallization experiments as the voltammetric potentials of Np(V)/Np(VI) complexes in the presence of protonated heterocycles differ from the potentials of pure Np(V) and may correlate with the hydrogen bonding interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Coupled cluster benchmarks of large noncovalent complexes: The L7 dataset as well as DNA–ellipticine and buckycatcher–fullerene

In this work, benchmark binding energies for dispersion-bound complexes in the L7 dataset, the DNA–ellipticine intercalation complex, and the buckycatcher–C60 complex with 120 heavy atoms using a focal-point method based on the canonical form of second-order Møller−Plesset theory (MP2) and the domain based local pair natural orbital scheme for the coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] extrapolated to the complete basis set (CBS) limit are reported. This work allows for increased confidence given the agreement with respect to values recently obtained using the local natural orbital CCSD(T) for L7 and the canonical CCSD(T)/CBS result for the coronene dimer (C2C2PD). Therefore, these results can be considered pushing the CCSD(T)/CBS binding benchmark to the hundred-atom scale. The disagreements between the two state-of-the-art methods, CCSD(T) and fixed-node diffusion Monte Carlo, are substantial with at least 2.0 (∼10%), 1.9 (∼5%), and 10.3 kcal/mol (∼25%) differences for C2C2PD in L7, DNA–ellipticine, and buckycatcher–C60, respectively. Such sizable discrepancy above “chemical accuracy” for large noncovalent complexes indicates how challenging it is to obtain benchmark binding interactions for systems beyond small molecules, although the three up-to-date density functionals, PBE0+D4, ωB97M-V, and B97M-V, agree better with CCSD(T) for these large systems. In addition to reporting these values, different basis sets and various CBS extrapolation parameters for Hartree–Fock and MP2 correlation energies were tested for the first time in large noncovalent complexes with the goal of providing some indications toward optimal cost effective routes to approach the CBS limit without substantial loss in quality.

Ballesteros, Francisco (ORCID:0000000325732307)↗
NASA NTRS2017

Information Theoretic Evaluation of Satellite Soil Moisture Retrievals

Microwave radiometry has a long legacy of providing estimates of remotely sensed near surfacesoil moisture measurements over continental and global scales. A consistent assessment of theerrors and uncertainties associated with these retrievals is important for their effective utilization in modeling, data assimilation and end-use application environments. This article presents an evaluationof soil moisture retrieval products from AMSR-E, ASCAT, SMOS, AMSR2 and SMAPinstruments using information theory-based metrics. These metrics rely on time series analysis ofsoil moisture retrievals for estimating the measurement error, level of randomness (entropy) andregularity (complexity) of the data. The results of the study indicate that the measurement errors inthe remote sensing retrievals are significantly larger than that of the ground soil moisture measurements.The SMAP retrievals, on the other hand, were found to have reduced errors (comparable to Preprint submitted to Remote Sensing of Environment October 1, 2017those of in-situ datasets), particularly over areas with moderate vegetation. The SMAP retrievals also demonstrate high information content relative to other retrieval products, with higher levelsof complexity and reduced entropy. Finally, a joint evaluation of the entropy and complexity ofremotely sensed soil moisture products indicates that the information content of the AMSR-E, ASCAT,SMOS and AMSR2 retrievals is low, whereas SMAP retrievals show better performance. The use of information theoretic assessments is effective in quantifying the required levels of improvements needed in the remote sensing soil moisture retrievals to enhance their utility and information content.

Information theory↗
DOE OSTI2023

Revealing core-valence interactions in solution with femtosecond X-ray pump X-ray probe spectroscopy

Abstract Femtosecond pump-probe spectroscopy using ultrafast optical and infrared pulses has become an essential tool to discover and understand complex electronic and structural dynamics in solvated molecular, biological, and material systems. Here we report the experimental realization of an ultrafast two-color X-ray pump X-ray probe transient absorption experiment performed in solution. A 10 fs X-ray pump pulse creates a localized excitation by removing a 1 s electron from an Fe atom in solvated ferro- and ferricyanide complexes. Following the ensuing Auger–Meitner cascade, the second X-ray pulse probes the Fe 1 s → 3 p transitions in resultant novel core-excited electronic states. Careful comparison of the experimental spectra with theory, extracts +2 eV shifts in transition energies per valence hole, providing insight into correlated interactions of valence 3 d with 3 p and deeper-lying electrons. Such information is essential for accurate modeling and predictive synthesis of transition metal complexes relevant for applications ranging from catalysis to information storage technology. This study demonstrates the experimental realization of the scientific opportunities possible with the continued development of multicolor multi-pulse X-ray spectroscopy to study electronic correlations in complex condensed phase systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2013

From STEM to STEAM: Toward a Human-Centered Education

The 20th century was based on local linear engineering of complicated systems. We made cars, airplanes and chemical plants for example. The 21st century has opened a new basis for holistic non-linear design of complex systems, such as the Internet, air traffic management and nanotechnologies. Complexity, interconnectivity, interaction and communication are major attributes of our evolving society. But, more interestingly, we have started to understand that chaos theories may be more important than reductionism, to better understand and thrive on our planet. Systems need to be investigated and tested as wholes, which requires a cross-disciplinary approach and new conceptual principles and tools. Consequently, schools cannot continue to teach isolated disciplines based on simple reductionism. Science; Technology, Engineering, and Mathematics (STEM) should be integrated together with the Arts1 to promote creativity together with rationalization, and move to STEAM (with an "A" for Arts). This new concept emphasizes the possibility of longer-term socio-technical futures instead of short-term financial predictions that currently lead to uncontrolled economies. Human-centered design (HCD) can contribute to improving STEAM education technologies, systems and practices. HCD not only provides tools and techniques to build useful and usable things, but also an integrated approach to learning by doing, expressing and critiquing, exploring possible futures, and understanding complex systems.

Boy, Guy A.↗
NASA NTRS1997

A Viscoplastic Constitutive Theory for Monolithic Ceramic Materials

With increasing use of ceramic materials in high temperature structural applications such as advanced heat engine components, the need arises to accurately predict thermomechanical behavior. This paper, which is the first of two in a series, will focus on inelastic deformation behavior associated with these service conditions by providing an overview of a viscoplastic constitutive model that accounts for time-dependent hereditary material deformation (e.g., creep, stress relaxation, etc.) in monolithic structural ceramics. Early work in the field of metal plasticity indicated that inelastic deformations are essentially unaffected by hydrostatic stress. This is not the case, however, for ceramic-based material systems, unless the ceramic is fully dense. The theory presented here allows for fully dense material behavior as a limiting case. In addition, ceramic materials exhibit different time-dependent behavior in tension and compression. Thus, inelastic deformation models for ceramics must be constructed in a fashion that admits both sensitivity to hydrostatic stress and differing behavior in tension and compression. A number of constitutive theories for materials that exhibit sensitivity to the hydrostatic component of stress have been proposed that characterize deformation using time-independent classical plasticity as a foundation. However, none of these theories allow different behavior in tension and compression. In addition, these theories are somewhat lacking in that they are unable to capture creep, relaxation, and rate-sensitive phenomena exhibited by ceramic materials at high temperature. When subjected to elevated service temperatures, ceramic materials exhibit complex thermomechanical behavior that is inherently time-dependent, and hereditary in the sense that current behavior depends not only on current conditions, but also on thermo-mechanical history. The objective of this work is to present the formulation of a macroscopic continuum theory that captures these time-dependent phenomena. Specifically, the overview contained in this paper focuses on the multiaxial derivation of the constitutive model, and examines the scalar threshold function and its attending geometrical implications.

Janosik, Lesley A.↗
NASA NTRS1997

Sequential Test Strategies for Multiple Fault Isolation

In this paper, we consider the problem of constructing near optimal test sequencing algorithms for diagnosing multiple faults in redundant (fault-tolerant) systems. The computational complexity of solving the optimal multiple-fault isolation problem is super-exponential, that is, it is much more difficult than the single-fault isolation problem, which, by itself, is NP-hard. By employing concepts from information theory and Lagrangian relaxation, we present several static and dynamic (on-line or interactive) test sequencing algorithms for the multiple fault isolation problem that provide a trade-off between the degree of suboptimality and computational complexity. Furthermore, we present novel diagnostic strategies that generate a static diagnostic directed graph (digraph), instead of a static diagnostic tree, for multiple fault diagnosis. Using this approach, the storage complexity of the overall diagnostic strategy reduces substantially. Computational results based on real-world systems indicate that the size of a static multiple fault strategy is strictly related to the structure of the system, and that the use of an on-line multiple fault strategy can diagnose faults in systems with as many as 10,000 failure sources.

Shakeri, M.↗