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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 523 records · Page 29

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NASA NTRS1992

Computational studies of metal-metal and metal-ligand interactions

The geometric structure of Cr(CO)6 is optimized at the modified coupled-pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. A detailed comparison of the properties of free CO is therefore given, at both the MCPF and CCSD/CCSD(T) levels of treatment, using a variety of basis sets. With very large one-particle basis sets, the SSCD(T) method gives excellent results for the bond distance, dipole moment and harmonic frequency of free CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used here and in a previous study. Calculations using larger basis sets reduced the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. The remaining discrepancy between the experimental and theoretical total binding energy of Cr(CO)6 is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive se (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗

NASA NTRS1992

Structural damage detection using a subspace rotation algorithm

A computationally inexpensive algorithm is developed to provide an insight to the location of structural damage, using the original finite element model and a subset of measured eigenvalues and eigenvectors. The computational requirements of the algorithm may make the technique suitable for real-time implementation. With damage location determined, a second algorithm is developed to determine the extent of damage. The algorithms are demonstrated using two classes of structural models. The effects of eigenvector measurement error is demonstrated and techniques to overcome the effects of noise are discussed.

Zimmerman, David C.↗

NASA NTRS1992

The structure and energetics of Cr(CO)6 and Cr(CO)5

The geometric structure of Cr(CO)6 is optimized at the modified coupled pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD, and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD, and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used. Calculations using larger basis sets reduce the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. In the largest basis set, the total CO binding energy of Cr(CO)6 is estimated to be 140 kcal/mol at the CCSD(T) level of theory, or about 86 percent of the experimental value. The remaining discrepancy between the experimental and theoretical value is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive set (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗

NASA NTRS1993

An accuracy assessment of Cartesian-mesh approaches for the Euler equations

A critical assessment of the accuracy of Cartesian-mesh approaches for solving the Euler equations is made. An exact solution of the Euler equations (Ringleb's flow) is used not only to infer the order of error of the Cartesian mesh approaches, but also to compare the magnitude of the error directly to that obtained with a structured mesh approach. The effect of cell merging is investigated as well as the use of two different K-exact reconstruction procedures. The solution methodology of the schemes is explained and tabulated results are presented to compare the solution accuracies. Adaptive and uniform mesh refinement is evaluated for Ringleb's flow and the supersonic flow through an axisymmetric inlet.

Coirier, William J.↗

NASA NTRS1993

Application of neural nets in structural optimization

The biological motivation for Artificial Neural Net developments is briefly discussed, and the most popular paradigm, the feedforward supervised learning net with error back propagation training algorithm, is introduced. Possible approaches for utilization in structural optimization is illustrated through simple examples. Other currently ongoing developments for application in structural mechanics are also mentioned.

Berke, Laszlo↗

NASA NTRS1995

A spatially adaptive spectral re-ordering technique for lossless coding of hyper-spectral images

In this paper, we propose a new approach, applicable to lossless compression of hyper-spectral images, that alleviates some limitations of linear prediction as applied to this problem. According to this approach, an adaptive re-ordering of the spectral components of each pixel is performed prior to prediction and encoding. This re-ordering adaptively exploits, on a pixel-by pixel basis, the presence of inter-band correlations for prediction. Furthermore, the proposed approach takes advantage of spatial correlations, and does not introduce any coding overhead to transmit the order of the spectral bands. This is accomplished by using the assumption that two spatially adjacent pixels are expected to have similar spectral relationships. We thus have a simple technique to exploit spectral and spatial correlations in hyper-spectral data sets, leading to compression performance improvements as compared to our previously reported techniques for lossless compression. We also look at some simple error modeling techniques for further exploiting any structure that remains in the prediction residuals prior to entropy coding.

Memon, Nasir D.↗

NASA NTRS1995

An accuracy assessment of Cartesian-mesh approaches for the Euler equations

A critical assessment of the accuracy of Cartesian-mesh approaches for steady, transonic solutions of the Euler equations of gas dynamics is made. An exact solution of the Euler equations (Ringleb's flow) is used not only to infer the order of the truncation error of the Cartesian-mesh approaches, but also to compare the magnitude of the discrete error directly to that obtained with a structured mesh approach. Uniformly and adaptively refined solutions using a Cartesian-mesh approach are obtained and compared to each other and to uniformly refined structured mesh results. The effect of cell merging is investigated as well as the use of two different K-exact reconstruction procedures. The solution methodology of the schemes is explained and tabulated results are presented to compare the solution accuracies.

Coirier, William J.↗

NASA NTRS1997

Evolutionary Design of Controlled Structures

Basic physical concepts of structural delay and transmissibility are provided for simple rod and beam structures. Investigations show the sensitivity of these concepts to differing controlled-structures variables, and to rational system modeling effects. An evolutionary controls/structures design method is developed. The basis of the method is an accurate model formulation for dynamic compensator optimization and Genetic Algorithm based updating of sensor/actuator placement and structural attributes. One and three dimensional examples from the literature are used to validate the method. Frequency domain interpretation of these controlled structure systems provide physical insight as to how the objective is optimized and consequently what is important in the objective. Several disturbance rejection type controls-structures systems are optimized for a stellar interferometer spacecraft application. The interferometric designs include closed loop tracking optics. Designs are generated for differing structural aspect ratios, differing disturbance attributes, and differing sensor selections. Physical limitations in achieving performance are given in terms of average system transfer function gains and system phase loss. A spacecraft-like optical interferometry system is investigated experimentally over several different optimized controlled structures configurations. Configurations represent common and not-so-common approaches to mitigating pathlength errors induced by disturbances of two different spectra. Results show that an optimized controlled structure for low frequency broadband disturbances achieves modest performance gains over a mass equivalent regular structure, while an optimized structure for high frequency narrow band disturbances is four times better in terms of root-mean-square pathlength. These results are predictable given the nature of the physical system and the optimization design variables. Fundamental limits on controlled performance are discussed based on the measured and fit average system transfer function gains and system phase loss.

Masters, Brett P.↗

NASA NTRS2006

Estimation of Longitudinal Unsteady Aerodynamics of a Wing-Tail Combination From Wind Tunnel Data

This paper presents an initial step toward model identification from wind tunnel data for an airliner configuration. Two approaches to modeling a transport configuration are considered and applied to both steady and large-amplitude forced-oscillation wind tunnel data taken over a wide range of angles of attack. Only limited conclusions could be drawn from this initial data set. Although model estimated time histories of normal force and pitching moment agree reasonably well with the corresponding measured values, model damping parameters did not, for some cases, have values consistent with small amplitude oscillatory data. In addition, large parameter standard errors implied poor information content for model structure determination and parameter estimation. Further investigation of the modeling problem for more general aerodynamic models is recommended with close attention to experiment design for obtaining parameters with high accuracy.

Murphy, Patrick C.↗

NASA NTRS2009

Using the Saturn V and Titan III Vibroacoustic Databanks for Random Vibration Criteria Development

This is an update to TN D-7159, "Development and Application of Vibroacoustic Structural Data Banks in Predicting Vibration Design and Test Criteria for Rocket Vehicle Structures", which was originally published in 1973. Errors in the original document have been corrected and additional data from the Titan III program have been included. Methods for using the vibroacoustic databanks for vibration test criteria development are shown, as well as all of the data with drawings and pictures of the measurement locations. An Excel spreadsheet with the data included is available from the author.

Ferbee, R C.↗

NASA NTRS2014

Assessing the Origins of Aliphatic Amines in the Murchison Meteorite from their Compound-Specific Carbon Isotopic Ratios and Enantiomeric Composition

The study of meteoritic organic compounds provides a unique window into the chemical inventory of the early Solar System and prebiotic chemistry that may have been important for the origin of life on Earth. Multiple families of organic compounds have been extracted from the Murchison meteorite, which is one of the most thoroughly studied carbonaceous chondrites. The amino acids extracted from Murchison have been extensively analyzed, including measurements of non-terrestrial stable isotopic ratios and discoveries of L-enantiomeric excesses for alpha-dialkyl amino acids, notably isovaline. However, although the isotopic signatures of bulk amine-containing fractions have been measured, the isotopic ratios and enantiomeric composition of individual aliphatic amines, compounds that are chemically related to amino acids, remain unknown. Here, we report a novel method for the extraction, separation, identification and quantitation of aliphatic monoamines extracted from the Murchison meteorite. Our results show a complete suite of structural isomers, with a larger concentration of methylamine and ethylamine and decreasing amine concentrations with increasing carbon number. The carbon isotopic compositions of fourteen meteoritic aliphatic monoamines were measured, with delta C-13 values ranging from +21% to +129%, showing a decrease in C-13 with increasing carbon number, a relationship that may be consistent with the chain elongation mechanism under kinetic control previously proposed for meteoritic amino acids. We also found the enantiomeric composition of sec-butylamine, a structural analog to isovaline, was racemic within error, while the isovaline extracted from the same Murchison piece showed an L-enantiomeric excess of 9.7; this result suggested that processes leading to enantiomeric excess in the amino acid did not affect the amine. We used these collective data to assess the primordial synthetic origins of these meteoritic aliphatic amines and their potential linkage to meteoritic amino acids.

prebiotic chemistry↗

NASA NTRS2015

Configurable Aperture Space Telescope

In December 2014, we were awarded Center Innovation Fund to evaluate an optical and mechanical concept for a novel implementation of a segmented telescope based on modular, interconnected small sats (satlets). The concept is called CAST, a Configurable Aperture Space Telescope. With a current TRL is 2 we will aim to reach TLR 3 in Sept 2015 by demonstrating a 2x2 mirror system to validate our optical model and error budget, provide strawman mechanical architecture and structural damping analyses, and derive future satlet-based observatory performance requirements. CAST provides an alternative access to visible andor UV wavelength space telescope with 1-meter or larger aperture for NASA SMD Astrophysics and Planetary Science community after the retirement of HST.

Technology↗

NASA NTRS1973

Investigation of empirical damping laws for the space shuttle

An analysis of dynamic test data from vibration testing of a number of aerospace vehicles was made to develop an empirical structural damping law. A systematic attempt was made to fit dissipated energy/cycle to combinations of all dynamic variables. The best-fit laws for bending, torsion, and longitudinal motion are given, with error bounds. A discussion and estimate are made of error sources. Programs are developed for predicting equivalent linear structural damping coefficients and finding the response of nonlinearly damped structures.

Bernstein, E. L.↗

NASA NTRS1983

Distributed control of large space antennas

A systematic way to choose control design parameters and to evaluate performance for large space antennas is presented. The structural dynamics and control properties for a Hoop and Column Antenna and a Wrap-Rib Antenna are characterized. Some results of the effects of model parameter uncertainties to the stability, surface accuracy, and pointing errors are presented. Critical dynamics and control problems for these antenna configurations are identified and potential solutions are discussed. It was concluded that structural uncertainties and model error can cause serious performance deterioration and can even destabilize the controllers. For the hoop and column antenna, large hoop and long meat and the lack of stiffness between the two substructures result in low structural frequencies. Performance can be improved if this design can be strengthened. The two-site control system is more robust than either single-site control systems for the hoop and column antenna.

Cameron, J. M.↗

DOE OSTI2019

Solvent–Adsorbate Interactions and Adsorbate-Specific Solvent Structure in Carbon Dioxide Reduction on a Stepped Cu Surface

In this work, the structure of water and its interactions with various carbon dioxide reduction intermediates adsorbed on a Cu(211) surface is investigated using density functional theory. We find that the presence of adsorbates has a significant and adsorbate-specific effect on the local water structure and that solvation can stabilize adsorbate conformations different from those found in vacuum. We describe relationships between the hydrogen bonding capability of an adsorbate, the dipole moment of the adsorbate, the energetic strength of water–adsorbate interactions, and the change induced in the local water orientation by the adsorbate. Mechanistic implications are discussed. Here, we investigate and quantify the error associated with using arbitrary locally optimized solvent structures in calculations of relevant physical quantities, such as solvated binding energies and work functions. Possible effects of thermal motion on calculations of the work function are investigated using ab initio molecular dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2014

Precise Truss Assembly Using Commodity Parts and Low Precision Welding

Hardware and software design and system integration for an intelligent precision jigging robot (IPJR), which allows high precision assembly using commodity parts and low-precision bonding, is described. Preliminary 2D experiments that are motivated by the problem of assembling space telescope optical benches and very large manipulators on orbit using inexpensive, stock hardware and low-precision welding are also described. An IPJR is a robot that acts as the precise "jigging", holding parts of a local structure assembly site in place, while an external low precision assembly agent cuts and welds members. The prototype presented in this paper allows an assembly agent (for this prototype, a human using only low precision tools), to assemble a 2D truss made of wooden dowels to a precision on the order of millimeters over a span on the order of meters. The analysis of the assembly error and the results of building a square structure and a ring structure are discussed. Options for future work, to extend the IPJR paradigm to building in 3D structures at micron precision are also summarized.

Komendera, Erik↗

NASA NTRS1989

Bandwidth-limited robust nonlinear sliding control of pointing and tracking maneuvers

It is shown how multiaxial spacecraft tracking and pointing maneuvers with known control bandwidth and given tracking error bounds can be implemented by variable-structure control in the presence of uncertain vehicle and target dynamics. It is shown how to select a nonlinear sliding surface relating attitude and rate variables, as well as a Lyapunov function in the surface variables that absorbs multiplicative model undertainties, thereby simplifying the computation of control corrections. It is then shown how a boundary layer envelope can be designed, within which the components of the surface error dynamics can be modeled as the outputs of designer-selected decoupled low-pass filters. Closed-loop stability conditions accounting for the coupling between the attitude error dynamics and the surface error dynamics are then obtained.

Dwyer, Thomas A. W., III↗

NASA NTRS1991

Error analysis of image reconstruction by a synthetic aperture interferometric radiometer

An error analysis is presented for the image reconstruction algorithm currently employed by the electronically steered thinned array radiometer aircraft instrument. This instrument samples components of the Fourier transform of the brightness temperature distribution at 1.4 GHz. Sources of error are identified, including systematic offsets and stochastic noise in the measurements, errors in the interference pattern antenna calibration, multipath scattering from the antenna support structure, mutual coupling between nearby array elements, and variations in the antenna patterns of the array elements. These errors are shown to produce artifacts in the image which appear as 'streaks' running along the instrument flight line. Possible hardware corrections are discussed. These include a reduction in the profile of the antenna support structure and a decoupling of adjacent and other nearby array elements using corrugated 'skirts'. Also discussed are several image enhancement techniques which detect and correct for some of the streaking. These techniques include a renormalization of the interference patterns based on the measured element patterns, a perturbation based interpretation of image contrast, and a covariance analysis of noise present in the image.

Ruf, Christopher S.↗