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At least 145 records · Page 8

Perturbation of 1 J C,F Coupling in Carbon–Fluorine Bonds on Coordination to Lewis Acids: A Structural, Spectroscopic, and Computational Study

A lithiated m-terphenyl ligand bearing fluorine atoms at the ortho positions of the flanking aryl rings was synthesized and characterized using single crystal X-ray diffraction, variable-temperature multinuclear NMR spectroscopy, and computational methods. Here, changes in 1 J C,F on coordination to lithium as a spectroscopic observable parametrizing the strength of the C–F···Li interaction are described, and a general, qualitative relationship between C–F bond lengths, Δ 1 J C,F values, and the extent of C–F bond activation as a result of Lewis acid coordination is proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Efficient Algorithms for Computing Trim and Small-Disturbance Equations of Motion of Aircraft Coordinated and Uncoordinated, Steady, Steep Turns

The development of computational algorithms that permit efficient calculation of aircraft trim states and of the associated small disturbance equations of motion for a systematic investigation of the statics and dynamics of aircraft in coordinated and uncoordinated, steady, steep turning flight is reported. The efficiency in the trim computation is realized by decoupling the governing equations. The small disturbance equations of motion, which are given in a general body axis system, include aerodynamic acceleration derivatives; they are cast in a familiar first order, vector matrix format of modern system theory. These algorithms were applied to a variety of rotorcraft simulation models. Results pertaining to a simulated hingeless rotor helicopter are also presented

Chen, Robert T. N.↗

Efficient Algorithm for Rectangular Spiral Search

An algorithm generates grid coordinates for a computationally efficient spiral search pattern covering an uncertain rectangular area spanned by a coordinate grid. The algorithm does not require that the grid be fixed; the algorithm can search indefinitely, expanding the grid and spiral, as needed, until the target of the search is found. The algorithm also does not require memory of coordinates of previous points on the spiral to generate the current point on the spiral.

Brugarolas, Paul↗

Computer-developed construction of analytic expressions for the coordinates and partial derivatives of Jupiter's Galilean satellites

A method for improving Sampson's (1910, 1912, 1921) original work in developing series expressions for accurate coordinates of the Galilean satellites is discussed. The method, which utilizes computer-based algebraic manipulation software, was developed to reconstruct Sampson's theory, remove existing errors, introduce neglected effects, and provide analytic expressions for the coordinates as well as for the partial derivatives with respect to orbital parameters, Jupiter's mass and oblateness, the satellite masses, and Jupiter's pole and rotation period. The software system, capable of handling Poisson series with up to 73 polynomial variables and 28 trigonometric arguments, is described. The preliminary solution is presented, and procedures are outlined for calculating perturbations and eliminating auxiliary parameters.

Lieske, J. H.↗

Accretion of matter and spectra of binary X-ray sources in massive gravity

We study low-mass binary X-ray sources involving stellar mass black holes within massive gravity. Regarding the accretion disk, we adopt the standard model for an optically thick, cool, and geometrically thin disk by Shakura–Sunyaev. For the gravitational field generated by the black hole, we consider the analogue of the Schwarzschild–de Sitter space–time of Einstein’s theory in massive gravity, for which we found an additional term linear in the radial coordinate. Then, we compute the radial velocity, the energy density and the pressure as a function of the radial coordinate, and the X-ray emission’s soft spectral component expected from the disk. We also investigated in detail the impact of this new geometry. Our result indicates that by using observed spectra from confirmed X-ray binaries involving astrophysical black holes, we can put strong constraints on alternative theories of gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High Pressure Water Stripping Using Multi-Orifice Nozzles

The use of multi-orifice rotary nozzles greatly increases the speed and stripping effectiveness of high pressure water blasting systems, but also greatly increases the complexity of selecting and optimizing the operating parameters. The rotational speed of the nozzle must be coupled with its transverse velocity as it passes across the surface of the substrate being stripped. The radial and angular positions of each orifice must be included in the analysis of the nozzle configuration. Orifices at the outer edge of the nozzle head move at a faster rate than the orifices located near the center. The energy transmitted to the surface from the impact force of the water stream from an outer orifice is therefore spread over a larger area than energy from an inner orifice. Utilizing a larger diameter orifice in the outer radial positions increases the total energy transmitted from the outer orifice to compensate for the wider distribution of energy. The total flow rate from the combination of all orifices must be monitored and should be kept below the pump capacity while choosing orifice to insert in each position. The energy distribution from the orifice pattern is further complicated since the rotary path of all the orifices in the nozzle head pass through the center section. All orifices contribute to the stripping in the center of the path while only the outer most orifice contributes to the stripping at the edge of the nozzle. Additional orifices contribute to the stripping from the outer edge toward the center section. With all these parameters to configure and each parameter change affecting the others, a computer model was developed to track and coordinate these parameters. The computer simulation graphically indicates the cumulative affect from each parameter selected. The result from the proper choices in parameters is a well designed, highly efficient stripping system. A poorly chosen set of parameters will cause the nozzle to strip aggressively in some areas while leaving the coating untouched in adjacent sections. The high pressure water stripping system can be set to extremely aggressive conditions allowing stripping of hard to remove adhesives, paint systems, and even cladding and chromate conversion coatings. The energy force can also be reduced to strip coatings from thin aluminum substrates without causing any damage or deterioration to the substrate's surface. High pressure water stripping of aerospace components has thus proven to be an efficient and cost effective method for cleaning and removing coatings.

Hoppe, David↗

High Pressure Water Stripping Using Multi-Orifice Nozzles

The use of multi-orifice rotary nozzles not only increases the speed and stripping effectiveness of high pressure water blasting systems, but also greatly increases the complexity of selecting and optimizing the operating parameters. The rotational speed of the nozzle must be coupled with the transverse velocity of the nozzle as it passes across the surface of the substrate being stripped. The radial and angular positions of each orifice must be included in the analysis of the nozzle configuration. Since orifices at the outer edge of the nozzle head move at a faster rate than the orifice located near the center, the energy impact force of the water stream from the outer orifice is spread over a larger area than the water streams from the inner orifice. Utilizing a larger diameter orifice in the outer radial positions increases the energy impact to compensate for its wider force distribution. The total flow rate from the combination of orifices must be monitored and kept below the pump capacity while choosing an orifice to insert in each position. The energy distribution from the orifice pattern is further complicated since the rotary path of all orifices in the nozzle head pass through the center section, contributing to the stripping in this area while only the outer most orifice contributes to the stripping in the shell area at the extreme outside edge of the nozzle. From t he outer most shell to the center section, more orifices contribute to the stripping in each progressively reduced diameter shell. With all these parameters to configure and each parameter change affecting the others, a computer model was developed to track and coordinate these parameters. The computer simulation responds by graphically indicating the cumulative affect from each parameter selected. The results from the proper choices in parameters is a well designed, highly efficient stripping system. A poorly chosen set of parameters will cause the nozzle to strip aggressively in some areas while leaving the coating untouched in adjacent sections. The high pressure water stripping system can be set to extremely aggressive conditions allowing stripping of hard to remove adhesives, paint systems, cladding and chromate conversion coatings. The energy force can be reduced to strip coatings from thin aluminum substrates without causing damage or deterioration to the substrate's surface. High pressure water stripping of aerospace components have thus proven to be an efficient and cost effective method for cleaning and removing coatings.

Hoppe, David T.↗

Ultra-Compact Transputer-Based Controller for High-Level, Multi-Axis Coordination

The design of machines that rely on arrays of servomotors such as robotic arms, orbital platforms, and combinations of both, imposes a heavy computational burden to coordinate their actions to perform coherent tasks. For example, the robotic equivalent of a person tracing a straight line in space requires enormously complex kinematics calculations, and complexity increases with the number of servo nodes. A new high-level architecture for coordinated servo-machine control enables a practical, distributed transputer alternative to conventional central processor electronics. The solution is inherently scalable, dramatically reduces bulkiness and number of conductor runs throughout the machine, requires only a fraction of the power, and is designed for cooling in a vacuum.

Zenowich, Brian↗

Experimental Stage Separation Tool Development in NASA Langley's Aerothermodynamics Laboratory

As part of the research effort at NASA in support of the stage separation and ascent aerothermodynamics research program, proximity testing of a generic bimese wing-body configuration was conducted in NASA Langley's Aerothermodynamics Laboratory in the 20-Inch Mach 6 Air Tunnel. The objective of this work is the development of experimental tools and testing methodologies to apply to hypersonic stage separation problems for future multi-stage launch vehicle systems. Aerodynamic force and moment proximity data were generated at a nominal Mach number of 6 over a small range of angles of attack. The generic bimese configuration was tested in a belly-to-belly and back-to-belly orientation at 86 relative proximity locations. Over 800 aerodynamic proximity data points were taken to serve as a database for code validation. Longitudinal aerodynamic data generated in this test program show very good agreement with viscous computational predictions. Thus a framework has been established to study separation problems in the hypersonic regime using coordinated experimental and computational tools.

Murphy, Kelly J.↗

Finite element solution algorithm for incompressible fluid dynamics

A finite element solution algorithm is established for the two-dimensional Navier-Stokes equations governing the transient motion of a viscous incompressible fluid, i.e., hydrodynamics. Dependent variable transformation renders the differential equation description uniformly elliptic. The finite element algorithm is established using the Galerkin criterion on a local basis within the Method of Weighted Residuals. It is unconstrained with respect to system linearity, computational mesh uniformity or solution domain closure regularity. The finite element matrices are established using a linear 'natural coordinate function' description. Computational solutions using the COMOC computer program illustrate the various features of the algorithm including recirculating flows.

Baker, A. J.↗

Progress in development of a Navier-Stokes solver for evaluation of iced airfoil performance

A method is being developed for evaluation of the flow field behavior about an airfoil with significant ice accretion on the leading edge. The computer code, being evaluated for this purpose, solves the Navier-Stokes equations in a body-fitted curvilinear coordinate system. This requires the use of a grid generation code to transform the x-y coordinates of the physical space into xi-eta coordinates of the computational space. Evaluation of the suitability of these two codes for predicting iced airfoil performance is presently being carried out in anticipation of use in an overall icing analysis effort. Results of this evaluation to date indicate good correlation with known information on clean airfoils. Preliminary results for rime and glaze, iced airfoil shapes are also presented.

Potapczuk, M. G.↗

Accuracy requirements and benchmark experiments for CFD validation

The role of experiment in the development of Computation Fluid Dynamics (CFD) for aerodynamic flow prediction is discussed. The CFD verification is a concept that depends on closely coordinated planning between computational and experimental disciplines. Because code applications are becoming more complex and their potential for design more feasible, it no longer suffices to use experimental data from surface or integral measurements alone to provide the required verification. Flow physics and modeling, flow field, and boundary condition measurements are emerging as critical data. Four types of experiments are introduced and examples given that meet the challenge of validation: flow physics experiments; flow modeling experiments; calibration experiments; and verification experiments. Measurement and accuracy requirements for each of these differ and are discussed. A comprehensive program of validation is described, some examples given, and it is concluded that the future prospects are encouraging.

Marvin, Joseph G.↗

Accuracy requirements and benchmark experiments for CFD validation

The role of experiment in the development of Computational Fluid Dynamics (CFD) for aerodynamic flow prediction is discussed. The CFD verification is a concept that depends on closely coordinated planning between computational and experimental disciplines. Because code applications are becoming more complex and their potential for design more feasible, it no longer suffices to use experimental data from surface or integral measurements alone to provide the required verification. Flow physics and modeling, flow field, and boundary condition measurements are emerging as critical data. Four types of experiments are introduced and examples are given that meet the challenge of validation: flow physics experiments; flow modeling experiments; calibration experiments; and verification experiments. Measurement and accuracy requirements for each of these differ and are discussed. A comprehensive program of validation is described, some examples given, and it is concluded that the future prospects are encouraging.

Marvin, Joseph G.↗

3D Position and Velocity Vector Computations of Objects Jettisoned from the International Space Station Using Close-Range Photogrammetry Approach

Measurement of the jettisoned object departure trajectory and velocity vector in the International Space Station (ISS) reference frame is vitally important for prompt evaluation of the object s imminent orbit. We report on the first successful application of photogrammetric analysis of the ISS imagery for the prompt computation of the jettisoned object s position and velocity vectors. As post-EVA analyses examples, we present the Floating Potential Probe (FPP) and the Russian "Orlan" Space Suit jettisons, as well as the near-real-time (provided in several hours after the separation) computations of the Video Stanchion Support Assembly Flight Support Assembly (VSSA-FSA) and Early Ammonia Servicer (EAS) jettisons during the US astronauts space-walk. Standard close-range photogrammetry analysis was used during this EVA to analyze two on-board camera image sequences down-linked from the ISS. In this approach the ISS camera orientations were computed from known coordinates of several reference points on the ISS hardware. Then the position of the jettisoned object for each time-frame was computed from its image in each frame of the video-clips. In another, "quick-look" approach used in near-real time, orientation of the cameras was computed from their position (from the ISS CAD model) and operational data (pan and tilt) then location of the jettisoned object was calculated only for several frames of the two synchronized movies. Keywords: Photogrammetry, International Space Station, jettisons, image analysis.

Papanyan, Valeri↗

Divergent Bimetallic Mechanisms in Copper(II)-Mediated C–C, N–N, and O–O Oxidative Coupling Reactions

Copper-catalyzed aerobic oxidative coupling of diaryl imines provides a route for conversion of ammonia to hydrazine. Here the present study uses experimental and density functional theory computational methods to investigate the mechanism of N–N bond formation, and the data support a mechanism involving bimolecular coupling of Cu-coordinated iminyl radicals. Computational analysis is extended to Cu II -mediated C–C, N–N, and O–O coupling reactions involved in the formation of cyanogen (NC–CN) from HCN, 1,3-butadiyne from ethyne (i.e., Glaser coupling), hydrazine from ammonia, and hydrogen peroxide from water. The results reveal two different mechanistic pathways. Heteroatom ligands with an uncoordinated lone pair (iminyl, NH 2 , OH) undergo charge transfer to Cu II , generating ligand-centered radicals that undergo facile bimolecular radical–radical coupling. Ligands lacking a lone pair (CN and CCH) form bridged binuclear diamond-core structures that undergo C–C coupling. This mechanistic bifurcation is rationalized by analysis of spin densities in key intermediates and transition states, as well as multiconfigurational calculations. Radical–radical coupling is especially favorable for N–N coupling owing to energetically favorable charge transfer in the intermediate and thermodynamically favorable product formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum Speedup for Aeroscience and Engineering

Algorithms and hardware for quantum computing (QC) are reaching a critical stage in their development and have the potential to generate a paradigm shift in computing capability across a range of fields. Opportunities are growing for genuine impact of these systems over a timescale of 10-15 years, and there has been significant investment both from government agencies and private industry in its development. However, utilization of quantum phenomena is extraordinarily challenging due to its delicate nature and difficulties in measurement and control. A clear path exists toward demonstrating the advantages of QC over existing high-performance computing for some physics and materials science problems but addressing practical computational challenges in other fields, though promising, is at an early stage of development. Reaching the next level of development will require strategic coordination between physicists, computer & information scientists, mathematicians, and engineers, in order to transition this technology from the laboratory to robust and scalable computations for practical problems, especially those of interest to the aeroscience and engineering community. This community has been relying on high-performance computing heavily and will surely want to be informed of the developments in QC. This survey introduces the background and current state of the art in QC, as well as its perceived opportunities and challenges.

Peyman Givi↗