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  • Inorganic Chemistry  (1,183)
  • Fluid Mechanics and Thermodynamics
  • 1995-1999  (680)
  • 1980-1984
  • 1950-1954  (378)
  • 1945-1949  (207)
  • 1910-1914
  • 1997  (680)
  • 1953  (378)
  • 1948  (165)
  • 1945  (42)
Collection
Keywords
Publisher
Years
  • 1995-1999  (680)
  • 1980-1984
  • 1950-1954  (378)
  • 1945-1949  (207)
  • 1910-1914
Year
  • 1
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    Reversal in Spreading of a Tabbed Circular Jet Under Controlled Excitation (1997)
    In:  CASI
    Details
    Publication Date: 2013-08-31
    Description: Detailed flow field measurements have been carried out for a turbulent circular jet perturbed by tabs and artificial excitation. Two "delta tabs" were placed at the nozzle exit at diametricall opposite y locations. The excitation condition involved subharmonic resonance that manifested in a periodic vortex pairing in the near flow field. While the excitation and the tabs independently increased jet spreading, a combination of the two diminished the effect. The jet spreading was most pronounced with the tabs but was reduced when excitation was applied to the tabbed jet. The tabs generated streamwise vortex pairs that caused a lateral spreading of the jet in a direction perpendicular to the plane containing the tabs. ne excitation, on the other hand, organized the azimuthal vorticity into coherent ring structures whose evolution and pairing also increased entrainment by the jet. In the tabbed case, the excitation produced coherent azimuthal structures that were distorted and asymmetric in shape. The self-induction of these structures produced an effect that opposed the tendency for the lateral spreading of the streamwise vortex pairs. The passage of the distorted vortices, and their pairing, also had a cancellation effect on the time-averaged streamwise vorticity field. These led to the reduction in jet spreading.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Physics of Fluids; Volume 9; No. 12; 3733-3741
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  • 2
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    Computation of Transonic Flows Using Potential Methods (1997)
    In:  Other Sources
    Details
    Publication Date: 2011-08-23
    Description: The proposed paper will describe the state of the art associated with numerical solution of the full or exact velocity potential equation for solving transonic, external-aerodynamic flows. The presentation will begin with a review of the literature emphasizing research activities of the past decade. Next, the various forms of the full or exact velocity potential equation, the equation's corresponding mathematical characteristics, and the derivation assumptions will be presented and described in detail. Impact of the derivation assumptions on simulation accuracy, especially with respect to shock wave capture, will be presented and discussed relative to the more complete Euler or Navier-Stokes formulations. The technical presentation will continue with a description of recently developed full potential numerical approach characteristics. This description will include governing equation nondimensionalization, physical-to-computational-domain mapping procedures, a limited description of grid generation requirements, the spatial discretization scheme, numerical implementation of boundary conditions, and the iteration scheme. The next portion of the presentation will present and discuss numerical results for several two- and three-dimensional aerodynamic applications. Included in the results section will be a discussion and demonstration of a typical grid refinement analysis for determining spatial convergence of the numerical solution and level of solution accuracy. Computer timings for a variety of full potential applications will be compared and contrasted with similar results for the Euler equation formulation. Finally. the presentation will end with concluding remarks and recommendations for future work.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 3
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    Miniature Heat Pipes (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-09
    Description: Small Business Innovation Research contracts from Goddard Space Flight Center to Thermacore Inc. have fostered the company work on devices tagged "heat pipes" for space application. To control the extreme temperature ranges in space, heat pipes are important to spacecraft. The problem was to maintain an 8-watt central processing unit (CPU) at less than 90 C in a notebook computer using no power, with very little space available and without using forced convection. Thermacore's answer was in the design of a powder metal wick that transfers CPU heat from a tightly confined spot to an area near available air flow. The heat pipe technology permits a notebook computer to be operated in any position without loss of performance. Miniature heat pipe technology has successfully been applied, such as in Pentium Processor notebook computers. The company expects its heat pipes to accommodate desktop computers as well. Cellular phones, camcorders, and other hand-held electronics are forsible applications for heat pipes.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Spinoff 1997; 100; NASA/NP-1997-08-226-HQ
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  • 4
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    Measurement of Gust Response on a Turbine Cascade (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: This in-house experiment on the gust response of an annular turbine cascade was particularly designed to provide data to compare with the results of a typical, linearized gust-response analysis. Reduced frequency, Mach number, and incidence were varied independently. Except for the lowest reduced frequency, the gust velocity distribution was nearly sinusoidal. For the high inlet-velocity series of tests, the cascade was near choking. The mean flow was documented by measuring blade surface pressures and the cascade exit flow, and high-response pressure transducers were used to measure the unsteady pressure distribution. Inlet-velocity components and turbulence parameters were measured using hot wire anemometry. In addition to the synchronous time-averaged pressure spectra, typical power spectra are included for several representative conditions.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 5
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    Effects of Rotor Wake on Film Cooling Investigated (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: Through a combination of experimental and computational studies, researchers at the NASA Lewis Research Center investigated the effect of upstream blade-row wake passing on the showerhead (leading edge) film cooling of a downstream turbine. The experiments were performed in a steady-flow annular turbine cascade facility equipped with an upstream rotating row of cylindrical rods to produce a periodic wake field similar to that found in an actual turbine. Spanwise, chordwise, and temporal resolution of the blade surface temperature were achieved through the use of an array of nickel thin-film surface gauges covering one unit cell of a showerhead film hole pattern. Film effectiveness and Nusselt numbers were determined for a test matrix of various injectants, injectant blowing ratios, and wake Strouhal numbers (St).
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 6
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    Controls/CFD Interdisciplinary Research Software Generates Low-Order Linear Models for Control Design From Steady-State CFD Results (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: The NASA Lewis Research Center is developing analytical methods and software tools to create a bridge between the controls and computational fluid dynamics (CFD) disciplines. Traditionally, control design engineers have used coarse nonlinear simulations to generate information for the design of new propulsion system controls. However, such traditional methods are not adequate for modeling the propulsion systems of complex, high-speed vehicles like the High Speed Civil Transport. To properly model the relevant flow physics of high-speed propulsion systems, one must use simulations based on CFD methods. Such CFD simulations have become useful tools for engineers that are designing propulsion system components. The analysis techniques and software being developed as part of this effort are an attempt to evolve CFD into a useful tool for control design as well. One major aspect of this research is the generation of linear models from steady-state CFD results. CFD simulations, often used during the design of high-speed inlets, yield high resolution operating point data. Under a NASA grant, the University of Akron has developed analytical techniques and software tools that use these data to generate linear models for control design. The resulting linear models have the same number of states as the original CFD simulation, so they are still very large and computationally cumbersome. Model reduction techniques have been successfully applied to reduce these large linear models by several orders of magnitude without significantly changing the dynamic response. The result is an accurate, easy to use, low-order linear model that takes less time to generate than those generated by traditional means. The development of methods for generating low-order linear models from steady-state CFD is most complete at the one-dimensional level, where software is available to generate models with different kinds of input and output variables. One-dimensional methods have been extended somewhat so that linear models can also be generated from two- and three-dimensional steady-state results. Standard techniques are adequate for reducing the order of one-dimensional CFD-based linear models. However, reduction of linear models based on two- and three-dimensional CFD results is complicated by very sparse, ill-conditioned matrices. Some novel approaches are being investigated to solve this problem.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 7
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    Absolute Equilibrium Entropy (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 8
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    Relaxation Revisited: A Fresh Look at Multigrid for Steady Flows (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: The year 1971 saw the publication of one of the landmark papers in computational aerodynamics, that of Murman and Cole. As with many seminal works, its significance lies not so much in the specific problem that it addressed| small disturbance, plane transonic flow - but in the identification of a general approach to the solution of a technically important and theoretically difficult problem. The key features of Murman and Cole's work were the use of type- dependent differencing to correctly account for the proper domain of dependence of a mixed elliptic/hyperbolic equation, and the introduction of line relaxation to solve the steady flow equation. All subsequent work in transonic potential flows was based on these concepts. Jameson extended Murman and Cole's ideas to the full potential equation with two important contributions. First, he introduced the rotated difference stencil, which generalized the Murman and Cole type-dependent difference operator to general coordinates. Second, he used the interpretation, introduced by Garabedian, of relaxation as an iteration in artificial time to construct stable relaxation schemes, generalizing the original line relaxation method of Reference. The decade of the 1970s saw an explosion of activity in the solution of transonic potential flows, which has been summarized in the review article of Caughey.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 9
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    Static Aeroelastic Analysis of Transonic Wind Tunnel Models Using Finite Element Methods (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-02
    Description: A computational method for accurately predicting the static aeroelastic deformations of typical transonic transport wind tunnel models is described. The method utilizes a finite element method (FEM) for predicting the deformations. Extensive calibration/validation of this method was carried out using a novel wind-off wind tunnel model static loading experiment and wind-on optical wing twist measurements obtained during a recent wind tunnel test in the National Transonic Facility (NTF) at NASA LaRC. Further validations were carried out using a Navier-Stokes computational fluid dynamics (CFD) flow solver to calculate wing pressure distributions about several aeroelastically deformed wings and comparing these predictions with NTF experimental data. Results from this aeroelastic deformation method are in good overall agreement with experimentally measured values. Including the predicted deformations significantly improves the correlation between CFD predicted and experimentally measured wing & pressures.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 10
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    Bleed Hole Flow Phenomena Studied (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-02
    Description: Boundary-layer bleed is an invaluable tool for controlling the airflow in supersonic aircraft engine inlets. Incoming air is decelerated to subsonic speeds prior to entering the compressor via a series of oblique shocks. The low momentum flow in the boundary layer interacts with these shocks, growing in thickness and, under some conditions, leading to flow separation. To remedy this, bleed holes are strategically located to remove mass from the boundary layer, reducing its thickness and helping to maintain uniform flow to the compressor. The bleed requirements for any inlet design are unique and must be validated by extensive wind tunnel testing to optimize performance and efficiency. To accelerate this process and reduce cost, researchers at the NASA Lewis Research Center initiated an experimental program to study the flow phenomena associated with bleed holes. Knowledge of these flow properties will be incorporated into computational fluid dynamics (CFD) models that will aid engine inlet designers in optimizing bleed configurations before any hardware is fabricated. This ongoing investigation is currently examining two hole geometries, 90 and 20 (both with 5-mm diameters), and various flow features.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 11
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    SWIFT: Multistage Turbomachinery Analysis Code Developed (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: A new turbomachinery analysis code called SWIFT has been developed at the NASA Lewis Research Center. SWIFT solves thin-layer Navier-Stokes equations with the Baldwin-Lomax turbulence model and an explicit finite-difference scheme. Preconditioning allows the code to be used for all speed ranges, from incompressible to supersonic flows. Multiblock capability allows three types of grids to be patched together to simulate many types of turbomachinery geometries, including hub and tip clearances. In addition, code users can analyze multistage turbomachinery by using a steady averaging-plane approach. This approach uses linearized characteristic boundary conditions to pass information accurately between the stages.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 12
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    Surface Tension Driven Convection Experiment Completed (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: The Surface Tension Driven Convection Experiment (STDCE) was designed to study basic fluid mechanics and heat transfer on thermocapillary flows generated by temperature variations along the free surfaces of liquids in microgravity. STDCE first flew on the USML-1 mission in July 1992 and was rebuilt for the USML-2 mission that was launched in October 1995. This was a collaborative project with principal investigators from Case Western Reserve University (CWRU), Professors Simon Ostrach and Yasuhiro Kamotani, along with a team from the NASA Lewis Research Center composed of civil servants and contractors from Aerospace Design & Fabrication, Inc. (ADF), Analex, and NYMA, Inc.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 13
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    Flow of a Gas Turbine Engine Low-Pressure Subsystem Simulated (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: The NASA Lewis Research Center is managing a task to numerically simulate overnight, on a parallel computing testbed, the aerodynamic flow in the complete low-pressure subsystem (LPS) of a gas turbine engine. The model solves the three-dimensional Navier- Stokes flow equations through all the components within the LPS, as well as the external flow around the engine nacelle. The LPS modeling task is being performed by Allison Engine Company under the Small Engine Technology contract. The large computer simulation was evaluated on networked computer systems using 8, 16, and 32 processors, with the parallel computing efficiency reaching 75 percent when 16 processors were used.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 14
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    Computational Fluid Dynamics Analysis Method Developed for Rocket-Based Combined Cycle Engine Inlet (1997)
    In:  CASI
    Details
    Publication Date: 2018-06-05
    Description: Renewed interest in hypersonic propulsion systems has led to research programs investigating combined cycle engines that are designed to operate efficiently across the flight regime. The Rocket-Based Combined Cycle Engine is a propulsion system under development at the NASA Lewis Research Center. This engine integrates a high specific impulse, low thrust-to-weight, airbreathing engine with a low-impulse, high thrust-to-weight rocket. From takeoff to Mach 2.5, the engine operates as an air-augmented rocket. At Mach 2.5, the engine becomes a dual-mode ramjet; and beyond Mach 8, the rocket is turned back on. One Rocket-Based Combined Cycle Engine variation known as the "Strut-Jet" concept is being investigated jointly by NASA Lewis, the U.S. Air Force, Gencorp Aerojet, General Applied Science Labs (GASL), and Lockheed Martin Corporation. Work thus far has included wind tunnel experiments and computational fluid dynamics (CFD) investigations with the NPARC code. The CFD method was initiated by modeling the geometry of the Strut-Jet with the GRIDGEN structured grid generator. Grids representing a subscale inlet model and the full-scale demonstrator geometry were constructed. These grids modeled one-half of the symmetric inlet flow path, including the precompression plate, diverter, center duct, side duct, and combustor. After the grid generation, full Navier-Stokes flow simulations were conducted with the NPARC Navier-Stokes code. The Chien low-Reynolds-number k-e turbulence model was employed to simulate the high-speed turbulent flow. Finally, the CFD solutions were postprocessed with a Fortran code. This code provided wall static pressure distributions, pitot pressure distributions, mass flow rates, and internal drag. These results were compared with experimental data from a subscale inlet test for code validation; then they were used to help evaluate the demonstrator engine net thrust.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 15
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    Investigations of Arcjet Flow Thermochemistry (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: An experimental and numerical investigation of the thermochemical state of arcjet flows is currently being conducted at NASA Ames Research Center. The experimental approach relies on the use of laser- and emission-spectroscopic diagnostic techniques in three regions of the flow. A fiber optic sensor is used to record spectrally resolved emission signals from the electrode package region, where the flow is most likely to be in thermochemical equilibrium. A second emission diagnostic measurement is made in the shock layer formed over a blunt-body test article placed in the stream, and a CCD camera is used to simultaneously record spectral emission from several measurement locations along the stagnation streamline. Downstream of the nozzle exit, but upstream of the test article, Laser-Induced Fluorescence (LIF) of atomic nitrogen is used to assess the nonequilibrium distribution of flow enthalpy in the free stream. Results from the measurements are compared with predictions from a two-temperature, axisymmetric flow model that solves the nozzle and shock-layer flows.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Interceptor Aerothemochemistry; Sep 24, 1997 - Sep 26, 1997; Huntsville, AL; United States
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  • 16
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    Euler/Navier-Stokes Methods (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: Implicit methods have been the workhorse for the Euler and Navier-Stokes equations for the last 25 years. The ground breaking work of Dr. Joe Steger in implementing such techniques in practical Euler and Navier-Stokes codes provided the basis for all the success in this area. This presentation will highlight his contribution and technical excellence in the area of implicit methods for CFD.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Computational Aerodynamics: Past, Present and Future; Sep 26, 1997 - Sep 27, 1997; Seattle, WA; United States
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  • 17
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    The Use of DNS in Turbulence Modeling (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: The use of Direct numerical simulations (DNS) data in developing and testing turbulence models is reviewed. The data is used to test turbulence models at all levels: algebraic, one-equation, two-equation and full Reynolds stress models were tested. Particular examples on the development of models for the dissipation rate equation are presented. Homogeneous flows are used to test new scaling arguments for the various terms in the dissipation rate equation. The channel flow data is used to develop modifications to the equation model that take into account near-wall effects. DNS of compressible flows under mean compression are used in testing new compressible modifications to the two-equation models.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 8th Computational Fluid Mechanics Symposium; Jul 28, 1997 - Jul 30, 1997; Tokyo; Japan
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  • 18
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    Application of a Chimera Full Potential Algorithm for Solving Aerodynamic Problems (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: A numerical scheme utilizing a chimera zonal grid approach for solving the three dimensional full potential equation is described. Special emphasis is placed on describing the spatial differencing algorithm around the chimera interface. Results from two spatial discretization variations are presented; one using a hybrid first-order/second-order-accurate scheme and the second using a fully second-order-accurate scheme. The presentation is highlighted with a number of transonic wing flow field computations.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Advances in Flow Simulation Techniques; May 03, 1997 - May 04, 1997; Davis, CA; United States
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  • 19
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    Grid Generation Issues and CFD Simulation Accuracy for the X33 Aerothermal Simulations (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: Grid generation issues relating to the simulation of the X33 aerothermal environment using the GASP code are explored. Required grid densities and normal grid stretching are discussed with regards to predicting the fluid dynamic and heating environments with the desired accuracy. The generation of volume grids is explored and includes discussions of structured grid generation packages such as GRIDGEN, GRIDPRO and HYPGEN. Volume grid manipulation techniques for obtaining desired outer boundary and grid clustering using the OUTBOUND code are examined. The generation of the surface grid with the required surface grid with the required surface grid topology is also discussed. Utilizing grids without singular axes is explored as a method of avoiding numerical difficulties at the singular line.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 36th AIAA Aerospace Sciences Meeting and Exhibit; Jan 12, 1998 - Jan 15, 1998; Reno, NV; United States
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  • 20
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    National Combustion Code: A Multidisciplinary Combustor Design System (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: The Internal Fluid Mechanics Division conducts both basic research and technology, and system technology research for aerospace propulsion systems components. The research within the division, which is both computational and experimental, is aimed at improving fundamental understanding of flow physics in inlets, ducts, nozzles, turbomachinery, and combustors. This article and the following three articles highlight some of the work accomplished in 1996. A multidisciplinary combustor design system is critical for optimizing the combustor design process. Such a system should include sophisticated computer-aided design (CAD) tools for geometry creation, advanced mesh generators for creating solid model representations, a common framework for fluid flow and structural analyses, modern postprocessing tools, and parallel processing. The goal of the present effort is to develop some of the enabling technologies and to demonstrate their overall performance in an integrated system called the National Combustion Code.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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  • 21
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    Boundary Layer Receptivity to Three-Dimensional Freestream Disturbances at Two-Dimensional Roughness (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: The receptivity of a laminar boundary layer to an isolated three-dimensional convected disturbance is investigated in a low-speed wind tunnel experiment. The disturbance is created by the short-duration pulsed displacement of a small low-aspect-ratio wing located upstream of a flat plate. The height of the wing is set so that the convected disturbance grazes the edge of the flat-plate boundary layer. A receptivity site is provided by a two-dimensional roughness strip on the surface of the plate. The different propagation speeds of acoustic, convected and instability waves cause the various wave packets from the pulsed displacement to arrive at a downstream measurement station at different times, separating the phenomena and allowing them to be studied independently. Ensemble- averaged measurements are made with and without roughness on the plate. Preliminary analysis of the measurements suggest the presence of a two-dimensional T-S wave packet arising from an interaction between an acoustic wave and the roughness, and a three-dimensional T-S wave packet arising from an interaction between the localized convected disturbance and the roughness strip. The growth rates and spatial characteristics of the disturbances and the instability wave packets are measured as they propagate downstream.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: DFD 1997 Meeting of the American Physical Society; Nov 23, 1997 - Nov 25, 1997; San Francisco, CA; United States
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  • 22
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    Tetrahedral and Hexahedral Mesh Adaptation for CFD Problems (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: This paper presents two unstructured mesh adaptation schemes for problems in computational fluid dynamics. The procedures allow localized grid refinement and coarsening to efficiently capture aerodynamic flow features of interest. The first procedure is for purely tetrahedral grids; unfortunately, repeated anisotropic adaptation may significantly deteriorate the quality of the mesh. Hexahedral elements, on the other hand, can be subdivided anisotropically without mesh quality problems. Furthermore, hexahedral meshes yield more accurate solutions than their tetrahedral counterparts for the same number of edges. Both the tetrahedral and hexahedral mesh adaptation procedures use edge-based data structures that facilitate efficient subdivision by allowing individual edges to be marked for refinement or coarsening. However, for hexahedral adaptation, pyramids, prisms, and tetrahedra are used as buffer elements between refined and unrefined regions to eliminate hanging vertices. Computational results indicate that the hexahedral adaptation procedure is a viable alternative to adaptive tetrahedral schemes.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: NAS-96-007
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  • 23
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    Analysis of Emission Spectra from Arc-jet Shock Layer Flows (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: This paper reports computational comparisons with experimental studies of a nonequilibrium blunt body shock layer in a high enthalpy arc-jet wind tunnel at NASA Ames Research Center. The primary objective of this work is to investigate the existence of a thermochemical equilibrium region in the shock layer. The existence of such an equilibrium region is of interest for following reasons: (1) to understand the equilibration process behind the shock in an arc-jet flow environment; (2) to interpret measured surface heat transfer data for purpose of determining surface catalytic efficiency, and (3) to determine the total enthalpy from the spectroscopic measurements. The paper will present an analysis of the experimental data obtained in the arc-jet wind tunnel. Experimental data includes measurements of emission spectra of radiation emanating from a shock layer formed in front of a 6-inch flat-faced cylinder. The measurements, obtained using a two dimensional CCD camera mounted on a spectrograph, provide spatially resolved spectra along the stagnation streamline of the model. Computational analysis includes simulation of nonequilibrium flow in the arc-jet facility (flow in the conical nozzle and shock layer in front of a flat-faced cylinder) using 2-D/axisymmetric Navier-Stokes codes and prediction of the radiation spectra from the axisymmetric flowfield using NEQAIR radiation code. Various line-of-sight averaged flow properties such as vibrational and rotational temperatures, species number densities within the shock layer are deduced from the experimental spectra. Comparison of the computed and experimental line-of-sight averaged flow properties provides assessment of thermochemical equilibration processes in an arc-jet shock layer.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 21st International Symposium on Shock Waves; Jul 20, 1997 - Jul 25, 1997; Great Keppel Island; Australia
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  • 24
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    The Effect of Metallic TPS Panel Bowing on the Surface Heating of the X-33 Vehicle (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: The thermal protection system of the windward surface of the X-33 vehicle consists of metallic honeycomb sandwich panels. Thermal gradients experienced during the descent phase of the trajectory result in a different rate of thermal expansion between the inner and outer face sheets of the metallic panels. This causes the panels to bow outward when the temperature of the outer face sheet is larger than that of the inner face sheet and inward when the temperature of the outer face sheet is less than that of he inner face sheet. This results in a quilted-type body surface. Using computational fluid dynamic analysis, this study will determine the effect the metallic TPS panel bowing has on the surface heating.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 36th AIAA Aerospace Sciences Meeting and Exhibit; Jan 12, 1997 - Jan 15, 1997; Reno, NV; United States
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    On the Use of Vortex-Fitting in the Numerical Simulation of Blade-Vortex Interaction (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: The usefulness of vortex-fitting in the computational fluid dynamics (CFD) methods to preserve the vortex strength and structure while convecting in a uniform free stream is demonstrated through the numerical simulations of two- and three-dimensional blade-vortex interactions. The fundamental premise of the formulation is the velocity and pressure field of the interacting vortex are unaltered either in the presence of an airfoil or a rotor blade or by the resulting nonlinear interactional flowfield. Although, the governing Euler and Navier-Stokes equations are nonlinear and independent solutions cannot be superposed, the interactional flowfield can be accurately captured by adding and subtracting the flowfield of the convecting vortex at each instant. The aerodynamics and aeroacoustics of two- and three-dimensional blade-vortex interactions have been calculated in Refs. 1-6 using this concept. Some of the results from these publications and similar other published material will be summarized in this paper.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 26
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    Simulation of Rotary-Wing Near-Wake Vortex Structures Using Navier-Stokes CFD Methods (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: This paper will use high-resolution Navier-Stokes computational fluid dynamics (CFD) simulations to model the near-wake vortex roll-up behind rotor blades. The locations and strengths of the trailing vortices will be determined from newly-developed visualization and analysis software tools applied to the CFD solutions. Computational results for rotor nearwake vortices will be used to study the near-wake vortex roll up for highly-twisted tiltrotor blades. These rotor blades typically have combinations of positive and negative spanwise loading and complex vortex wake interactions. Results of the computational studies will be compared to vortex-lattice wake models that are frequently used in rotorcraft comprehensive codes. Information from these comparisons will be used to improve the rotor wake models in the Tilt-Rotor Acoustic Code (TRAC) portion of NASA's Short Haul Civil Transport program (SHCT). Accurate modeling of the rotor wake is an important part of this program and crucial to the successful design of future civil tiltrotor aircraft. The rotor wake system plays an important role in blade-vortex interaction noise, a major problem for all rotorcraft including tiltrotors.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AHS 54th Annual Forum and Technology; May 20, 1998 - May 22, 1998; Washington, DC; United States
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  • 27
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    On the Numerical Prediction of Flow Transition (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: Knowledge from dynamical systems theory is used to study numerical uncertainties in direct numerical simulation of transition from laminar to turbulent flows. Spurious behavior due to underresolved grids and temporal discretizations is illustrated with 2-D CFD simulations.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 10th International Conference on Finite Elements in Fluids; Jan 05, 1998 - Jan 08, 1998; Tucson, AZ; United States
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  • 28
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    A Multi-Level Parallelization Concept for High-Fidelity Multi-Block Solvers (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: The integration of high-fidelity Computational Fluid Dynamics (CFD) analysis tools with the industrial design process benefits greatly from the robust implementations that are transportable across a wide range of computer architectures. In the present work, a hybrid domain-decomposition and parallelization concept was developed and implemented into the widely-used NASA multi-block Computational Fluid Dynamics (CFD) packages implemented in ENSAERO and OVERFLOW. The new parallel solver concept, PENS (Parallel Euler Navier-Stokes Solver), employs both fine and coarse granularity in data partitioning as well as data coalescing to obtain the desired load-balance characteristics on the available computer platforms. This multi-level parallelism implementation itself introduces no changes to the numerical results, hence the original fidelity of the packages are identically preserved. The present implementation uses the Message Passing Interface (MPI) library for interprocessor message passing and memory accessing. By choosing an appropriate combination of the available partitioning and coalescing capabilities only during the execution stage, the PENS solver becomes adaptable to different computer architectures from shared-memory to distributed-memory platforms with varying degrees of parallelism. The PENS implementation on the IBM SP2 distributed memory environment at the NASA Ames Research Center obtains 85 percent scalable parallel performance using fine-grain partitioning of single-block CFD domains using up to 128 wide computational nodes. Multi-block CFD simulations of complete aircraft simulations achieve 75 percent perfect load-balanced executions using data coalescing and the two levels of parallelism. SGI PowerChallenge, SGI Origin 2000, and a cluster of workstations are the other platforms where the robustness of the implementation is tested. The performance behavior on the other computer platforms with a variety of realistic problems will be included as this on-going study progresses.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: High Performance Networking and Computing Conference; Nov 15, 1997 - Nov 21, 1997; San Jose, CA; United States
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    Flow Quality and Boundary Layer Transition (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: The widely held view is that transition to turbulence in the Blasius boundary layer occurs via amplification and eventual nonlinear breakdown of initially small amplitude instabilities i.e. Tollmien-Schlichting (TS) waves. However this scenario is only observed for low amplitude free-stream turbulence levels, i.e. u/U 〈 0.1%. Bypass of linear TS instability mechanism occurs for higher EST levels, yet considerable differences exist between the few experiments carefully designed to assess the effect of EST on transition. The consensus is that EST leads to longitudinal streaks that form near the leading edge in the boundary layer . These streaks appeal to be regions of concentrated streamwise vorticity and they are often referred to as Klebanoff modes. The importance of mean flow free-stream nonuniformity (FSN) is not as widely appreciated as EST for characterizing wind tunnel flow quality. Here it is shown that, although the v like generated by a d=50micron wire located upstream of the contraction (Re(sub d)=6.6, x/d=45,000) is immeasurably small by the time it interacts with the leading edge in the test section, it is responsible for generation of a pair of weak streamwise vortices in the boundary layer downstream. The characteristics of these wake-induced vortices and their effect on TS waves are demonstrated. Small remnant FSN variations are also shown to exist downstream of a turbulence grid. The question arises Are the adverse effects introduced by the turbulence grid caused by FST or by small remnant FSN variations?
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 50th Annual Meeting Division of Fluid Dynamics, American Physical Society; Nov 23, 1997 - Nov 25, 1997; San Francisco, CA; United States
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    Incompressible Navier-Stokes Computations in Aerospace and Beyond (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: Challenges in applying CFD to real world problems will be discussed using incompressible flow examples. Despite the remarkable progress made in CFD technology during the past two decades, new challenges are ahead of us. Some of these will be discussed in conjunction with the incompressible Navier-Stokes solver development and their applications. Computed examples include wing tip vortex formation and propagation, flow simulation of an advanced rocket pump, and an extension of the similar technology to biofluid analysis and design. Numerical issues dealing with these applications will be discussed both from algorithm development and from application point of view. The material will be printed in a bound volume after the symposium.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Computing the Future II: Computational Fluid Dynamics and Transonic Flow; Jun 24, 1997 - Jun 26, 1997; Everett, WA; United States
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    Incompressible Navier-Stokes Computations for the Development of a Ventricular Assist Device (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: An incompressible flow analysis code, INS3D, has been applied to the development of a mechanical heart assist device. The solution method is based on the artificial compressibility approach and uses an implicit-upwind differencing scheme together with a Gauss-Seidel line relaxation method. The equations are solved in steadily rotating reference frames and the centrifugal and the Coriolis force terms are included as source terms. The resulting computational procedure is validated for liquid rocket engine analysis and applied subsequently to analyze a Ventricular Assist Device (VAD). A new design configuration is developed which includes an inducer upstream of the impeller main blades, and substantial improvement is observed in the performance of the VAD.
    Keywords: Fluid Mechanics and Thermodynamics
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  • 32
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    Application of Laser Scanning Confocal Microscopy to Heat and Mass Transport Modeling in Porous Microstructures (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: Laser Scanning Confocal Microscopy (LSCM) has been used to obtain digital images of the complicated 3-D (three-dimensional) microstructures of rigid, fibrous thermal protection system (TPS) materials. These orthotropic materials are comprised of refractory ceramic fibers with diameters in the range of 1 to 10 microns and have open porosities of 0.8 or more. Algorithms are being constructed to extract quantitative microstructural information from the digital data so that it may be applied to specific heat and mass transport modeling efforts; such information includes, for example, the solid and pore volume fractions, the internal surface area per volume, fiber diameter distributions, and fiber orientation distributions. This type of information is difficult to obtain in general, yet it is directly relevant to many computational efforts which seek to model macroscopic thermophysical phenomena in terms of microscopic mechanisms or interactions. Two such computational efforts for fibrous TPS materials are: i) the calculation of radiative transport properties; ii) the modeling of gas permeabilities.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Tech. Workshop for Thermophysics, Phenomena in Microscale Sensors, Devices, and Structures; Aug 09, 1997; Baltimore, MD; United States
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    Direct Numerical Simulation of Supersonic Turbulent Boundary Layers (1997)
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    Publication Date: 2019-07-18
    Description: The talk will present some initial results from the direct numerical simulation (DNS) of compressible turbulent boundary layers. We solve numerically the compressible Navier-Stokes equations using a method based on Spalart's transformation for the incompressible turbulent boundary layer. This allows the spatially developing boundary layer to be transformed to a calculation with periodic boundary conditions in the streamwise and spanwise directions. The equations are solved using Fourier expansions in the horizontal directions and B-splines in the wall-normal direction. The first simulation is at Mach 2.5 with a momentum thickness Reynolds number based on wall viscosity of R(sub theta(sup 1)) = 825. We are examining the physics of the compressible boundary layer using turbulence statistics and budget equations. The turbulence statistics include: rms (root mean square) and mean profiles, energy spectra, and two-point correlations. It is found that there are large density gradients which require significantly more resolution than the incompressible case.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 50th Annual Meeting of the American Physical Society; Nov 23, 1997 - Nov 25, 1997; San Francisco, CA; United States
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  • 34
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    Discretization and Preconditioning Algorithms for the Euler and Navier-Stokes Equations on Unstructured Meshes (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: Several stabilized discretization procedures for conservation law equations on triangulated domains will be considered. Specifically, numerical schemes based on upwind finite volume, fluctuation splitting, Galerkin least-squares, and space discontinuous Galerkin discretization will be considered in detail. A standard energy analysis for several of these methods will be given via entropy symmetrization. Next, we will present some relatively new theoretical results concerning congruence relationships for left or right symmetrized equations. These results suggest new variants of existing FV, DG, GLS and FS methods which are computationally more efficient while retaining the pleasant theoretical properties achieved by entropy symmetrization. In addition, the task of Jacobian linearization of these schemes for use in Newton's method is greatly simplified owing to exploitation of exact symmetries which exist in the system. These variants have been implemented in the "ELF" library for which example calculations will be shown. The FV, FS and DG schemes also permit discrete maximum principle analysis and enforcement which greatly adds to the robustness of the methods. Some prevalent limiting strategies will be reviewed. Next, we consider embedding these nonlinear space discretizations into exact and inexact Newton solvers which are preconditioned using a nonoverlapping (Schur complement) domain decomposition technique. Elements of nonoverlapping domain decomposition for elliptic problems will be reviewed followed by the present extension to hyperbolic and elliptic-hyperbolic problems. Other issues of practical relevance such the meshing of geometries, code implementation, turbulence modeling, global convergence, etc. will be addressed as needed.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Oct 27, 1997 - Oct 28, 1997; Saint Genese; Belgium|Jan 01, 1997; France|Oct 20, 1997 - Oct 24, 1997; Freiburg; Germany
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    An Analytical Comparison of the Acoustic Analogy and Kirchhoff Formulation for Moving Surfaces (1997)
    In:  CASI
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    Publication Date: 2019-07-13
    Description: The Lighthill acoustic analogy, as embodied in the Ffowcs Williams-Hawkings (FW-H) equation, is compared with the Kirchhoff formulation for moving surfaces. A comparison of the two governing equations reveals that the main Kirchhoff advantage (namely nonlinear flow effects are included in the surface integration) is also available to the FW-H method if the integration surface used in the FW-H equation is not assumed impenetrable. The FW-H equation is analytically superior for aeroacoustics because it is based upon the conservation laws of fluid mechanics rather than the wave equation. This means that the FW-H equation is valid even if the integration surface is in the nonlinear region. This is demonstrated numerically in the paper. The Kirchhoff approach can lead to substantial errors if the integration surface is not positioned in the linear region. These errors may be hard to identify. Finally, new metrics based on the Sobolev norm are introduced which may be used to compare input data for both quadrupole noise calculations and Kirchhoff noise predictions.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: American Helicopter Society 53rd Annual Forum; Apr 29, 1997 - May 01, 1997; Virginia Beach, VA; United States
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    Complex Volume Grid Generation Through the Use of Grid Reusability (1997)
    In:  CASI
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    Publication Date: 2019-07-13
    Description: This paper presents a set of surface and volume grid generation techniques which reuse existing surface and volume grids. These methods use combinations of data manipulations to reduce grid generation time, improve grid characteristics, and increase the capabilities of existing domain discretization software. The manipulation techniques utilize physical and computational domains to produce basis function on which to operate and modify grid character and smooth grids using Trans-Finite Interpolation, a vector interpolation method and parametric re-mapping technique. With these new techniques, inviscid grids can be converted to viscous grids, multiple zone grid adaption can be performed to improve CFD solver efficiency, and topological changes to improve modeling of flow fields can be done simply and quickly. Examples of these capabilities are illustrated as applied to various configurations.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-1987 , 13th AIAA Computational Fluid Dynamics Conference; Jun 29, 1997 - Jul 02, 1997; Snowmass, CO; United States
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    Transition and Turbulence Modeling for Blunt-Body Wake Flows (1997)
    In:  CASI
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    Publication Date: 2019-07-13
    Description: This study attempts t o improve the modeling and computational prediction of high- speed transitional wake flows. The recently developed kappa - zeta (Enstrophy) turbulence model is coupled with a newly developed transition prediction method and implemented in an implicit flow solver well-suited to hypersonic flows. In this model, transition onset is determined as part of the solution. Results obtained using the new model for a 70- deg blunted cone/sting geometry demonstrate better agreement with experimental heat- transfer measurements when compared to laminar calculations as well as solutions using the kappa - omega model. Results are also presented for the situation where transition onset is preselected. It is shown that, in this case, results are quite sensitive to location of the transition point.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-2570 , 32nd AIAA Thermophysics Conference; Jun 23, 1997 - Jun 25, 1997; Atlanta, GA; United States
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    Computation of Thermally Perfect Oblique Shock Wave Properties (1997)
    In:  CASI
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    Publication Date: 2019-07-13
    Description: A set of compressible flow relations describing flow properties across oblique shock waves, derived for a thermally perfect, calorically imperfect gas, is applied within the existing thermally perfect gas (TPG) computer code. The relations are based upon the specific heat expressed as a polynomial function of temperature. The updated code produces tables of compressible flow properties of oblique shock waves, as well as the original properties of normal shock waves and basic isentropic flow, in a format similar to the tables for normal shock waves found in NACA Rep. 1135. The code results are validated in both the calorically perfect and the calorically imperfect, thermally perfect temperature regimes through comparisons with the theoretical methods of NACA Rep. 1135. The advantages of the TPG code for oblique shock wave calculations, as well as for the properties of isentropic flow and normal shock waves, are its ease of use and its applicability to any type of gas (monatomic, diatomic, triatomic, polyatomic, or any specified mixture thereof).
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-0868 , 35th Aerospace Sciences Meeting and Exhibit; Jan 06, 1997 - Jan 10, 1997; Reno, NV; United States
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    Experimental and Computational Studies of the Flow Over a Sting Mounted Planetary Probe Configuration (1997)
    In:  CASI
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    Publication Date: 2019-07-13
    Description: This paper summarizes the results of a series of experimental studies in the LENS shock tunnel and computations with DSMC and Navier Stokes codes which have been made to examine the aerothermal and flowfield characteristics of the flow over a sting-supported planetary probe configuration in hypervelocity air and nitrogen flows. The experimental program was conducted in the LENS hypervelocity shock tunnel at total enthalpies of 5and 10 MJkg for a range of reservoir pressure conditions from 70 to 500 bars. Heat transfer and pressure measurements were made on the front and rear face of the probe and along the supporting sting. High-speed and single shot schlieren photography were also employed to examine the flow over the model and the time to establish the flow in the base recirculation region. Predictions of the flowfield characteristics and the distributions of heat transfer and pressure were made with DSMC codes for rarefied flow conditions and with the Navier-Stokes solvers for the higher pressure conditions where the flows were assumed to be laminar. Analysis of the time history records from the heat transfer and pressure instrumentation on the face of the probe and in the base region indicated that the base flow was fully established in under 4 milliseconds from flow initiation or between 35 and 50 flow lengths based on base height. The measurements made in three different tunnel entries with two models of identical geometries but with different instrumentation packages, one prepared by NASA Langley and the second prepared by CUBRC, demonstrated good agreement between heat transfer measurements made with two different types of thin film and coaxial gage instrumentation. The measurements of heat transfer and pressure to the front face of the probe were in good agreement with theoretical predictions from both the DSMC and Navier Stokes codes. For the measurements made in low density flows, computations with the DSMC code were found to compare well with the pressure and heat transfer measurements on the sting, although the computed heat transfer rates in the recirculation region did not exhibit the same characteristics as the measurements. For the 10MJkg and 500 bar reservoir match point condition, the measurements and heat transfer along the sting from the first group of studies were in agreement with the Navier Stokes solutions for laminar conditions. A similar set of measurements made in later tests where the model was moved to a slightly different position in the test section indicated that the boundary layer in the reattachment compression region was close to transition or transitional where small changes in the test environment can result in larger than laminar heating rates. The maximum heating coefficients on the sting observed in the present studies was a small fraction of similar measurements obtained at nominally the same conditions in the HEG shock tunnel, where it is possible for transition to occur in the base flow, and in the low enthalpy studies conducted in the NASA Langley high Reynolds number Mach 10 tunnel where the base flow was shown to be turbulent. While the hybrid Navier- StokedDMSC calculations by Gochberg et al. (Reference 1) suggested that employing the Navier- Stokes calculations for the entire flowfield could be seriously in error in the base region for the 10 MJkg, 500 bar test case, similar calculations performed by Cornell, presented here, do not.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-0768 , 35th Aerospace Sciences Meeting and Exhibit; Jan 06, 1997 - Jan 10, 1997; Reno, NV; United States
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    Optimal Configuration of an Array of Tabs for Mixing Enhancement in a Shear Layer (1997)
    In:  Other Sources
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    Publication Date: 2019-07-13
    Description: The large and small scale vortical motions produced by delta tabs in a two-stream shear layer have been studied experimentally. The tabs were placed at the trailing edge of a splitter plate, mounted in the test section of a wind tunnel, that produced the shear layer. Hot-wire measurements detailed the velocity, vorticity and small scale population distributions in the 3-D space behind the tabs. Small scale structures, which represent the peak in the dissipation spectrum, were identified and counted using the Peak-Valley-Counting technique. The optimal tab inclination angle, theta, and the optimal spanwise spacing, S, for a multiple tab array were identified. The optimal condition was that which maximized the small scale population and generated the strongest streamwise vorticity. Increasing the tab pitch angle from flush to normal to the splitter plate increased the streamwise vorticity as well as the overall small scale population. In fact, the increase in the overall small scale population correlated strongly with the increase in streamwise vorticity intensity. The optimal conditions for peak streamwise vorticity and peak small scale population, with minimum area blockage, were determined to be theta = 45deg and S = 1.5 tab widths.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-0301 , Aerospace Sciences; Jan 06, 1997 - Jan 10, 1997; Reno, NV; United States
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    Flutter Boundary Identification From Simulation Time Histories (1997)
    In:  CASI
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    Publication Date: 2019-07-12
    Description: While there has been much recent progress in simulating nonlinear aeroelastic systems, and in predicting many of the aeroelastic phenomena of concern in transport aircraft design (i.e. transonic flutter buckets), the utility of a simulation in generating an understanding of the flutter behavior is limited. This is due in part to the high cost of generating these simulations; and the implied limitation on the number of conditions that can be analyzed, but there are also some difficulties introduced by the very nature of a simulation. Flutter engineers have traditionally worked in the frequency domain, and are accustomed to describing the flutter behavior of an airplane in terms of its V-G and V-F (or Q-G and Q-F) plots and flutter mode shapes. While the V-G and V-F plots give information about how the dynamic response of an airplane changes as the airspeed is increased, the simulation only gives information about one isolated condition (Mach, airspeed, altitude, etc.). Therefore, where a traditional flutter analysis can let the engineer determine an airspeed at which an airplane becomes unstable, while a simulation only serves as a binary check: either the airplane is fluttering at this condition, or it is not. In this document, a new technique is described in which system identification is used to easily extract modal frequencies and damping ratios from simulation time histories, and shows how the identified parameters can be used to determine the variation in frequency and dampin,o ratio as the airspeed is changed. This technique not only provides the flutter engineer with added insight into the aeroelastic behavior of the airplane, but it allows calculation of flutter mode shapes, and allows estimation of flutter boundaries while minimizing the number of simulations required.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: CRAD-9408-TR-3931 , NF1676L-13586
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    Adventures with Implicit Methods (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: In this lecture we trace the historical developments of alternating direction implicit methods. In particular, we emphasize contributions originating in the Computational Fluid Dynamics Branch at Ames Research Center in the 1970's and early 1980's. Joe Steger played a seminal role in demonstrating the practicality of using an efficient, vectorized, implicit code for solving the compressible Navier-Stokes equations. Numerous discussions with Joe had a significant impact on our own research and it is a pleasure to dedicate this lecture to honor his memory.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Advances in Flows Simulation Techniques Conference; May 02, 1997 - May 04, 1997; Davis, CA; United States
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    Progress in Parallel Schur Complement Preconditioning for Computational Fluid Dynamics (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: We consider preconditioning methods for nonself-adjoint advective-diffusive systems based on a non-overlapping Schur complement procedure for arbitrary triangulated domains. The ultimate goal of this research is to develop scalable preconditioning algorithms for fluid flow discretizations on parallel computing architectures. In our implementation of the Schur complement preconditioning technique, the triangulation is first partitioned into a number of subdomains using the METIS multi-level k-way partitioning code. This partitioning induces a natural 2X2 partitioning of the p.d.e. discretization matrix. By considering various inverse approximations of the 2X2 system, we have developed a family of robust preconditioning techniques. A computer code based on these ideas has been developed and tested on the IBM SP2 and the SGI Power Challenge array using MPI message passing protocol. A number of example CFD calculations will be presented to illustrate and assess various Schur complement approximations.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 1997 SIAM Annual Meeting; Jul 14, 1997 - Jul 18, 1997; Stanford, CA; United States
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    Some Experiences with High Order Discretization Schemes for Compressible Fluid Flow (1997)
    In:  Other Sources
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    Publication Date: 2019-07-18
    Description: It is widely recognized that the structure and complexity of compressible fluid flow places high demands on numerical discretization techniques for the fluid flow equations. Fluid flows arising in external aerodynamics often contain both flow field discontinuities and fluid boundary-layers. Both must be accurately resolved to provide useful information to aerodynamic design and analysis engineers. These accuracy requirements motivated the present author to examine a class of finite-volume techniques on arbitrary triangulated domains based on linear or quadratic reconstruction of integral-averaged data followed by upwind flux function evaluation and small time evolution. More recently, we have considered some new upwind techniques which yield compact discretizations while maintaining higher order accuracy. In the mini-symposium talk we will discuss both of these techniques as well as demonstrate the relative merits of each method by computing a number of aerodynamic flows containing shock waves and boundary-layers.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 1997 SIAM Annual Meeting; Jul 14, 1997 - Jul 18, 1997; Stanford, CA; United States
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    By Hand or Not By-Hand: A Case Study of Alternative Approaches to Parallelize CFD Applications (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-18
    Description: While parallel processing promises to speed up applications by several orders of magnitude, the performance achieved still depends upon several factors, including the multiprocessor architecture, system software, data distribution and alignment, as well as the methods used for partitioning the application and mapping its components onto the architecture. The existence of the Gorden Bell Prize given out at Supercomputing every year suggests that while good performance can be attained for real applications on general purpose multiprocessors, the large investment in man-power and time still has to be repeated for each application-machine combination. As applications and machine architectures become more complex, the cost and time-delays for obtaining performance by hand will become prohibitive. Computer users today can turn to three possible avenues for help: parallel libraries, parallel languages and compilers, interactive parallelization tools. The success of these methodologies, in turn, depends on proper application of data dependency analysis, program structure recognition and transformation, performance prediction as well as exploitation of user supplied knowledge. NASA has been developing multidisciplinary applications on highly parallel architectures under the High Performance Computing and Communications Program. Over the past six years, the transition of underlying hardware and system software have forced the scientists to spend a large effort to migrate and recede their applications. Various attempts to exploit software tools to automate the parallelization process have not produced favorable results. In this paper, we report our most recent experience with CAPTOOL, a package developed at Greenwich University. We have chosen CAPTOOL for three reasons: 1. CAPTOOL accepts a FORTRAN 77 program as input. This suggests its potential applicability to a large collection of legacy codes currently in use. 2. CAPTOOL employs domain decomposition to obtain parallelism. Although the fact that not all kinds of parallelism are handled may seem unappealing, many NASA applications in computational aerosciences as well as earth and space sciences are amenable to domain decomposition. 3. CAPTOOL generates code for a large variety of environments employed across NASA centers: MPI/PVM on network of workstations to the IBS/SP2 and CRAY/T3D.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: International Conference on Parallel and Distributed Processing Techniques and Applications (PDPTA''97); Jun 30, 1997 - Jul 02, 1997; Las Vegas, NV; United States
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    Direct Simulations of Transition and Turbulence Using High-Order Accurate Finite-Difference Schemes (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-18
    Description: In recent years the techniques of computational fluid dynamics (CFD) have been used to compute flows associated with geometrically complex configurations. However, success in terms of accuracy and reliability has been limited to cases where the effects of turbulence and transition could be modeled in a straightforward manner. Even in simple flows, the accurate computation of skin friction and heat transfer using existing turbulence models has proved to be a difficult task, one that has required extensive fine-tuning of the turbulence models used. In more complex flows (for example, in turbomachinery flows in which vortices and wakes impinge on airfoil surfaces causing periodic transitions from laminar to turbulent flow) the development of a model that accounts for all scales of turbulence and predicts the onset of transition may prove to be impractical. Fortunately, current trends in computing suggest that it may be possible to perform direct simulations of turbulence and transition at moderate Reynolds numbers in some complex cases in the near future. This seminar will focus on direct simulations of transition and turbulence using high-order accurate finite-difference methods. The advantage of the finite-difference approach over spectral methods is that complex geometries can be treated in a straightforward manner. Additionally, finite-difference techniques are the prevailing methods in existing application codes. In this seminar high-order-accurate finite-difference methods for the compressible and incompressible formulations of the unsteady Navier-Stokes equations and their applications to direct simulations of turbulence and transition will be presented.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Mar 21, 1997; State College, PA; United States
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    UFLIC: A Line Integral Convolution Algorithm for Visualizing Unsteady Flows (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-18
    Description: This paper presents an algorithm, UFLIC (Unsteady Flow LIC), to visualize vector data in unsteady flow fields. Using the Line Integral Convolution (LIC) as the underlying method, a new convolution algorithm is proposed that can effectively trace the flow's global features over time. The new algorithm consists of a time-accurate value depositing scheme and a successive feed-forward method. The value depositing scheme accurately models the flow advection, and the successive feed-forward method maintains the coherence between animation frames. Our new algorithm can produce time-accurate, highly coherent flow animations to highlight global features in unsteady flow fields. CFD scientists, for the first time, are able to visualize unsteady surface flows using our algorithm.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: IEEE Visualization ''97 Conference; Oct 19, 1997 - Oct 24, 1997; Phoenix, AZ; United States
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    New Challenges in Visualization of Computational Fluid Dynamics (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-18
    Description: The development of visualization systems for analyzing computational fluid dynamics data has been driven by increasing size and complexity of the data. New extensions to the system domain into analysis of data from multiple sources, parameter space studies, and multidisciplinary studies in support of integrated aeronautical design systems provide new g challenges for the visualization system developer. Recent work at NASA Ames Research Center in visualization systems, automatic flow feature detection, unsteady flow visualization techniques, and a new area, data exploitation, will be discussed in the context of NASA information technology initiatives.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Center for Computational Image Analysis Coloquium Series; Apr 24, 1997; West Lafayette, IN; United States
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    Structure of the Compressible Reacting Mixing Layer: A Linear Stability Analysis (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-18
    Description: Previous investigations have demonstrated that a mixing layer in compressible reacting conditions can develop two instability modes in addition to the more common central mode, which exists unaccompanied in incompressible non-reacting flows. These 'outer' modes were shown in the investigations of Planche and Reynolds to have a detrimental effect on mixing and combustion efficiency and therefore their presence has important consequences for applications of supersonic combustion. Results from a parametric study of the compressible reacting mixing layer's regime space using a linear stability technique will be discussed. The purpose is to develop a more complete understanding behind the effects of compressibility, heat release and the density, equivalence and velocity ratios on the amplification rate and structure of each instability mode.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA 35th Aerospace Sciences Meeting; Jan 06, 1997 - Jan 09, 1997; Reno, NV; United States
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    Arcjet Flow Properties Determined from Laser-Induced Fluorescence of Atomic Species (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-19
    Description: Flow property measurements that were recently acquired in the Ames Research Center Aerodynamic Heating Facility (AHF) arc jet using two-photon Laser-Induced Fluorescence (LIF) of atomic nitrogen and oxygen are reported. The measured properties, which include velocity, translational temperature, and species concentration, cover a wide range of facility operation for the 30 cm nozzle. During the tests, the arc jet pressure and input stream composition were maintained at fixed values and the arc current was varied to vary the flow enthalpy. As part of this ongoing effort, a measurement of the two-photon absorption coefficient for the 3p4D〈-2p4S transition of atomic nitrogen was performed, and the measured value is used to convert the relative concentration measurements to absolute values. A flow reactor is used to provide a known temperature line shape profile to deconvolve the laser line width contribution to the translational temperature measurements. Results from the current experiments are compared with previous results obtained using NO-Beta line profiles at room temperature and the problem of multimode laser oscillation and its impact on the two-photon excitation line shape are discussed. One figure is attached, and this figure shows relative N atom concentration measurements as a function of the arc power. Other measurements have already been acquired and analyzed. This poster represents an application of laser-spectroscopic measurements in an important test facility. The arc jet flow facilities are heavily used in thermal protection material development and evaluation. All hypersonic flight and planetary atmospheric entry vehicles will use materials tested in these arc jet facilities.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Gordon Research Conference on the Physics and Chemistry of Laser Diagnostics in Combustion; Jul 06, 1997 - Jul 11, 1997; Plymouth, NH; United States
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    Direct Numerical Simulations of Boundary Layer Transition on a Flat Plate (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-19
    Description: In recent years the techniques of computational fluid dynamics (CFD) have been used to compute flows associated with geometrically complex configurations. However, success in terms of accuracy and reliability has been limited to cases where the effects of turbulence and transition could be modeled in a straightforward manner. Even in simple flows, the accurate computation of skin friction and heat transfer using existing turbulence models has proved to be a difficult task, one that has required extensive fine-tuning of the turbulence models used. In more complex flows (for example, in turbomachinery flows in which vortices and wakes impinge on airfoil surfaces causing periodic transitions from laminar to turbulent flow) the development of a model that accounts for all scales of turbulence and predicts the onset of transition is an extremely difficult task. Fortunately, current trends in computing suggest that it may be possible to perform direct simulations of turbulence and transition at moderate Reynolds numbers in some complex cases in the near future. This presentation will focus on direct simulations of transition and turbulence using high-order accurate finite-difference methods. The advantage of the finite-difference approach over spectral methods is that complex geometries can be treated in a straightforward manner. Additionally, finite-difference techniques are the prevailing methods in existing application codes. An application of accurate finite-difference methods to direct simulations of transition and turbulence in a spatially evolving boundary layer subjected to high levels of freestream turbulence will be presented.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Workshop on Boundary Layer Transition; Sep 07, 1997 - Sep 10, 1997; Syracuse, NY; United States
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    Pool Boiling Experiment Has Five Successful Flights (1997)
    In:  CASI
    Details
    Publication Date: 2019-08-17
    Description: The Pool Boiling Experiment (PBE) is designed to improve understanding of the fundamental mechanisms that constitute nucleate pool boiling. Nucleate pool boiling is a process wherein a stagnant pool of liquid is in contact with a surface that can supply heat to the liquid. If the liquid absorbs enough heat, a vapor bubble can be formed. This process occurs when a pot of water boils. On Earth, gravity tends to remove the vapor bubble from the heating surface because it is dominated by buoyant convection. In the orbiting space shuttle, however, buoyant convection has much less of an effect because the forces of gravity are very small. The Pool Boiling Experiment was initiated to provide insight into this nucleate boiling process, which has many earthbound applications in steamgeneration power plants, petroleum plants, and other chemical plants. In addition, by using the test fluid R-113, the Pool Boiling Experiment can provide some basic understanding of the boiling behavior of cryogenic fluids without the large cost of an experiment using an actual cryogen.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technolgy 1996; NASA-TM-107350
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    Numerical Simulations Using the Immersed Boundary Technique (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-10
    Description: The immersed-boundary method can be used to simulate flows around complex geometries within a Cartesian grid. This method has been used quite extensively in low Reynolds-number flows, and is now being applied to turbulent flows more frequently. The technique will be discussed, and three applications of the method will be presented, with increasing complexity. to illustrate the potential and limitations of the method, and some of the directions for future work.
    Keywords: Fluid Mechanics and Thermodynamics
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    Improved Boundary Conditions for Cell-centered Difference Schemes (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-10
    Description: Cell-centered finite-volume (CCFV) schemes have certain attractive properties for the solution of the equations governing compressible fluid flow. Among others, they provide a natural vehicle for specifying flux conditions at the boundaries of the physical domain. Unfortunately, they lead to slow convergence for numerical programs utilizing them. In this report a method for investigating and improving the convergence of CCFV schemes is presented, which focuses on the effect of the numerical boundary conditions. The key to the method is the computation of the spectral radius of the iteration matrix of the entire demoralized system of equations, not just of the interior point scheme or the boundary conditions.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: NAS-97-011
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    Combined Numerical/Analytical Perturbation Solutions of the Navier-Stokes Equations for Aerodynamic (Ejector Nozzle) Flows (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-11
    Description: In spite of the rapid advances in both scalar and parallel computational tools, the large number and breadth of variables involved in aerodynamic systems make the use of parabolized or even boundary layer fluid flow models impractical for both preliminary design and inverse design problems. Given this restriction, we have concluded that reduced or approximate models are an important family of tools for design purposes. This study of a combined perturbation/numerical modeling methodology with an application to ejector-mixer nozzles (shown schematically in the following figure) is nearing completion. The work is being funded by a grant from the NASA Lewis Research Center to Texas A&M University. These ejector-mixer nozzle models are designed to be of use to the High Speed Civil Transport Program and may be adopted by both NASA and industry. A computer code incorporating the ejector-mixer models is under development. This code, the Differential Reduced Ejector/Mixer Analysis (DREA), can be run fast enough to be used as a subroutine or to be called by a design optimization routine. Simplified conservation equations--x-momentum, energy, and mass conservation--are used to define the model. Unlike other preliminary design models, DREA requires minimal empirical input and includes vortical mixing and a fully compressible formulation among other features. DREA is being validated by comparing it with results obtained from open literature and proprietary industry data. Preliminary results for a subsonic ejector and a supersonic ejector are shown. In addition, dedicated experiments have been performed at Texas A&M. These experiments use a hydraulic/gas flow analog to provide information about the inviscid mixing interface structure. Final validation and documentation of this work is expected by May of 1997. However, preliminary versions of DREA can be expected in early 1997. In summary, DREA provides a sufficiently detailed and realistic ejector-mixer nozzle model at a computational cost compatible with preliminary design applications.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: Research and Technology 1996; NASA-TM-107350
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    Active Control of Instabilities in Laminar Boundary Layers-Overview and Concept Validation (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-10
    Description: This paper (the first in a series) focuses on using active-control methods to maintain laminar flow in a region of the flow in which the natural instabilities, if left unattended, lead to turbulent flow. The authors review previous studies that examine wave cancellation (currently the most prominent method) and solve the unsteady, nonlinear Navier-Stokes equations to evaluate this method of controlling instabilities. It is definitively shown that instabilities are controlled by the linear summation of waves (i.e., wave cancellation). Although a mathematically complete method for controlling arbitrary instabilities has been developed, the review, duplication, and physical explanation of previous studies are important steps for providing an independent verification of those studies, for establishing a framework for the work which will involve automated transition control, and for detailing the phenomena by-which the automated studies can be used to expand knowledge of flow control.
    Keywords: Fluid Mechanics and Thermodynamics
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    Implicit/Multigrid Algorithms for Incompressible Turbulent Flows on Unstructured Grids (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-10
    Description: An implicit code for computing inviscid and viscous incompressible flows on unstructured grids is described. The foundation of the code is a backward Euler time discretization for which the linear system is approximately solved at each time step with either a point implicit method or a preconditioned Generalized Minimal Residual (GMRES) technique. For the GMRES calculations, several techniques are investigated for forming the matrix-vector product. Convergence acceleration is achieved through a multigrid scheme that uses non-nested coarse grids that are generated using a technique described in the present paper. Convergence characteristics are investigated and results are compared with an exact solution for the inviscid flow over a four-element airfoil. Viscous results, which are compared with experimental data, include the turbulent flow over a NACA 4412 airfoil, a three-element airfoil for which Mach number effects are investigated, and three-dimensional flow over a wing with a partial-span flap.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 95-1740
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    DSMC Simulations of Blunt Body Flows for Mars Entries: Mars Pathfinder and Mars Microprobe Capsules (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-10
    Description: The hypersonic transitional flow aerodynamics of the Mars Pathfinder and Mars Microprobe capsules are simulated with the direct simulation Monte Carlo method. Calculations of axial, normal, and static pitching coefficients were obtained over an angle of attack range comparable to actual flight requirements. Comparisons are made with modified Newtonian and free-molecular-flow calculations. Aerothermal results were also obtained for zero incidence entry conditions.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-2508
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    Method for producing micro heat panels (1997)
    In:  CASI
    Details
    Publication Date: 2019-08-28
    Description: Flat or curved micro heat pipe panels are fabricated by arranging essentially parallel filaments in the shape of the desired panel. The configuration of the filaments corresponds to the desired configuration of the tubes that will constitute the heat pipes. A thermally conductive material is then deposited on and around the filaments to fill in the desired shape of the panel. The filaments are then removed, leaving tubular passageways of the desired configuration and surface texture in the material. The tubes are then filled with a working fluid and sealed. Composite micro heat pipe laminates are formed by layering individual micro heat pipe panels and bonding them to each other to form a single structure. The layering sequence of the micro heat pipe panels can be tailored to transport heat preferentially in specific directions as desired for a particular application.
    Keywords: Fluid Mechanics and Thermodynamics
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    Liquid air mixing system (1997)
    In:  CASI
    Details
    Publication Date: 2019-08-28
    Description: A device for mixing liquid nitrogen and liquid oxygen to form liquid air. The mixing device consists of a tube for transferring liquid oxygen positioned within a tube for transferring liquid nitrogen. Supply vessels for liquid oxygen and liquid nitrogen are equally pressurized and connected to the appropriate tubes. Liquid oxygen and nitrogen flow from the supply vessels through the respective tubes and are mixed to form liquid air upon exiting the outlets of the tube. The resulting liquid air is transferred to a holding vessel.
    Keywords: Fluid Mechanics and Thermodynamics
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    Transition Effects on Heating in the Wake of a Blunt Body (1997)
    In:  CASI
    Details
    Publication Date: 2019-08-28
    Description: A series of aerodynamic heating tests was conducted on a 70-deg sphere-cone planetary entry vehicle model in a Mach 10 perfect-gas wind tunnel at freestream Reynolds numbers based on diameter of 8.23x104 to 3.15x105. Surface heating distributions were determined from temperature time-histories measured on the model and on its support sting using thin-film resistance gages. The experimental heating data were compared to computations made using an axisymmetric/2D, laminar, perfect-gas Navier-Stokes solver. Agreement between computational and experimental heating distributions to within, or slightly greater than, the experimental uncertainty was obtained on the forebody and afterbody of the entry vehicle as well as on the sting upstream of the free-shear-layer reattachment point. However, the distributions began to diverge near the reattachment point, with the experimental heating becoming increasingly greater than the computed heating with distance downstream from the reattachment point. It was concluded that this divergence was due to transition of the wake free shear layer just upstream of the reattachment point on the sting.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-2569 , 32nd AIAA Thermophysics Conference; Jun 23, 1997 - Jun 25, 1997; Atlanta, GA; United States
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    Effect of Controlled Excitation on a Tabbed Jet (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-13
    Description: Detailed flowfield measurements have been carried out for a turbulent circular jet perturbed by tabs and artificial excitation. The excitation condition involved subharmonic resonance which manifested in a periodic vortex pairing in the near flowfield. While the excitation and the tabs independently increased jet spreading, a combination of the two diminished the effect. The jet spreading was the most with the tabs, but was reduced when excitation was applied to the tabbed jet. The self-induction of the distorted azimuthal vortex rings during the pairing process weakened the streamwise vortices produced by the tabs to cause this effect.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-0216 , Aerospace Sciences; Jan 06, 1997 - Jan 10, 1997; Reno, NV; United States
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    Non-Intrusive Optical Diagnostic Methods for Flowfield Characterization (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-13
    Description: Non-intrusive optical diagnostic techniques such as Electron Beam Fluorescence (EBF), Laser-Induced Fluorescence (LIF), and Focusing Schlieren (FS) have been setup for high-speed flow characterization and large flowfield visualization, respectively. Fluorescence emission from the First Negative band of N2(+) with the (0,0) vibration transition (at lambda =391.44 nm) was obtained using the EBF technique and a quenching rate of N2(+)* molecules by argon gas was reported. A very high sensitivity FS system was built and applied in the High-Speed Flow Generator (HFG) at NASA LaRC. A LIF system is available at the Advanced Propulsion Laboratory (APL) on campus and a plume exhaust velocity measurement, measuring the Doppler shift from lambda = 728.7 nm of argon gas, is under way.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: URC97123 , NASA University Research Centers Technical Advances in Education, Aeronautics, Space, Autonomy, Earth and Environment; 1; 711-716
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    The Effect of Transition Modeling on the Prediction of Compressible Deep Dynamic Stall (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-13
    Description: The importance of transition modeling in the computation of compressible, unsteady separated flows is discussed. The study showed that it is critical to predict the experimentally attained transition point properly in order to obtain good agreement with data it the same Mach number and Reynolds number.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 7th Asian Congress of Fluid Mechanics; Dec 08, 1997 - Dec 12, 1997; Madras; India
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    Hypersonic Flow Computations on Unstructured Meshes (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-10
    Description: A method for computing inviscid hypersonic flow over complex configurations using unstructured meshes is presented. The unstructured grid solver uses an edge{based finite{volume formulation. Fluxes are computed using a flux vector splitting scheme that is capable of representing constant enthalpy solutions. Second{order accuracy in smooth flow regions is obtained by linearly reconstructing the solution, and stability near discontinuities is maintained by locally forcing the scheme to reduce to first-order accuracy. The implementation of the algorithm to parallel computers is described. Computations using the proposed method are presented for a sphere-cone configuration at Mach numbers of 5.25 and 10.6, and a complex hypersonic re-entry vehicle at Mach numbers of 4.5 and 9.8. Results are compared to experimental data and computations made with established structured grid methods. The use of the solver as a screening tool for rapid aerodynamic assessment of proposed vehicles is described.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: AIAA Paper 97-0625
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    Large-Eddy Simulation of Transition to Turbulence in Boundary Layers (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-10
    Description: Large-eddy simulation results for laminar-to-turbulent transition in a spatially developing boundary layer are presented. The disturbances are ingested into a laminar flow through an unsteady suction-and-blowing strip. The filtered, three-dimensional time- dependent Navier-Stokes equations are integrated numerically using spectral, high-order finite-difference, and three-stage low-storage Runge-Kutta methods. The buffer-domain technique is used for the outflow boundary condition. The localized dynamic model used to parameterize the subgrid-scale stresses begins to have a significant impact at the beginning of the nonlinear transition (or intermittency) region. The flow structures commonly found in experiments are also observed in the present simulation; the computed linear instability modes and secondary instability lambda-vortex structures are in agreement with the experiments, and the streak-like-structures and turbulent statistics compare with both the experiments and the theory. The physics captured in the present LES are consistent with the experiments and the full Navier-Stokes simulation (DNS), at a significant fraction of the DNS cost. A comparison of the results obtained with several SGS models shows that the localized model gives accurate results both in a statistical sense and in terms of predicting the dynamics of the energy-carrying eddies, without ad hoc adjustments.
    Keywords: Fluid Mechanics and Thermodynamics
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    Self-Contained Automated Methodology for Optimal Flow Control (1997)
    In:  CASI
    Details
    Publication Date: 2019-07-10
    Description: This paper describes a self-contained, automated methodology for active flow control which couples the time-dependent Navier-Stokes system with an adjoint Navier-Stokes system and optimality conditions from which optimal states, i.e., unsteady flow fields and controls (e.g., actuators), may be determined. The problem of boundary layer instability suppression through wave cancellation is used as the initial validation case to test the methodology. Here, the objective of control is to match the stress vector along a portion of the boundary to a given vector; instability suppression is achieved by choosing the given vector to be that of a steady base flow. Control is effected through the injection or suction of fluid through a single orifice on the boundary. The results demonstrate that instability suppression can be achieved without any a priori knowledge of the disturbance, which is significant because other control techniques have required some knowledge of the flow unsteadiness such as frequencies, instability type, etc. The present methodology has been extended to three dimensions and may potentially be applied to separation control, re-laminarization, and turbulence control applications using one to many sensors and actuators.
    Keywords: Fluid Mechanics and Thermodynamics
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    Adiabatic Effectiveness and Heat Transfer Coefficient on a Film-Cooled Rotating Blade (1997)
    In:  Other Sources
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    Publication Date: 2019-07-10
    Description: three-dimensional Navier-Stokes code has been used to compute the adiabatic effectiveness and heat transfer coefficient on a rotating film-cooled turbine blade. The blade chosen is the United Technologies Research Center(UTRC) rotor with five film-cooling rows containing 83 holes, including three rows on the shower head with 49 holes, covering about 86% of the blade span. The mainstream is akin to that under real engine conditions with stagnation temperature 1900 K and stagnation pressure 3 MPa. The blade speed is taken to be 5200 rpm. The adiabatic effectiveness is higher for a rotating blade as compared to that for a stationary blade. Also, the direction of coolant injection from the shower-head holes considerably affects the effectiveness and heat transfer coefficient values on both the pressure and suction surfaces. In all cases the heat transfer coefficient and adiabatic effectiveness are highly three-dimensional in the vicinity of holes but tend to become two-dimensional far downstream.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: ASME Paper 96-GT-221 , Numerical Heat Transfer; Part A; 32:811-830
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    Turbulent Distortion of Condensate Accretion (1997)
    In:  CASI
    Details
    Publication Date: 2019-08-16
    Description: When a simple model for the relationship between the density-temperature fluctuation correlation and mean values is used, we determine that the rate of change of turbulent intensity can influence directly the accretion rate of droplets. Considerable interest exists in the accretion rate for condensates in nonequilibrium flow with icing and the potential role which reactant accretion can play in nonequilibrium exothermic reactant processes. Turbulence is thought to play an important role in such flows. It has already been experimentally determined that turbulence influences the sizes of droplets in the heterogeneous nucleation of supersaturated vapors. This paper addresses the issue of the possible influence of turbulence on the accretion rate of droplets.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: URC97064 , NASA University Research Centers Technical Advances in Education, Aeronautics, Space, Autonomy, Earth and Environment; 1; 373-376
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    Pump having pistons and valves made of electroactive actuators (1997)
    In:  CASI
    Details
    Publication Date: 2019-08-15
    Description: The present invention provides a pump for inducing a displacement of a fluid from a first medium to a second medium, including a conduit coupled to the first and second media, a transducing material piston defining a pump chamber in the conduit and being transversely displaceable for increasing a volume of the chamber to extract the fluid from the first medium to the chamber and for decreasing the chamber volume to force the fluid from the chamber to the second medium, a first transducing material valve mounted in the conduit between the piston and the first medium and being transversely displaceable from a closed position to an open position to admit the fluid to the chamber, and control means for changing a first field applied to the piston to displace the piston for changing the chamber volume and for changing a second field applied to the first valve to change the position of the first valve.
    Keywords: Fluid Mechanics and Thermodynamics
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    A Numerical Simulation of a Normal Sonic Jet into a Hypersonic Cross-Flow (1997)
    In:  CASI
    Details
    Publication Date: 2019-08-15
    Description: This study involves numerical modeling of a normal sonic jet injection into a hypersonic cross-flow. The numerical code used for simulation is GASP (General Aerodynamic Simulation Program.) First the numerical predictions are compared with well established solutions for compressible laminar flow. Then comparisons are made with non-injection test case measurements of surface pressure distributions. Good agreement with the measurements is observed. Currently comparisons are underway with the injection case. All the experimental data were generated at the Southampton University Light Piston Isentropic Compression Tube.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: URC97062 , NASA University Research Centers Technical Advances in Education, Aeronautics, Space, Autonomy, Earth and Environment; 1; 361-366
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    Arc Jet Flow Properties Determined from Laser- Induced Fluorescence of Atomic Species (1997)
    In:  Other Sources
    Details
    Publication Date: 2019-07-19
    Description: Flow property measurements that were recently acquired in the Ames Research Center Aerodynamic Heating Facility (AHF) arc jet using two-photon Laser-Induced Fluorescence (LIF) of atomic nitrogen and oxygen are reported. The measured properties, which include velocity, translational temperature, and species concentration, cover a wide range of facility operation for the 30 cm nozzle. During the tests, the arc jet pressure and input stream composition were maintained at fixed values and the arc current was varied to vary the flow enthalpy. As part of this ongoing effort, a measurement of the two-photon absorption coefficient for the 3p4D(left arrow)2p4S transition of atomic nitrogen was performed, and the measured value is used to convert the relative concentration measurements to absolute values. A flow reactor is used to provide a known temperature line shape profile to deconvolve the laser line width contribution to the translational temperature measurements. Results from the current experiments are compared with previous results obtained using NO-beta line profiles at room temperature and the problem of multimode laser oscillation and its impact on the two-photon excitation line shape are discussed. One figure is attached, and this figure show relative N atom concentration measurements as a function of the arc power. Other measurements have already been acquired and analyzed. The arc jet flow facilities are heavily used in thermal protection material development and evaluation. All hypersonic flight and planetary atmospheric entry vehicles will use materials tested in these arc jet facilities. This poster represents an application of laser-spectroscopic measurements in an important test facility.
    Keywords: Fluid Mechanics and Thermodynamics
    Type: 1997 Gordon Research conference on the Pysics and Chemistry of Laser Diagnostics in Combustion; Jul 06, 2006 - Jul 11, 2006; Plymouth, NH
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    Hydrogen Bonding and Conformational Analysis of Chelate-Stabilized Alkoxopalladium(II) Complexes Derived from Amino Alcohol Ligands (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 35-44 
    Details
    ISSN: 0009-2940
    Keywords: Alkoxopalladium(II) ; Conformational analysis ; Hydrogen bonding ; Two-dimensional and cage structures ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reaction of palladium acetate with two equivalents of di- and triethanolamines RN(CH2CH2OH)2 in the presence of a base affords the new chelate-stabilized alkoxo Pd(II) complexes [Pd(OCH2CH2N(R)CH2CH2OH)2] [R = Me (1), Et (2), n-Bu (3), benzyl (4) or CH2CH2OH (5)]. These N,O-ligated complexes are isolated in high yield as yellow, crystalline solids and are thermally stable despite the presence of several β-hydrogen atoms in the ligand system. Both complexes possess a square-planar palladium coordination geometry with the two oxygen atoms positioned mutually trans. The most notable difference in the molecular structures is that 1 forms a two dimensional network of intermolecular O-H≡O hydrogen bonds, whereas 5 forms intramolecular O-H⃛O hydrogen bonds, which cage the palladium center. In solution 1-4 exist as a diastereoisomeric mixture (a racemic enantiomeric pair SNSN, RNRN and a mesomeric form RNSN) in a 1:1 molar ratio, and this ratio is independent of temperature in nonalcoholic solvents, When complexes 1-4 are dissolved in protic solvents (e.g. MeOH) the diastereomeric excess is temperature-dependent due to an exchange process between the meso diastereoisomer and the (racemic) enantiomeric pair. Thermodynamic parameters for this process in a mixture of MeOH-toluene have been determined with NMR and show this process to be influenced by the steric nature of the alkyl substituent (R) on nitrogen. A conformational analysis based on 1H-NMR coupling constants within the N,O-chelate ring of complexes 1-4 provides details on the solution structure of the ring in both diastereoisomers.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300106
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    Synthesis of Functionalized Carbamates through a Palladium-Catalyzed Reductive Carbonylation of Substituted Nitrobenzenes (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 13-22 
    Details
    ISSN: 0009-2940
    Keywords: Carbamates ; Catalysis ; Substituted nitrobenzenes ; Palladium ; Reductive carbonylation ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The palladium-catalyzed reductive carbonylation of ortho and para-substituted nitrobenzenes has proven to be an attractive route for the synthesis of functionalized carbamates. For the Pd(1, 10-phenanthroline)2(triflate)2 catalyst system, the scope of the reaction has been studied. Substrates with electron-donating substituents at the para position were found to decrease the catalytic activity, most probably as a result of their relatively low oxidizing capacity. the selectivity towards the desired carbamate, however, was increased for these substrates. Under the influence of electron-withdrawing substituents the azoxybenzene and azobenzene derivatives became important side products. Introduction of large steric hindrance at the ortho position of the nitro substrates gave rise to an interesting side reaction, viz. methoxylation of the aromatic ring. The methoxylation reaction appeared to occur on an intermediate species in the catalytic cycle. Several functionalities have shown to be resistant to the reaction conditions required for the conversion ot the nitro group. Especially with 4-nitrobenzoic acid, an extremely high activity and selectivity was found, thus yielding a very convenient synthesis for N-protected amines containing carboxylic acid function.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300104
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    Dimeric Silver(I) Complexes of Some Isothiazole-Based LigandsDedicated to Prof. Dr. Rolf Gleiter on the occasion of this 60th birthday. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 95-100 
    Details
    ISSN: 0009-2940
    Keywords: Isothiazole complexes ; Dinuclear silver(I) complexes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A series of isothiazole-based potential ligands bearing substituents with additional donor sites in the 5-position of the heterocycle was synthesized [3-Me-5-R-C3HNS; R = CH=N(CH2)2py (1), CH=NCH2py (2), CH2N(CH2CH2NEt2)2 (4), (CH2)2SMe (5)]. Upon reaction with AgO3SCF3 they formed complexes [(1)AgOSO2CF3]2 (6), [(2)AgOSO2CF3]2 (7), [(4)Ag]2+2(O3SCF-3)2 (8) and [(5)AgOSO2CF3]2 (9), respectively. 6, 8 and 9 were shown by X-ray structural analyses to consist of dimeric units L2Ag2+2, either discrete (8), coordinated by terminal CF3SO-3 units (6). In 8 and 9 the isothiazole moiety is bonded to the metal center via the ring-N. The coordination potential of the isothiazole heterocycle is discussed.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300115
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    Synthesis and Structure of Binuclear Single-Bridged Bis[(phosphane)gold(I)]halogenonium Complexes (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 115-118 
    Details
    ISSN: 0009-2940
    Keywords: Gold complexes ; Bromonium complex ; Halogenonium complex ; Halogen, two-coordinate ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Reactions of (R3P)AuX (X = Cl, Br, I) with [(R3P)Au]+ BF-4 obtained from (R3P)AuCl and AgBF4 in tetrahydrofuran, lead to cationic binuclear gold(I) complexes of the general formula ([(R3P)Au]2X}+ BF-4. A number of chloro- (R = Ph, o-Tol, Mes, Bzl, Et), bromo- (R = Ph, o-Tol, Mes) and iodo-bridged (R = Ph, Mes) complexes of this type have been isolated and identified on the basis of their analytical and spectroscopic data. The crystal structure of bis[(triphenylphosphane)gold(I)]bromonium tetrafluoroborate was determined by single-crystal X-ray diffraction. The cations contain two-coordinate bromine atoms with an Au-Br-Au angle of 96.83(3)°.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300119
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    A Specific Route to Enantiomerically Pure Asymmetric (η6-Arene)(η4-1,5-cyclooctadiene)Ru(0) ComplexesDedicated to Professor Rolf Gleiter on the occassion of his 60th birthday. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 123-130 
    Details
    ISSN: 0009-2940
    Keywords: Arene complexes ; Ruthenium compounds ; Electrophilic substitution ; Lithiation ; Catalysis ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Chiral or achiral (arene)(COD)Ru complexes can be made by replacing the η6-ligands of (η4-1,5-COD)(η6-1,3,5-cyclooctatriene)Ru (1) or (η4-1,5-COD)(η6-naphthalene)Ru (2) by a suitable arene. This well known reaction has been extended to mono- and dibromoarenes and we report a novel route to substituted (arene)(COD)Ru species, utilizing (bromoarene)-(COD)Ru as starting materials. These facilitate a rapid bromine-lithium exchange reaction with nBuLi at low temperatures and the lithiated species react readily with alkyl chloroformates as electrophiles. By using chiral electrophiles [alkyl = (-)-menthyl] enantiomerically pure or diastereomeric complexes containing CO2R* groups are formed, depending on the symmetry of the original complex. A diastereomeric 1:1 mixture was separated by recrystallization. All (arene)-(COD)Ru complexes tested so far are useful as catalysts for the hydrogenation of simple alkenes at room temperature.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19971300121
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    Recent Advances in C-F Bond Activation (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 145-154 
    Details
    ISSN: 0009-2940
    Keywords: Fluorocarbons ; C-F bond activation ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The main reaction pathways which lead to the breaking of C-F bonds in perfluoroalkanes and -arenes are discussed. Emphasis is placed on recent developments and on the mechanistic patterns that emerge.
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/cber.19971300203
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    Metal Atoms in the Synthesis of Metal Clusters, VIII.On the Reaction of Sterically Demanding Cyclopentadiene Ligands with Cobalt Atoms: Synthesis, Crystal Structure, Spectroscopic Behavior, and Reactivity of Di-, Tri- and Tetranuclear Hydrido Clusters of CobaltDedicated to Professor IV Siehert on the occasion of his 60th birthday. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 161-170 
    Details
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The metal-vapor reactions of Co atoms with 1,3-tBu2CpH (1a), 1,3-tBu2CpH (1a), 1,2,4-tBu3CpH (1b) and EtMe4CpH (1c) are described. With 1a the two mononuclear complexes [(η5-tBu2Cp) (η4-tBu2-1,3-cyclopentadiene)Co] (2a) and [(η5-tBu2Cp)2Co] (3a) were isolated, together with the dinuclear cobalt cluster [{(η5-tBu2Cp)Co}2H3] (4a) and trace amounts of the tetranuclear cluster [{(η5-tBu2Cp)CoH}4] (5a). The molecular structures of 3a and 4a were determined by X-ray diffraction. Reaction of 1b with Co atoms afforded a single product, the dinuclear cluster [{(η5-tBu3Cp)Co}2H3] (4b), whose molecular structure was determined by single-crystal X-ray diffraction. Both, 4a and 4b exhibit extremely short Co-Co distances [2.244(1) (4a) and 2.242(1) Å (4b)], as found for the Me5Cp analog [{(η5-Me5Cp)Co}2H3] (4c). Reaction of an isomeric mixture of Me4EtCpH (1c) with Co atoms furnished the mononuclear sandwich [ (η5-Me4EtCp)(η4-Me4Et-1,3- cyclopentadiene)Co] (2b), the trinuclear hydridocobalt cluster [{(η5-Me4EtCp)Co}3H4] (6a) and the tetranuclear hydridocobalt cluster [{(η5-Me4EtCp)Co}4H4] (5c). The molecular structure of 5c was determined by X-ray crystallography and revealed a tetrahedral arrangement of the cobalt atoms. The electrochemical behavior of the dinuclear complexes 4a-4c was studied by cyclic voltammetry. Reversible redox couples were found for all three compounds, with a correlation between the degree of alkyl substitution and their respective cathodic shifts. Compounds 4a and 4b react with CO to yield the mononuclear and dinuclear complexes [ (η5- CpR)Co(CO)2] (R=1,3-tBu2, 1,2,4-tBu3) (7a and 7b) as well as [{(η5-CpR)CO}2(CO)2] (8a and 8b). Reaction of the trinuclear hydridocobalt cluster 6a and its Me5Cp analog 6b with AgBF4 in the presence of PEt3 yielded the heteronuclear clusters [{η5-Me4CPR)Co}3AgP(Et)3H4]+[BF4]- (R=Et, Me) (9a and 9b). 9a was structurally characterized by X-ray crystallography.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300205
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    Generation and Synthetic Application of Metallated Methyl Isopropenyl Ether, A Substitute for Acetone Enolate (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 45-48 
    Details
    ISSN: 0009-2940
    Keywords: Metallated methyl isopropenyl ether ; Tetrahydrofurans ; 1-Oxabicyclo[4.3.0]heptanes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Methyl isopropenyl ether (1) has been metallated at low temperature with a 1:1 molar mixture of n-BuLi/t-BuOK in THF-hexane, and subsequently functionalized with a variety of electrophilic reagents. At temperatures higher than - 30°C, the metallated methyl isopropenyl ether (2) decomposes with formation of allene. When the suspension of 2 is allowed to warm up to room temperature in the presence of an additional equivalent of n-BuLi, the intermediary allene is converted into 1-propynyllithium (2c), which reacts with propylthiocyanate to give 1-propylthio-1-propyne (4). Some of the functionalization products were subjected to acidic hydrolysis affording the expected methyl ketones.
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/cber.19971300107
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  • 81
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    Asymmetric Catalysis, 105Part 104: Ref.. Stereoselective Hydrogenation of Folic Acid with Immobilized Optically Active Rhodium(I)/Diphosphane Catalysts (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 55-62 
    Details
    ISSN: 0009-2940
    Keywords: Diastereoselective hydrogenation ; Folic acid ; Immobilized optically active rhodium(I)/diphosphane catalysts ; Leucovorin ; HPLC analysis of 5-formyltetrahydrofolic acid derivatives ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: For the hydrogenation of the C=N bonds in the pyrazine ring of the vitamin folic acid (1) optically active rhodium(I)/diphosphane complexes immobilized on supports such as silica gel or Al2O3 were used. The reduction was carried out at 50 bar hydrogen pressure in an aqueous solution buffered to pH 7. Thus, 5,6,7,8-tetrahydrofolic acid (2) was obtained which contains a new asymmetric center at C-6 of the pterine system. Therefore, in combination with the (S) configuration of the natural L-glutamic acid part of the molecule two diastereomers with (6S,S) and (6R,S) configuration arise. The relatively unstable tetrahydrofolic acid (2) was converted into its 5-formyl derivative folinic acid (4) by treatment with methyl formate/formic acid in a 5:1 mixture of DMSO/pyridine. The Ca salt of folinic acid (4) is the widely used drug leucovorin. The diastereomers were separated by silica gel HPLC. To the column bovine serum albumine (BSA) is covalently bound. With optically active rhodium(I)/diphosphane catalysts, immobilized on silica gel supports, a diastereoselectivity of up to 90% could be achieved in the hydrogenation of folic acid (1).
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300109
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    Hexahydro-closo-hexaborane as a Ligand in Coordination Compounds: Syntheses and Crystal Structures of [M2(μ-bis-η3-B6H6)(PPh3)2] )M = Cu, Au) (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 405-408 
    Details
    ISSN: 0009-2940
    Keywords: Hexahydro-closo-hexaborates ; Boron ; Bridging ligands ; NMR spectroscopy ; Gold ; Copper ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By reaction of (PPh3)3 CuCl and PPh3AuCl with [B6H6]2- in organic media, dinuclear complexes are formed containing the hexaborate as a bridging ligand coordinated to the metal centers by opposite B3 facets of the B6 cluster in a trihapto mode. This is verified by single-crystal X-ray structural analysis of the isotypical (Paā) compounds [Cu2μ-bis-η3-B6H6)(PPh3)2] (1) and [Au2(μ-bis-η3-B6H6)(PPh3)2)] (2) which showed the metal centers to be very close to the B3 plane [1.92 (1), 2.10 (2) Å. The 11B NMR spectra of the two compounds feature doublets, at δ= -15.32 in 1 and at -11.51 in 2, which are significantly shifted downfield in comparison to [B6H6]2- (δ= -17.2).
    Additional Material: 2 Ill.
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    Crown Thioether Chemistry: Novel Silver(I) Complexes of 1,3-Dithiole-Annelated 1,4,7-Trithiacyclononane (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 425-429 
    Details
    ISSN: 0009-2940
    Keywords: Silver complexes ; Crown compounds ; Thioethers ; 1,3-Dithioles ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The coordination chemistry of two crown thioethers 2,5,8,10,12-pentathiabicyclo[7.3.0]dodeca-1)9)-ene-11-thione (L) and -11-one (L') with Ag1 has been investigated by structural methods. Both thioethers act as tridentate ligands coordinating the silver ion in a trigonal fashion. In the case L, the 11- thione sulfur is coordinated additionally by another silver ion, to yield a polymeric chain with a distorted-tetrahedral geometry about the metal ion. Despite differing only in its carbonyl chalcogen, L' forms six-coordinated, monomeric complexes.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300319
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    Unsymmetric Dinucleating Ligands for Metallobiosite Modelling (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 433-442 
    Details
    ISSN: 0009-2940
    Keywords: Metallobiosites ; Metalloproteins ; Metalloenzymes ; Dinucleating ligands ; Transition metals ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Awareness of the asymmetric nature of numerous dinuclear metallobiosites and of the ability of the individual metal ions to have quite distinct roles in the functioning of the metalloenzyme concerned has led to a search for carefully designed unsymmetric dinucleating ligands that will give dinuclear complexes capable of acting as models for the metallobiosites. This review surveys progress made in the design and synthesis of complexes capable of serving as models for donor atom, coordination number and geometric asymmetries found at dinuclear metal centres.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300402
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    Chemie polyfunktioneller Moleküle, 125Part 124: Ref. Synthese und Kristallstruktur von N,N,N′,N“,N-Pentamethyl-diethylentriamin-cokoordiniertem Kalium-bis(diphenylphosphanyl)amidHerrn Prof. Dr. Gerhard Herberich zum 60. Geburtstage gewidmet. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 141-144 
    Details
    ISSN: 0009-2940
    Keywords: Alkali metal organophosphanylamide ; Carbon-potassium bonding ; Phosphazane ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The metalation of bis(diphenylphosphanyl)amine [HN-(PPh2)2,1 with KOtBu at 95°C in toluene affords a pale yellow precipitate of potassium bis(diphenylphosphanyl)amide (3a). On addition of liquid N,N,N′,N“,N“-pentamethyldiethylenetriamine (PMDTA, 4) the precipitate dissolves in toluene at 115°C to give a yellow solution, from which yellow-green blocks of [(Ph2P)2NK·PMDTA] (3b) are obtained. X-ray analysis reveals that the coordination sphere of potassium consists of the chelating triamine ligand and [N(PPh2)2]- as N-donor as well as η1 and η2 C-donor with two phenyl fragments. No phosphorus coordination of [N(PPh2)2]- is observed.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300124
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    Organophosphorus Compounds, 114. Tetracyclic Phosphorus-Aluminium-Carbon Compounds - Synthesis by Cooligomerization of Kinetically Stabilized Phosphaalkynes with Trialkylaluminium CompoundsDedicated to Professor Michael Hanack on the occasion of his 65th birthday. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 255-259 
    Details
    ISSN: 0009-2940
    Keywords: Phosphaalkynes ; Triorganoaluminium compounds ; Cooligomerization ; Cage compounds ; Aluminium compounds ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: When the trialkylaluminium reagents 5 are allowed to react with phosphaalkynes 4 in n-pentane, a highly selective phosphaalkyne cyclotrimerization with incorporation of two organometallic units occurs (→ 6). The tetracyclooctane derivatives 6a-e represent the first examples of phosphorus-aluminium-carbon cage compounds. The polycyclic products 6 are able to function as ligands in transition-metal complexes (→ 7), which is illustrated by the reactions of 6b, c with nonacarbonyldiiron and pentacarbonyl(tetrahydrofuran)tungsten, respectively.
    Type of Medium: Electronic Resource
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    On the Ligating Properties of Sulfonate and Perchlorate Anions Towards Zinc (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 283-289 
    Details
    ISSN: 0009-2940
    Keywords: Zinc ; Sulfonate ligands ; Perchlorates ; Coordination modes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Attempts are reported to incorporate sulfonate and perchlorate anions as ligands in zinc complexes of tripodal ligands. Using tris(benzimidazolylmethyl)amine (BIMA) only the aqua complexes [ (BIMA)Zn-OH2](RSO3)(ClO4) and [(BIMA)Zn-OH2](RSO3)2(R=CH3, CF3, p-tolyl) were accessible. Using substituted pyrazolylborates (Tp*), the same three sulfonate anions were found to be ligands in the complexes Tp*Zn-OSO2R. Spectroscopic evidence for perchlorate coordination in Tp*ZnClO4 · 2 DMSO conflicts with crystallograpic evidence against it in Tp*ZnClO4 · pyridine. The crystal structures of [(BIMA)Zn-OH2](CH3SO3)2, TpCum,MeZn-OS02CH3, TPtBu,MeZn-OSO2C6H4-p-CH3, and [TpCum,MeZn · NC5H5]ClO4 were determined.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300223
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  • 88
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    Multiple Bonds Between Main-Group Elements and Transition Metals, CLXIV. Alkylrhenium(VI) Oxides-Synthesis and Characterization (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 295-298 
    Details
    ISSN: 0009-2940
    Keywords: Rhenium ; Oxides ; Alkyl ligands ; Dirhenium compounds ; Metal-metal interactions ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Most alkylrhenium(VII) oxides, e.g. ((cyclo)-C3H5)Re03 (2) are rather sensitive to temperature and moisture with the prominent exception of methyltrioxorhenium (1). The corresponding alkylrhenium(VI) oxides of formula [RR′(O)- Re(μ-O)]2 [R=R′=(cyclo)-C3H5 (3), iPr (4); R=CH3, R′=C2H5 (5), R=CH3, R′=iPr (6)] are much more stable in this regard. They can be handled in air at room temperature. They were synthesized from Re207 and dialkylzinc precursors, fully characterized and are available in much higher yields than their ReVII congeners. Mixed tetraalkyltetraoxodirhenium(VI) complexes (R # R′) synthesized from 1 and dialkylzinc compounds form as a mixture of cis/trans isomers. They are oily liquids at room temperature. The Re=O and Re-Re stretching force constants as a measure of the bond strengths, were determined from IR and Raman data.
    Additional Material: 3 Tab.
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  • 89
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    Hydroxy- and Carboxy-Substituted Allylsilanes: A Simple and Stereoselective Method of Preparation (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 335-340 
    Details
    ISSN: 0009-2940
    Keywords: Allylsilanes ; Superbases ; Metalations ; Stereoselectivity ; Cyclizations ; Silicon ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: When treated with two equivalents of a butyllithium/potassium tert-butoxide mixture, terminal olefins carrying unprotected hydroxy or carboxy groups generate allylmetal intermediates which can be trapped with chlorotrimethylsilane to afford functionalized (Z)-2-alkenyltrimethylsilanes. One equivalent of the superbasic reagent suffices if the unsaturated alcohols are first protected as acetals before being subjected to the metalation/silylation/hydrolysis sequence.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19971300306
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    Preparation, Properties, and Reactions, of Metal-Containing Heterocycles, XCVIPart XCV: E. Lindner, E. Bosch, R. Fawzi, M. Steimann, H.A. Mayer, K. Gierling, Chem. Ber. 1996, 129, 945-951.. Mono-, Di- and Trinuclear Metallacycloalkanes of the Iron-TriadDedicated to Professor Wolfgang Beck on the occasion of his 65th birthday. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 347-356 
    Details
    ISSN: 0009-2940
    Keywords: Metallacycloalkanes ; Metallacycloalkenes ; Osmium ; Iron ; Cyclic ketones ; Metallacycles ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reaction of the bis(triflates) [F3CSO3-(CH)m-O3SCF3] [m = 5-10, 12, 14, 16 (1a-i) with Na2[Os(CO)4] in dimethyl either affords the osmacycloalkanes 2a, 2b and 2f-i (m = 5, 6, 10, 12, 14, 16), diosmacycloalkanes 3a-i (m = 5-10, 12, 14, 16), and triosmacycloalkanes 4a-i (m = 5-10, 12, 14, 16). The structure of 3f was investigated by an X-ray structural analysis. This 22-membered disomacycle crystallizes in the space group Pā with Z = 1. If the unsaturated cis-4-octen-1,8-diyl bis(trifluoromethanesulfonate) (5) is treated with Na2[Os(CO)4] the diosmacyclooctadeca-5,14-diene 6 is obtained. By treating the bis(triflates) 1a, b with Na2[Fe(CO)4] the corresponding ferracycloalkanes are formed only in situ. Insertion of carbon monoxide into the M-C σ bonds leads to the cyclic ketones 7a, d and to the diketone 8d.
    Additional Material: 4 Ill.
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    Enantioselective Catalysis, XIIIPart XII: U. Nagel, J. Leipold, Chem. Ber., 1996, 129815-821.. Preparative and Structural Chemistry of Chiral 3-(Diphenylphosphanyl)-pyrrolidiens and Their Palladium(II) Complexes (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 385-398 
    Details
    ISSN: 0009-2940
    Keywords: Pyrrolidinephosphanes ; 3-Hydroxypyrrolidine ; 3-Diphenylphosphanylpyronlidine ; Salt effects ; Polymorphism ; Homogeneous catalysis ; Palladium ; Asymmetric catalysis ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The preparation of both enantiomers of 3-diphenylphosphanulpyrrolidiine (2) and several N-substituted derivatives together with two PdIi complexes of this ligand is reported. Form L-malic acid and L-hydroxyproline both enantiomers of 3-hydroxypyrrolidine are prepared without any problems due to epimerization. KPPh2 in the presence of LiCl is shown to be the most effective reagent for the synthesis of 2. The reported X-ray structure determination sof Pdl2 complexes show a rather rigid bicyclic hetero-norbornane skeleton. The flexibility of the other parts of the molecules is obvious in several polymorphs revealed by this method. This polymorphism is additionally investigated by a 31P-CP-MAS study. From solution 1-, 13C- and 31P-NMR studies it is concluded that the bicyclic hetero-norbornane skeleton is retained in solution.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300313
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    Reactions of Silicon-Silicon Bonds, VIFor part V, see ref.[1].. Reductive Trichloroslilylation Reactions Leading to Alkyl- and Dialkylaminobis(trichlorosilyl)phosphanesDedicated to Professor Walter Siebert on the occasion of his 60th birthday. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 377-384 
    Details
    ISSN: 0009-2940
    Keywords: Trichlorosilylation ; Dichlorophosphanes ; Silylphosphanes ; Amino(silyl)phosphanes ; Silicon /Reductions ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Reactions of hexachlorodisilane and of trichlorosilane/triethylamine with alkyl-and dialkylaminodichlorophosphanes RPCl2 1a-i [R = iPr: a; (Me3Si)2CH: b; R=1-adamantly: c: R=tBu: d; R=Et2N: e; R=iPr2M: f] furnish bis(trichlorosilyl)-phosphanes RP(SiCl3)2 3a-f. However, when less bulky substituents are attached to the phosphorus atom, so that there is little steric crowding, the double reductive silylations leading from 1 to 3 are accompanied by side reactions and decomposition of 3. Therefore, only 3b, 3c, 3d, and 3f wre isolated in a pure state. These compounds are more readily prepared by the; trichlorosilane/triethylamine method. 1H-, 31P- and 29Si-Nmr spectra confirm their constitution. The structure of solid 3f, the first aminobis(trichlorosilyl)phosphane, was determined by X-ray crystallography. 3f contains a phosphorus atom in a pyramidal environment surrounded by two silicon atoms and a planar nitrogen atom of the diisopropylamino group.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300312
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    Formation of the Digallium Compound [(C5C6)2N3](R)Ga-Ga(R)[N3(C6H5)2] with Two Bis(trimethylsilyl)methyl Groups and Two Terminal Chelating Diphenyltriazenido Ligands (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 417-420 
    Details
    ISSN: 0009-2940
    Keywords: Gallium ; Low-valent compounds ; Gallium-gallium bond ; Terminal triphenytriazenido ligand ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Tetrakis[bis(trimethylsilyl)methyl]digallane (4) 1 reacts with 1,3-diphenyltriazene to yield two compounds, which were both characterized by a crystal structure determination. The gallium-gallium bond is retained in the yellow derivate [(H5C6)2N3](R)Ga-Ga(R)[N3(C6H5)2 2 [R = CH(SiMe3)2], which is formed by a ligand exchange reaction and shows two terminal chelating triazenido ligands besides two bis(trimethylsilyl)methyl groups; the Ga—Ga bond length is 245.79(6) pm. The second product is the orange dialkyl(diphenyltriazenido)gallium derivative R2Ga[N3(C6H5)2] 3, where the triazene has reacted as an oxidant by the cleavage of the Ga—Ga bond and probably by release of elemental hydrogen.
    Additional Material: 2 Ill.
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    The Electronic Structure of [Te15Br4][MoOBr4]2 and Some General Aspects of Bonding in “Classical” and Hypervalent Tellurium Halides (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 463-472 
    Details
    ISSN: 0009-2940
    Keywords: Hypervalent compounds ; Tellurium ; Polycations ; Molecular Orbital Theory ; Band structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Approximate MO and band structure calculation are used to analyze the bonding in the recently synthesized paramagnetic, semiconducting phase [Te15Br4]2+. The [Te15Br4]2+ chains are very similar to those in the tellurium subhalide Te2Br. The electronic structure and bonding within these chains is analysed and the possibility of hypervalency in both [Te15Br4][MoOBr4]2 and Te2Br is discussed. The bonding in the classically hypervalent molecule TeBr42- and a model Te3Br24- is compared to that of the infinite system. Our calculations indicate that both [Te15Br4][MoOBr4]2 and Te2Br contain weakly hypervalent Te atoms and that the interesting electronic properties of [Te15Br4][MoOBr4]2 arise within the distinct sublattices, which do not interact significantly.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/cber.19971300405
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    Heterobimetallic Complexes with a Propynylidene C3-Bridge: General Synthetic Routes to Bimetallic Ethynylcarbene Complexes (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 479-488 
    Details
    ISSN: 0009-2940
    Keywords: Heterobimetallic complexes ; Carbene complexes ; Alkynes ; Coupling reaction ; Bridging ligands ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Sequential reaction of the dimethylamino(trimethylsilylethylnyl)carbene complexes [(CO)5M'=C(NMe2)C≡CSiMe3] [M' = W (1a)] with KF/THFMeOH, nBuLi and transition metal halides, [XMLn], affords heterobimetallic propynyliden complexes of the type [(CO)5M'=C(N-Me2)C≡CMLn] [MLn = Ni(PPh3) Cp (4a, b). Ni(PMe2Ph)2- {Mes) (Mes=2,4,6-C6H2Me3) (5a), Rh(CO)(PPh3)2 (6a), Fe(CO)2Cp (7a,b)]. In contrast, reaction of 1a with MeLi · LiBr and [IFe(CO)2Cp] yields the novel N-metallated complex [(CO)5W=C{N(ME)Fe(CO)2Cp}C≡CSiMe3] (8a). The complexes [(CO)5M'=C(NMe2)C≡CMLn=Fe(CO)2Cp (7a, b), Ru(CO)2Cp (10a,b), Ru(CO)(PPh3)Cp (11a), Mn(CO)5 (12a), Re(CO)5 (13a)] are accessible by Pd-catalyzed coupling of the C-stannylated carbene complexes [(CO)5M'=C-(NMe2)C≡CSnBu3] (9a, b) with [XMLn]. The related monomethylaminocarbene complexes [(CO)5M'=C(NHMe)C≡ CSnBu3] (16a, b), obtained by stannylation of [(C))5M'=C(NHMe)C=CH] (15a, B) with Bu3SnNEt2, react with [IFe(CO)2Cp] to give the bimetallic complexes [(CO)5M'=C(NHMe)C≡CFe(CO)2Cp] (17a, b). The complexes 4a, 5a, 7a and 10a were characterized by X-ray structural analysis. The spectroscopic and structural data suggest that the two metal centers in 4-7, 10-13, and 17 interact only weakly.
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    Synthesis and Molecular Structure of a Rhenium Complex Derived from 8a-Amino-6-methyl-ergolineDedicated to Professor Roland Mayer on the occasion of his 70th birthday. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 839-841 
    Details
    ISSN: 0009-2940
    Keywords: Rhenium ; Technetium ; 8a-Amino-6-methyl-ergoline ; Chelates ; Structure elucidation ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Current research in radiopharmaceutical chemistry is aimed at the design of technetium-based receptor-binding radiotracers because of the excellent nuclide properties of the isotope 99mTc. Tc tracers and the corresponding complexes of rhenium, as the inactive surrogate of Tc, are required to imitate organic agonists or antagonists of the receptor. We have started studies with ergolines, which are known to be dopamine substitutes. The present report deals with the functionalization of 8α-amino-6-methyl-ergoline (2) with a 2-mercaptoacetyl group, and the subsequent synthesis of the first rhenium complex containing a pendent ergoline moiety [Re- O(SSS)(RS)] (HSSSH = HS-CH2CH2-S-CH2CH2-SH and RSH = 8a-amino-N-(2-mercaptoacetyl)-6-methyl-ergoline) (4). The molecular structure of the rhenium complex was determined by X-ray crystal structure analysis.
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    Aminotroponimines as Ligands for Yttrium and Lanthanide Complexes (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 859-862 
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    ISSN: 0009-2940
    Keywords: Yttrium ; Lanthanum ; Samarium ; Lanthanides ; Aminotroponiminate ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reaction of N-isopropyl-2-(isopropylamino)troponimine, [(i-Pr)2ATI]H, with KH in THF affords [(i-Pr)2ATI]K. This is a useful starting material for the preparation of the mono-, bis- and tris-substituted compounds [[i-Pr)2ATI]YCl2-(THF)2}2, [(i-Pr)2ATI2Y[O(2,6,t-Bu2C6H3)] and [(i-Pr)2-ATI]3Ln (Ln = Y, La, Sm), which can be obtained from ([i-Pr)2ATI]K and LnX3 and LnX3 (X = Cl, I), or Y[O(2,6-t-BuC6H3)]3. All compounds have been characterized by spectroscopic methods. The monosubstituted yttrium complex {[(i-Pr)2ATI]YCl2(THF)2}2 has also been investigated by single crystal X-ray diffraction.
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    C-H Bond Activation of Simple Alkenes with (C5H5)CO Fragments: Preparation, Molecular Structure, and Dynamical Behaviour of Tri- and Tetranuclear Cyclopentadienylcobalt Cluster complexes with μ-Cycloalkyne Ligands (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 593-603 
    Details
    ISSN: 0009-2940
    Keywords: C-H activation ; Alkyne complexes ; Cyclopentadienyl cobalt ; Fluxionality ; Hydrido complexes ; Clusters ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Vicinal C-H bonds of the cycloalkenes CnH2n (n = 5-8) were activated upon treatment under mild conditions with reactive sources of the (C5H5)CO fragment. With [C5H5)CO(C2H4)2] (2a), the trinuclear cluster complexes [H2((C5H5)CO)3(μ3-C2(CH2)n-2)] (5a: n = 5; 5c: n = 5d: n = 8) were formed. Using the more reactive [(C5H5)2Co]/K, 5a-5dwere obtained, along with small amounts of the tetranuclear [{(C5H5)CO}4r{μ4-C2(CH2)n-2}] (8a-c: n = 5-7). X-ray structure analyses of 5c, d and 8b, c were performed. A μ-‖ (orμ3-η1:η2:η1) coordination of the cycloalkyne ligands was found in the trinuclear cluster complexes. The tetranuclear 8b, c had the cycloalkynes quadruply bridging (μ4-η1:η2:η2:η1_ a butterfly arrangement of the metal atoms. The acetylenic carbon-carbon bonds are considerably lengthened upon coordination [1.392(4), 1.398(3) å in 5c d; 1.464(8), 1.499(5) Å in 8b, c]. Three dynamic processes - alkyne “walk” on top of the CO3 triangle, μ2-hydride migration, and μ2/μ3-hydride exchange - are operational in the trinuclear 5a-d. Dynamic NMR data for 5a are consistent with a “windshield-wiper” mechanism for the alkyne migration. Hydride exchange is associated with a higher energy barrier, and is probably and independent dynamic process.
    Additional Material: 6 Ill.
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    Organoamido- and Aryloxolanthanoids, 15Part 14: Ref. [1a].. Organometallic Compounds of the Lanthanoids, 116Part 115: Ref. [1b].. Syntheses of Low Coordination Number Divalent Lanthanoid Organoamide Complexes, and the X-ray Crystal Structures of Bis[(N-2,6-diisopropylphenyl)(N-trimethylsilyl)amido]bi(tetrahydrofuran)samarium(II)and -ytterbium(II) (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 409-415 
    Details
    ISSN: 0009-2940
    Keywords: Mercury ; Lanthanides ; Lanthanoid(II) complexes ; (N-2,6-Diisopropylphenyl)(N-trimethylsily)amide complexes ; Bis(trimethylsilyl)amide complexes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Mercury(II) amide complex Hg[N(SiMe3)(2,6-iPr2C6H3)]2 (1) was prepared by reaction of HgBr2 with Li[N(SiMe3) 2,6-iPr2C6H3)] in diethyl ether solvent. Redox transmetallation reactions of 1 with elemental samarium, europium or ytterbium in THF solvent (THF = tetrahydrofuran), generated the novel divalent complexes Ln[N(SiMe3)(2,6-iPr2C6H3]2(THF)2 with Ln = Sm (2), Eu (3) and Yb (4). 4 was also synthesized by reaction of elemental ytterbium, HgPh2 and HN(SiMe3)(2,6-Me3)2]2(THF)2 [Ln = Sm (5), Yb (6)] by reaction of the metals with HgPh2 and HN(SiMe3)2. Thermal desolvation of 4 under high vacuum gave Yb(N)(SiMe3)2,6-iPr2C6H3)]2 (THF) (7), whereas under identical conditions 6 yielded the solvent-free complex [Yb[N{SiMe3)2]2]2. (8). The new compounds 1-4 and 7 are hydrocarbon soluble and 171Yb-NMR spectra were recorded for 4, 6, 7 and 8. X-ray crystal structure determinations of 2 and 4 revealed four-coordinate, distorted tetrahedral metal environments augmented by weak Ln…ipso-C(aryl) interactions.
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    Synthesis and Structure of 2,2′ -Boryl-, Germyl-Silyl-, and Stannyl-Substituted 1,1′ -Binaphthyl SystemsDedicated to Professor Hans Paulsen on the occasion of his 75th birthday. (1997)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 130 (1997), S. 923-932 
    Details
    ISSN: 0009-2940
    Keywords: Biaryls ; Boron ; Chirality ; Cooperative Effects ; Lewis acids ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A number of Lewis acid binaphthyl systems, substituted in 2-or 2,2′-position, are synthesized by lithiation of 2,2′-dibromo-1,l ′-binaphthyl (5), followed by addition of various electrophiles. Stepwise lithiation and subsequent borylation with trimethyl borate leads to the bromoboronic acid 6, which can be stabilized by esterification with pinacol giving 7. By increasing the reaction mixture to 2 equiv. of n-butyllithium and 2 equiv. of methyl borate the path to the binaphthylmonoboronic acid ester 9 is opened up. A further increase in the quantity of electrophile also leads to the binaphthylbisboronic acid ester 12. The 2,2′-disubstituted silyl, germyl, and stannyl derivatives 13a-15a are accessible in good yields. Treatment with boron halides leads exclusively to methyl/halogen exchange, giving the bidentate Lewis acids 13b-15b, the former of which can be bridged by oxygen.Only in case of the bis(tributylstannyl)binaphthyl 16a does ipso substitution occur in the presence of boron trichloride, giving the bis(dichloroboryl)-substituted binaphthyl 16b which can then be hydrolysed to 11. The structures of the majority of the compounds were investigated by X-ray diffraction. In case of the 2,2′-disubstituted compounds 13a-15a the naphthyl groups are orientated perpendicular to each other. The intra- and intermolecular interactions are dominated by this binaphthyl system. In case of the oxygenbridged compounds 13c and 14c the angle between the naphthyl planes decreases to about 70°. This also has an effect on the packing of the molecule; in this instance the orientation of two naphthyl in neighbouring molecules is nearly parallel. The structure of the diboronic acid is dominated by intra- and intermolecular hydrogen bonding.
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