Algebraic approach to the vibrational excitations in methane
We present a description of the vibrational excitations of methane by means of an algebraic analysis of a model of coupled anharmonic oscillators.
Lemus, Renato↗
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Electron-Molecule Col1isions: Quantitative Approaches, and the Legacy of Aaron Temkin
This article, on electron-molecule collisions, is dedicated to the legacy of my good friend and sometime collaborator, Aaron Temkin on his retirement from the NASA-Goddard Space Flight Center after many years of work at the highest intellectual level in the theoretical treatment of electron-atom and electron-molecule scattering. Aaron's contributions to the manner in which we think about electron-molecule collisions is clear to all of us who have worked in this field. I doubt that the great progress that has occurred in the computational treatment of such complex collision problems could have happened without these contributions. For a brief historical account, see the discussion of Temkin's contribution to electron-molecule scattering in the first article of this volume by Dr. A. K. Bhatia. In this article, I will concentrate on the application of the so called, non-adiabatic R-matrix theory, to vibrational excitation and dissociative attachment, although I will also present some results applying the Linear Algebraic and Kohn-Variational methods to vibrational excitation. As a starting point for almost all computationally effective approaches to electron-molecule collisions, is the fixed nuclei approximation. That is, one recognizes, just as one does with molecular bound states, that there is a separation of electronic(fast) and nuclear(s1ow) degrees of freedom. This separation makes it possible to "freeze" the nuclei in space, calculate the collision parameters for the frozen molecule and then, somehow to add back the vibrations and rotations. The manner in which this is done, depends on the details of the collision problem. It is the work of Aaron and a number of other researchers that has provided the guidance necessary to resolve these issues.
Schneider, B.I.↗
Numerical operator method
Algebraic solutions of difference equations - stability of sampled-data control systems - numerical method for determining transients in electric systems excited by complex signals
ELECTRIC NETWORK↗
Analytical estimates of turbulent MHD transport coefficients
Turbulent transfer rates from small-scale MHD excitations to large-scale Fourier modes are calculated algebraically, using the method of Biskamp and Welter. Three cases are considered: two-dimensional Navier-Stokes flows, two-dimensional incompressible MHD, and the weakly three-dimensional Strauss equations. In all cases, an initially large spectral gap between the small-scale and large-scale excitations is assumed, and attention focusses on the initial values of the back-transfer rates. The sign of the transfer is determined by the sign of an analytically calculable eddy viscosity and/or anomalous resistivity. We are able to confirm the results of Biskamp and Welter for the case of two-dimensional MHD, but find some differences for the case of the Strauss equations. It is argued that the Strauss equations may not exhibit an inverse cascade phenomenon for the spatially periodic case unless their initial spectra are such that the behavior is essentially that of two-dimensional MHD.
Montgomery, D.↗
Third-sound propagation in thick films of superfluid He-4
Atkins' (1959) basic theory of third sound in thick films of superfluid He-4 is extended here to include a heat source for exciting third sound. A one-dimensional model obeying periodic boundary conditions is developed which can represent a variety of experimentally important configurations. General solutions for the model equations are found which give a complete description of third-sound waves in terms of displacement of the film surface, superfluid velocity, and temperature change as functions of space and time. Algebraic expressions for quantities that occur in general formulas are found for special excitation signals. The structure of third sound is calculated for the first time and the results are found to be inconsistent with previous findings. A direct method for accurately measuring the vaporization coefficient is also presented.
Jackson, H. W.↗
Analytic gradients for coupled-cluster energies that include noniterative connected triple excitations - Application to cis- and trans-HONO
An efficient formulation of the analytic energy gradient for the single and double excitation coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations is presented. The formulation has a small computational cost, and the algebraic manipulations may be applied generally to the analytic gradient of Moller-Plesset perturbation theory energies. The new formulation has been implemented in an efficient set of programs that utilize highly vectorized algorithms and has been used to investigate the equilibrium structures, harmonic vibrational frequencies, IR intensities, and energy separation of cis- and trans-HONO.
Lee, Timothy J.↗
Efficiency and Accuracy of Time-Accurate Turbulent Navier-Stokes Computations
The accuracy and efficiency of two types of subiterations in both explicit and implicit Navier-Stokes codes are explored for unsteady laminar circular-cylinder flow and unsteady turbulent flow over an 18-percent-thick circular-arc (biconvex) airfoil. Grid and time-step studies are used to assess the numerical accuracy of the methods. Nonsubiterative time-stepping schemes and schemes with physical time subiterations are subject to time-step limitations in practice that are removed by pseudo time sub-iterations. Computations for the circular-arc airfoil indicate that a one-equation turbulence model predicts the unsteady separated flow better than an algebraic turbulence model; also, the hysteresis with Mach number of the self-excited unsteadiness due to shock and boundary-layer separation is well predicted.
Rumsey, Christopher L.↗
A rocket tomography measurement of the N2(+) 3914 A emission rates within an auroral arc
A rocket tomography experiment designed to measure the two-dimensional distribution of the N2(+) 3914 A volume emission rates within an auroral arc is described. A simple filter photometer on board a sounding rocket, which was launched during the ARIES auroral campaign, was used to measure the 3914 A aruoral brightnesses at elevation angles ranging from 0 to 360 deg in the plane of the rocket trajectory. The measured auroral brightnesses have been tomographically inverted to recover the local 3914 A volume emissioin rates as a function of both altitude and latitude within the arc. The tomographic inversion procedure, which is based upon a maximum probability algebraic reconstruction approach, is described, and the implications of the results for studies of auroral excitation processes are briefly discussed.
Mcdade, I. C.↗
Application of Fast Multipole Methods to the NASA Fast Scattering Code
The NASA Fast Scattering Code (FSC) is a versatile noise prediction program designed to conduct aeroacoustic noise reduction studies. The equivalent source method is used to solve an exterior Helmholtz boundary value problem with an impedance type boundary condition. The solution process in FSC v2.0 requires direct manipulation of a large, dense system of linear equations, limiting the applicability of the code to small scales and/or moderate excitation frequencies. Recent advances in the use of Fast Multipole Methods (FMM) for solving scattering problems, coupled with sparse linear algebra techniques, suggest that a substantial reduction in computer resource utilization over conventional solution approaches can be obtained. Implementation of the single level FMM (SLFMM) and a variant of the Conjugate Gradient Method (CGM) into the FSC is discussed in this paper. The culmination of this effort, FSC v3.0, was used to generate solutions for three configurations of interest. Benchmarking against previously obtained simulations indicate that a twenty-fold reduction in computational memory and up to a four-fold reduction in computer time have been achieved on a single processor.
Dunn, Mark H.↗
Sensitivity of control-augmented structure obtained by a system decomposition method
The verification of a method for computing sensitivity derivatives of a coupled system is presented. The method deals with a system whose analysis can be partitioned into subsets that correspond to disciplines and/or physical subsystems that exchange input-output data with each other. The method uses the partial sensitivity derivatives of the output with respect to input obtained for each subset separately to assemble a set of linear, simultaneous, algebraic equations that are solved for the derivatives of the coupled system response. This sensitivity analysis is verified using an example of a cantilever beam augmented with an active control system to limit the beam's dynamic displacements under an excitation force. The verification shows good agreement of the method with reference data obtained by a finite difference technique involving entire system analysis. The usefulness of a system sensitivity method in optimization applications by employing a piecewise-linear approach to the same numerical example is demonstrated. The method's principal merits are its intrinsically superior accuracy in comparison with the finite difference technique, and its compatibility with the traditional division of work in complex engineering tasks among specialty groups.
Sobieszczanskisobieski, Jaroslaw↗
Sensitivity of control-augmented structure obtained by a system decomposition method
The verification of a method for computing sensitivity derivatives of a coupled system is presented. The method deals with a system whose analysis can be partitioned into subsets that correspond to disciplines and/or physical subsystems that exchange input-output data with each other. The method uses the partial sensitivity derivatives of the output with respect to input obtained for each subset separately to assemble a set of linear, simultaneous, algebraic equations that are solved for the derivatives of the coupled system response. This sensitivity analysis is verified using an example of a cantilever beam augmented with an active control system to limit the beam's dynamic displacements under an excitation force. The verification shows good agreement of the method with reference data obtained by a finite difference technique involving entire system analysis. The usefulness of a system sensitivity method in optimization applications by employing a piecewise-linear approach to the same numerical example is demonstrated. The method's principal merits are its intrinsically superior accuracy in comparison with the finite difference technique, and its compatibility with the traditional division of work in complex engineering tasks among specialty groups.
Sobieszczanski-Sobieski, Jaroslaw↗
On the receptivity and non-parallel stability of travelling disturbances in rotating disk flow
The generation and evolution of small amplitude wavelength traveling disturbances in rotating disk flow is discussed. The steady rotational speed of the disk is perturbed so as to introduce high frequency oscillations in the flow field. Secondly, surface imperfections are introduced on the disk such as roughness elements. The interaction of these two disturbances will generate the instability waves whose evolution is governed by parabolic partial differential equations that are solved numerically. For the class of disturbances considered (wavelength on the order of Reynolds number), it is found that eigensolutions exist which decay or grow algebraically in the radial direction. However, these solutions grow only for frequencies larger than 4.58 times the steady rotational speed of the disk. The computed receptivity coefficient shows that there is an optimum size of roughness for which these modes are excited the most. The width of these roughness elements in the radial direction is about .1 r(sub 0) where r(sub 0) is the radial location of the roughness. It is also found that the receptivity coefficient is larger for a negative spanwise wavenumber than for a positive one. Typical wave angles found for these disturbances are about -26 degrees.
Balakumar, P.↗
Nonlinear spatial evolution of externally excited instability waves in free shear layers
The effects of critical-layer nonlinearity on spatially growing instability waves on shear layers between parallel streams are considered. In the two-dimensional incompressible case, the flow in the critical layer is governed by a nonequilibrium, nonlinear vorticity equation. The initial exponential growth of the instability wave is converted into algebraic growth during the streamwise 'aging' of the critical layer into a quasi-equilibrium state. This leads to a next stage of evolution where the instability-wave growth is affected by both mean-flow-divergence and nonlinear effects and is eventually converted to decay. A uniformly valid composite formula for the instability wave amplitude, accounting for both nonparallel and nonlinear effects, is given and compared to experimental results. The inviscid solutions to these equations always end in a singularity at finite downstream distance.
Hultgren, L. S.↗
On the receptivity and nonparallel stability of traveling disturbances in rotating-disk flow
The generation and evolution of small amplitude long wavelength traveling disturbances in rotating-disk flow are discussed. The steady rotational speed of the disk is perturbed so as to introduce high-frequency oscillations in the flow field. Secondly, surface imperfections on the disk such as roughness elements are introduced. The interaction of these two disturbances will generate the instability waves whose evolution is governed by parabolic partial differential equations which are solved numerically. It is found that, for the class of disturbances considered here (wavelength on the order of Reynolds number), eigensolutions exist which decay or grow algebraically in the radial direction. However, these solutions grow only for frequencies larger than 4.58 times the steady rotational speed of the disk. The computed receptivity coefficient shows that there is an optimum size of roughness for which these modes are preferentially excited.
Balakumar, P.↗
Calculations of steady and transient channel flows with a time-accurate L-U factorization scheme
Calculations of steady and unsteady, transonic, turbulent channel flows with a time accurate, lower-upper (L-U) factorization scheme are presented. The L-U factorization scheme is formally second-order accurate in time and space, and it is an extension of the steady state flow solver (RPLUS) used extensively to solve compressible flows. A time discretization method and the implementation of a consistent boundary condition specific to the L-U factorization scheme are also presented. The turbulence is described by the Baldwin-Lomax algebraic turbulence model. The present L-U scheme yields stable numerical results with the use of much smaller artificial dissipations than those used in the previous steady flow solver for steady and unsteady channel flows. The capability to solve time dependent flows is shown by solving very weakly excited and strongly excited, forced oscillatory, channel flows.
Kim, S.-W.↗
Post-glacial relaxation of a viscously stratified compressible mantle
The postglacial relaxation phenomenon of a viscously compressible nonself-gravitating spherical-shell model is investigated. Analytical solutions to an exponentially depth-dependent viscosity are developed with various types of compressible density models such as those with an exponential dependence of the radius and an algebraic-root dependence of the radius. The solutions of a viscously compressible multilayered model with constant thermodynamic properties and viscosity are developed by the propagator matrix method. The results show that inferences of deep mantle viscosity from postglacial rebound would be hampered by mantle compressibility for long-wavelength harmonics because of the smaller excitation of compressible eigenfunctions in the lower mantle. The relaxation times and velocity fields are more sensitive to higher viscosity contrast for the exponentially varying viscosity than for models with discrete jumps in the viscosity structure.
Wu, J.↗
Nonlinear spatial equilibration of an externally excited instability wave in a free shear layer
A two-dimensional disturbance evolving from a strictly linear, finite-growth-rate instability wave, with nonlinear effects first becoming important in the critical layer is considered. The analysis is carried out for a general weakly nonparallel mean flow using matched asymptotic expansions. The flow in the critical layer is governed by a nonlinear vorticity equation which includes a spatial-evolution term. As in Goldstein and Hultgren (1988), the critical layer ages into a quasi-equilibrium one and the initial exponential growth of the instability wave is converted into a weak algebraic growth during the roll-up process. This leads to a next stage of evolution where the instability-wave growth is simultaneously affected by mean-flow divergence and nonlinear critical-layer effects and is eventually converted to decay. Expansions for the various streamwise regions of the flow are combined into a single composite formula accounting for both shear-layer spreading and nonlinear critical-layer effects and good agreement with the experimental results of Thomas and Chu (1989) and Freymuth (1966) is demonstrated.
Hultgren, Lennart S.↗
Time-accurate Navier-Stokes computations of self-excited two-dimensional unsteady cavity flows
Time-accurate Navier Stokes computations were performed to study self-excited oscillatory shear layer behavior over a two-dimensional rectangular cavity and to gain insight into the vortex-acoustic coupling that sustains these oscillations. Results were obtained solving the full, unsteady compressible Navier-Stokes equations for Reynolds-averaged turbulent air flow past a cavity with L/d = 2. Conditions duplicated test conditions in experiments by Rossiter at Mach numbers varied from 0.6 to 1.2. The computational scheme was the USA 2D series code developed by Rockwell's Science Center with an algebraic turbulence model for the shear layer and recirculating region. Two physical conditions were simulated: an isolated cavity situated (1) in an infinite plane wall and (2) in an infinite channel with an opposing parallel wall. Computed results for (1) showed excellent agreement with Rossiter's measured amplitudes and frequencies. A tuned acoustic duct resonance effect was observed in (2), demonstrating a controlled change in the acoustic feedback mechanism and resultant amplification in computed oscillations.
Dougherty, N. Sam↗