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At least 505 records · Page 28

Singlet Excited States of Cl and Br Molecules: New Theories Applied to the -XO and -XO2 (X=C1 and Br) Chromophores

Electronic excitation energies are determined using single-reference based theories derived from response equations involving perturbation theory and coupled-cluster theory. These methods are applied to the singlet manifold of excited electronic states of the HClO, HBrO, HOClO, HOBrO, HClO2, and HBrO2 molecules. The reliability of the various perturbation theory approaches is assessed by comparison to the linear-response singles and doubles coupled-cluster (LRCCSD) method. The excitation energies for the Y-XO compounds are compared and contrasted for Y=H and HO, and X=Cl and Br. A similar comparison is performed for the H-XO2 compounds.

Lee, Timothy J.↗

Sun-perturbed Earth-to-moon transfers with ballistic capture

A method is described for constructing a new type of low energy transfer trajectory from the Earth to the moon leading to ballistic capture. This is accomplished by utilizing the nonlinear Earth-moon-sun perturbations on a point mass in three dimensions. The interaction of the gravitational fields of the bodies defines transition regions in the position-velocity space where the dynamic effects on the point mass tend to balance. These are termed weak stability boundaries. The transfer is obtained by the use of trajectories connecting the weak stability boundaries. It uses approximately 18 percent less Delta-V than the Hohmann transfer to insert a spacecraft into a circular orbit about the moon. The use of this transfer has recently been demonstrated by Japan's Hiten spacecraft, which arrived at the moon on October 2, 1991. Application of the transfer method is also made to the Lunar Observer Mission.

Belbruno, Edward A.↗

Solution algorithms for non-linear singularly perturbed optimal control problems

The applicability and usefulness of several classical and other methods for solving the two-point boundary-value problem which arises in non-linear singularly perturbed optimal control are assessed. Specific algorithms of the Picard, Newton and averaging types are formally developed for this class of problem. The computational requirements associated with each algorithm are analysed and compared with the computational requirement of the method of matched asymptotic expansions. Approximate solutions to a linear and a non-linear problem are obtained by each method and compared.

Ardema, M. D.↗

Perturbations of a close-earth satellite due to sunlight diffusely reflected from the earth. I - Uniform albedo

A semianalytic method has been developed to calculate the radiation-pressure perturbations of a close-earth satellite due to sunlight reflected from the earth. The assumptions made are that the satellite is spherically symmetric and that the solar radiation is reflected from the earth according to Lambert's Law with uniform albedo. By using expressions for the components of the radiation-pressure force due to Lochry, the expressions for the perturbations of the elements were developed into series in the true anomaly. The perturbations within a given revolution can be obtained analytically by integrating with respect to v while holding all slowly varying quantities constant. The long-range perturbations are then obtained by accumulating the net perturbations at the end of each revolution.

Lautman, D. A.↗

Perturbations of a close-earth satellite due to sunlight diffusely reflected from the earth. II - Variable albedo

A semianalytical method has been developed to calculate the radiation-pressure perturbations of a close-earth satellite due to sunlight reflected from the earth. It is assumed that the satellite is spherically symmetric and that the solar radiation is reflected from the earth according to Lambert's law. To account for the increasing reflectivity of the earth toward the poles, its albedo is assumed to have a latitudinal dependence. The effect of the terminator on the perturbations has been neglected. The perturbations within a particular revolution are given analytically, while the long-range perturbations are obtained by accumulation.

Lautman, D. A.↗

A comparative study of theoretical methods on Goertler instability

Goertler vortices arise in boundary layers along concave surfaces due to centrifugal effects and these vortices in combination with Tollmien-Schlichting (TS) waves and crossflow vortices may play an important role in triggering early transition. There have been two distinct theoretical approaches to solve the problem. In the classical, normal-mode approach (NMA) the linear development of Goertler vortices is reduced to an eigenvalue problem. In the other method, initiated by Hall, the governing partial differential equations for the perturbations which are parabolic in the streamwise direction, are solved as an initial value problem. This method predicts multiple neutral curves depending on how and where the mean flow is perturbed, unlike the NMA where a unique but different neutral curve is predicted by each investigator. The present paper attempts to compare the two techniques and shows that mutually compatible results can be obtained when physically consistent assumptions are made.

Kalburgi, Vijay↗

Two-dimensional dynamic stall as simulated in a varying freestream

A low speed wind tunnel equipped with a axial gust generator to simulate the aerodynamic environment of a helicopter rotor was used to study the dynamic stall of a pitching blade in an effort to ascertain to what extent harmonic velocity perturbations in the freestream affect dynamic stall. The aerodynamic moment on a two dimensional, pitching blade model in both constant and pulsating airstream was measured. An operational analog computer was used to perform on-line data reduction and plots of moment versus angle of attack and work done by the moment were obtained. The data taken in the varying freestream were then compared to constant freestream data and to the results of two analytical methods. These comparisons show that the velocity perturbations have a significant effect on the pitching moment which can not be consistently predicted by the analytical methods, but had no drastic effect on the blade stability.

Pierce, G. A.↗

The excitation of unstable perturbations in a laminar friction layer

With the aid of the method of small oscillations which was used successfully in the investigation of the stability of laminar velocity distributions in the presence of two-dimensional perturbations, the excitation of the unstable perturbations for the Hartree velocity distributions occurring in plane boundary-layer flow for decreasing and increasing pressure is calculated as a supplement to a former report. The results of this investigation are to make a contribution toward calculation of the transition point on cylindrical bodies.

BOUNDARY LAYER TRANSITION - EFFECT OF SURFACE ROUG↗

The effect of varying freestream velocity on dynamic stall characteristics

A low speed wind tunnel equipped with an axial gust generator to simulate the aerodynamic environment of a helicopter rotor was used to study the dynamic stall of a pitching blade. The objective of this investigation was to find out to what extent harmonic velocity perturbations in the freestream affect dynamic stall. The study involved making measurements of the aerodynamic moment on a two-dimensional, pitching blade model in both constant and pulsating airstreams. Using an operational analog computer to perform on-line data reduction, plots of moment versus angle of attack and work done by the moment were obtained. The data taken in the varying freestream were then compared to constant freestream data, and to the results of two analytical methods. These comparisons showed that the velocity perturbations had a significant effect on the pitching moment which could not be consistently predicted by the analytical methods, but had no drastic effect on the blade stability.

Pierce, G. A.↗

Intelligent perturbation algorithms for space scheduling optimization

Intelligent perturbation algorithms for space scheduling optimization are presented in the form of the viewgraphs. The following subject areas are covered: optimization of planning, scheduling, and manifesting; searching a discrete configuration space; heuristic algorithms used for optimization; use of heuristic methods on a sample scheduling problem; intelligent perturbation algorithms are iterative refinement techniques; properties of a good iterative search operator; dispatching examples of intelligent perturbation algorithm and perturbation operator attributes; scheduling implementations using intelligent perturbation algorithms; major advances in scheduling capabilities; the prototype ISF (industrial Space Facility) experiment scheduler; optimized schedule (max revenue); multi-variable optimization; Space Station design reference mission scheduling; ISF-TDRSS command scheduling demonstration; and example task - communications check.

Kurtzman, Clifford R.↗

The protonation of N2O reexamined - A case study on the reliability of various electron correlation methods for minima and transition states

The protonation of N2O and the intramolecular proton transfer in N2OH(+) are studied using various basis sets and a variety of methods, including second-order many-body perturbation theory (MP2), singles and doubles coupled cluster (CCSD), the augmented coupled cluster (CCSD/T/), and complete active space self-consistent field (CASSCF) methods. For geometries, MP2 leads to serious errors even for HNNO(+); for the transition state, only CCSD/T/ produces a reliable geometry due to serious nondynamical correlation effects. The proton affinity at 298.15 K is estimated at 137.6 kcal/mol, in close agreement with recent experimental determinations of 137.3 +/- 1 kcal/mol.

Martin, J. M. L.↗

Perturbation of transonic flow with shocks

A general formulation of the perturbation problem is studied, and a new approach, perturbation sequence expansion, is introduced for handling shock disturbances. The method is applied to unsteady effects, three-dimensional corrections to axisymmetric and two-dimensional flows, and wind tunnel corrections. The perturbation equations are nonlinear and can be solved by shock capturing methods.

Hafez, M.↗