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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

Ground-state energies of simple metals

A structural expansion for the static ground-state energy of a simple metal is derived. Two methods are presented, one an approach based on single-particle band structure which treats the electron gas as a nonlinear dielectric, the other a more general many-particle analysis using finite-temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi-surface distortions, and chemical-potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron-ion interaction and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero-temperature thermodynamic functions of atomic hydrogen are reported.

Hammerberg, J.↗

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.↗

Analysis of structural perturbations in systems via cost decomposition methods

It has long been common practice to analyze linear dynamic systems by decomposing the total response in terms of individual contributions which are easier to analyze. Examples of this philosophy include the expansion of transfer functions using: (1) the superposition principle, (2) residue theory and partial fraction expansions, (3) Markov parameters, Hankel matrices, and (4) regular and singular perturbations. This paper summarizes a new and different kind of expansion designed to decompose the norm of the response vector rather than the response vector itself. This is referred to as "cost-decomposition' of the system. The notable advantages of this type of decomposition are: (a) easy application to multi-input, multi-output systems, (b) natural compatibility with Linear Quadratic Gaussian Theory, (c) applicability to the analysis of more general types of structural perturbations involving inputs, outputs, states, parameters. Property (c) makes the method suitable for problems in model reduction, measurement/actuator selections, and sensitivity analysis.

Skelton, R. E.↗

Lagrangian methods in the analysis of nonlinear wave interactions in plasma

An averaged-Lagrangian method is developed for obtaining the equations which describe the nonlinear interactions of the wave (oscillatory) and background (nonoscillatory) components which comprise a continuous medium. The method applies to monochromatic waves in any continuous medium that can be described by a Lagrangian density, but is demonstrated in the context of plasma physics. The theory is presented in a more general and unified form by way of a new averaged-Lagrangian formalism which simplifies the perturbation ordering procedure. Earlier theory is extended to deal with a medium distributed in velocity space and to account for the interaction of the background with the waves. The analytic steps are systematized, so as to maximize calculational efficiency. An assessment of the applicability and limitations of the method shows that it has some definite advantages over other approaches in efficiency and versatility.

Galloway, J. J.↗

A quasi-analytical method for non-iterative computation of nonlinear controls

An optimal control solution process was developed for a general class of nonlinear dynamical systems. The method combines control theory, perturbation methods, and Van Loan's recent matrix exponential results. A variety of applications support the practical utility of this method. Nonlinear rigid body optimal maneuvers are routinely solved. Flexible body dynamical systems of an order greater than 40 were solved. The method fails occasionally due to poor convergence of the perturbation expansion or numerical difficulties associated with computing the matrix exponential. The method is attractive because it appears to be a good candidate for semi-automation; no initial guess is required, and it usually converges at 2nd or 3rd order in minutes of machine time.

Junkins, J. L.↗

Generalized energetics for linear and nonlinear symmetric instabilities

The generalized energy conservation integral is applied to linear and nonlinear symmetric instabilities (SIs) and conditional symmetric instabilities (CSIs) in uniform and nonuniform basic states. The generalized energy conservation integral for linear SI in nonuniform basic state is refined to include initial thermal-inertial perturbations. A generalized conservation integral is derived for a nonlinear SI with uniform and nonuniform basic states. The integral reveals that: (1) the stability conditions of nonlinear and linear SI are not the same; (2) when the basic state is symmetrically stable the nonlinear evolution of a symmetric disturbance is energetically bounded by its initial energy; and (3) when the basic state is symmetrically unstable the growth of the symmetric perturbation is approximated by the linear SI theory. Precipitative heating is incorporated into the generalized energy integral for nonlinear CSI; the relation between nonlinear evolution of a CSI circulation and precipitative heating is examined.

Xu, Q.↗

Cosmic rays in a random magnetic field: Breakdown of the quasilinear derivation of the kinetic equation

The problem of deriving a kinetic equation for the cosmic ray distribution function in a random magnetic field is considered. A model is adopted which is mathematically simple but which contains the essential physics. The perturbation expansion upon which the quasi-linear treatment is based is investigated. The existence of resonant particles causes the breakdown of the adiabatic approximation frequently used in this theory. Resonant particles cause a general secular growth of higher order terms in the expansion which invalidates the entire perturbative approach.

Kaiser, T. B.↗

Optimal guidance law development for an advanced launch system

The proposed investigation on a Matched Asymptotic Expansion (MAE) method was carried out. It was concluded that the method of MAE is not applicable to launch vehicle ascent trajectory optimization due to a lack of a suitable stretched variable. More work was done on the earlier regular perturbation approach using a piecewise analytic zeroth order solution to generate a more accurate approximation. In the meantime, a singular perturbation approach using manifold theory is also under current investigation. Work on a general computational environment based on the use of MACSYMA and the weak Hamiltonian finite element method continued during this period. This methodology is capable of the solution of a large class of optimal control problems.

Calise, Anthony J.↗

Quantum theory of the dielectric constant of a magnetized plasma and astrophysical applications. I.

A quantum mechanical treatment of an electron plasma in a constant and homogeneous magnetic field is considered, with the aim of (1) defining the range of validity of the magnetoionic theory (2) studying the deviations from this theory, in applications involving high densities, and intense magnetic field. While treating the magnetic field exactly, a perturbation approach in the photon field is used to derive general expressions for the dielectric tensor. Numerical estimates on the range of applicability of the magnetoionic theory are given for the case of the 'one-dimensional' electron gas, where only the lowest Landau level is occupied.

Canuto, V.↗

Stability of low-speed reacting flows

Small perturbation, linear, inviscid stability theory is developed and applied to coflowing chemically reacting jets. A necessary condition for the existence of axisymmetric and azimuthal instabilities is derived. The eigenfunction structure provides considerable insight into the underlying physical mechanism. In nonpremixed cases, high temperature tends to occur in regions where the shear layer tries to roll up; this reduces the available momentum, suppressing the growth of instabilties. It is found that chemical reaction during the growth of instabilities is unimportant, suggesting that this effect could be ignored in a viscous theory. Both nonpremixed and premixed flames in axisymmetric shear layers are generally more stable to small perturbations than in the corresponding cold case. However, while for nonpremixed flames the frequency of the most amplified wave decreases with increasing heat release, the opposite occurs for premixed cases.

Mahalingham, S.↗

Two-electron bond-orbital model, 1

Harrison's one-electron bond-orbital model of tetrahedrally coordinated solids was generalized to a two-electron model, using an extension of the method of Falicov and Harris for treating the hydrogen molecule. The six eigenvalues and eigenstates of the two-electron anion-cation Hamiltonian entering this theory can be found exactly general. The two-electron formalism is shown to provide a useful basis for calculating both non-magnetic and magnetic properties of semiconductors in perturbation theory. As an example of the former, expressions for the electric susceptibility and the dielectric constant were calculated. As an example of the latter, new expressions for the nuclear exchanges and pseudo-dipolar coefficients were calculated. A simple theoretical relationship between the dielectric constant and the exchange coefficient was also found in the limit of no correlation. These expressions were quantitatively evaluated in the limit of no correlation for twenty semiconductors.

Huang, C.↗

Long-term risk analysis associated with nuclear waste disposal in space

An assessment and verification of previous analytic results on the long term risk of earth reentry for hazardous payloads is presented. The two areas were studied: (1) stability of nominal, near-circular storage orbits in the regions between Venus and earth and between earth and Mars, and (2) probability of earth reentry for off-nominal planet-crossing orbits resulting from deployment system failures. In the first area, numerical integrations of the equations of motion are compared with stability predications based on secular perturbation theory. The agreement is good in terms of the heliocentric distances covered and the general behavior of the orbital history, although certain near-resonance situations can lead to difficulty. In the second area, a Monte Carlo simulation of orbital evolution is used and the results compared with Opik's analytic theory of planetary encounters and collision statistics, with data verified to within a close order-of-magnitude.

Friedlander, A. L.↗