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NASA NTRS1993

Non-stationary and non-linear dispersive medium as external field which generates the squeezed states

The theory of quantum effects in nonlinear dielectric media is developed. The nonlinear dielectric media is influenced by an external pumping field. The diagonalization of the Hamiltonian of a quantized field is obtained by the canonical Bogoliubov transformations. The transformations allow us to obtain the general expressions for the number of created photons and for the degree of squeezing. In the case of a plane pumping wave, for example, the results are calculated by using the zero order of the secular perturbation theory, with small parameters characterizing the medium nonlinearity. The Heisenberg equations of motion are obtained for non-stationary case and a commonly used Hamiltonian is derived from the first principles of quantum electrodynamics.

Lobashov, A. A.↗

NASA NTRS1993

Scattering calculations and confining interactions

Most of the research work performed under this grant were concerned with strong interaction processes ranging from kaon-nucleon interaction to proton-nucleus scattering calculations. Research performed under this grant can be categorized into three groups: (1) parametrization of fundamental interactions, (2) development of formal theory, and (3) calculations based upon the first two. Parametrizations of certain fundamental interactions, such as kaon-nucleon interaction, for example, were necessary because kaon-nucleon scattering amplitude was needed to perform kaon-nucleus scattering calculations. It was possible to calculate kaon-nucleon amplitudes from the first principle, but it was unnecessary for the purpose of the project. Similar work was also done for example for anti-protons and anti-nuclei. Formal developments to some extent were also pursued so that consistent calculations can be done.

Buck, Warren W.↗

NASA NTRS1993

Vibrational relaxation in hypersonic flow fields

Mathematical formulations of vibrational relaxation are derived from first principles for application to fluid dynamic computations of hypersonic flow fields. Relaxation within and immediately behind shock waves is shown to be substantially faster than that described in current numerical codes. The result should be a significant reduction in nonequilibrium radiation overshoot in shock layers and in radiative heating of hypersonic vehicles; these results are precisely the trends needed to bring theoretical predictions more in line with flight data. Errors in existing formulations are identified and qualitative comparisons are made.

Meador, Willard E.↗

NASA NTRS1993

Detection of traveling ionospheric disturbances induced by atmospheric gravity waves using the global positioning system

Natural and man-made events like earthquakes and nuclear explosions launch atmospheric gravity waves (AGW) into the atmosphere. Since the particle density decreases exponentially with height, the gravity waves increase exponentially in amplitude as they propagate toward the upper atmosphere and ionosphere. As atmospheric gravity waves approach the ionospheric heights, the neutral particles carried by gravity waves collide with electrons and ions, setting these particles in motion. This motion of charged particles manifests itself by wave-like fluctuations and disturbances that are known as traveling ionospheric disturbances (TID). The perturbation in the total electron content due to TID's is derived analytically from first principles. Using the tilted dipole magnetic field approximation and a Chapman layer distribution for the electron density, the variations of the total electron content versus the line-of-sight direction are numerically analyzed. The temporal variation associated with the total electron content measurements due to AGW's can be used as a means of detecting characteristics of the gravity waves. As an example, detection of tsunami generated earthquakes from their associated atmospheric gravity waves using the Global Positioning System is simulated.

Bassiri, Sassan↗

NASA NTRS1993

The IRGen infrared data base modeler

IRGen is a modeling system which creates three-dimensional IR data bases for real-time simulation of thermal IR sensors. Starting from a visual data base, IRGen computes the temperature and radiance of every data base surface with a user-specified thermal environment. The predicted gray shade of each surface is then computed from the user specified sensor characteristics. IRGen is based on first-principles models of heat transport and heat flux sources, and it accurately simulates the variations of IR imagery with time of day and with changing environmental conditions. The starting point for creating an IRGen data base is a visual faceted data base, in which every facet has been labeled with a material code. This code is an index into a material data base which contains surface and bulk thermal properties for the material. IRGen uses the material properties to compute the surface temperature at the specified time of day. IRGen also supports image generator features such as texturing and smooth shading, which greatly enhance image realism.

Bernstein, Uri↗

NASA NTRS1994

Modelling of Surfaces. Part 1: Monatomic Metallic Surfaces Using Equivalent Crystal Theory

We present a detailed description of equivalent crystal theory focusing on its application to the study of surface structure. While the emphasis is in the structure of the algorithm and its computational aspects, we also present a comprehensive discussion on the calculation of surface energies of metallic systems with equivalent crystal theory and other approaches. Our results are compared to experiment and other semiempirical as well as first-principles calculations for a variety of fcc and bcc metals.

Bozzolo, Guillermo↗

NASA NTRS1993

Component modes damping assignment methodology for articulated, multiflexible body structures

To simulate the dynamical motion of articulated, multiflexible body structures, one can use multibody simulation packages such as DISCOS. To this end, one must supply appropriate reduced-order models for all of the flexible components involved. The component modes projection and assembly model reduction (COMPARE) methodology is one way to construct these reduced-order component models, which when reassembled capture important system input-to-output mapping of the full-order model at multiple system configurations of interest. In conjunction, we must also supply component damping matrices which when reassembled generate a system damping matrix that has certain desirable properties. The problem of determining the damping factors of components' modes to achieve a given system damping matrix is addressed here. To this end, we must establish from first principles a matrix-algebraic relation between the system's modal damping matrix and the components' modal damping matrices. An unconstrained/constrained optimization problem can then be formulated to determine the component modes' damping factors that best satisfy that matrix-algebraic relation. The effectiveness of the developed methodology, called ModeDamp, has been successfully demonstrated on a high-order, finite element model of the Galileo spacecraft.

Lee, Allan Y.↗

NASA NTRS1994

Decoherence and dissipation for a quantum system coupled to a local environment

Decoherence and dissipation in quantum systems has been studied extensively in the context of Quantum Brownian Motion. Effective decoherence in coarse grained quantum systems has been a central issue in recent efforts by Zurek and by Hartle and Gell-Mann to address the Quantum Measurement Problem. Although these models can yield very general classical phenomenology, they are incapable of reproducing relevant characteristics expected of a local environment on a quantum system, such as the characteristic dependence of decoherence on environment spatial correlations. I discuss the characteristics of Quantum Brownian Motion in a local environment by examining aspects of first principle calculations and by the construction of phenomenological models. Effective quantum Langevin equations and master equations are presented in a variety of representations. Comparisons are made with standard results such as the Caldeira-Leggett master equation.

Gallis, Michael R.↗

NASA NTRS1994

Theoretical studies of spectroscopic problems of importance for atmospheric radiation measurements

Many of the instruments used to deduce the physical parameters of the Earth's atmosphere necessary for climate studies or for pollution monitoring (for instance, temperature versus pressure or number densities of trace molecules) rely on the existence of accurate spectroscopic data and an understanding of the physical processes responsible for the absorption or emission of radiation. During the summer, research was either continued or begun on three distinct problems: (1) an improved theoretical framework for the calculation of the far-wing absorption of allowed spectral lines; (2) a refinement of the calculation of the collision-induced fundamental spectrum of N2; and (3) an investigation of possible line-mixing effects in the fundamental spectrum of CH4. Progress in these three areas is summarized below. During the past few years, we have developed a theoretical framework for the calculation of the absorption of radiation by the far wings of spectral lines. Such absorption due to water vapor plays a crucial role in the greenhouse effect as well as limiting the retrieval of temperature profiles from satellite data. Several improvements in the theory have been made and the results are being prepared for publication. Last year we published results for the theoretical calculation of the absorption of radiation due to the dipoles induced during binary collisions of N2 molecules using independently measured molecular parameters; the results were in reasonable agreement with experimental data. However, recent measurements have revealed new fine structure that has been attributed to line-mixing effects. We do not think that this is correct, rather that the structure results from short-range anisotropic dipoles. We are in the process of including this refinement in our theoretical calculation in order to compare with the new experimental data. Subtle changes in the spectra of CH4 measured by researchers at Langley have also been attributed to line-mixing effects. By analyzing the same spectral lines we have attempted to verify or rule out possible line-mixing mechanisms. Due to the complexity and richness of the spectrum of this highly symmetric molecule, as well as the small magnitude of the effects, a detailed first-principle calculation of the mixing is a difficult problem. Before such a program is undertaken it is important to glean as much information as possible concerning the possible mechanisms by a systematic analysis of the existing data.

Tipping, Richard H.↗

NASA NTRS1995

Model-based monitoring and diagnosis of a satellite-based instrument

For about a decade model-based reasoning has been propounded by a number of researchers. Maybe one of the most convincing arguments in favor of this kind of reasoning has been given by Davis in his paper on diagnosis from first principles (Davis 1984). Following their guidelines we have developed a system to verify the behavior of a satellite-based instrument GOME (which will be measuring Ozone concentrations in the near future (1995)). We start by giving a description of model-based monitoring. Besides recognizing that something is wrong, we also like to find the cause for misbehaving automatically. Therefore, we show how the monitoring technique can be extended to model-based diagnosis.

Bos, Andre↗

NASA NTRS1994

Structure of supersonic jet flow and its radiated sound

The present paper explores the use of large-eddy simulations as a tool for predicting noise from first principles. A high-order numerical scheme is used to perform large-eddy simulations of a supersonic jet flow with emphasis on capturing the time-dependent flow structure representating the sound source. The wavelike nature of this structure under random inflow disturbances is demonstrated. This wavelike structure is then enhanced by taking the inflow disturbances to be purely harmonic. Application of Lighthill's theory to calculate the far-field noise, with the sound source obtained from the calculated time-dependent near field, is demonstrated. Alternative approaches to coupling the near-field sound source to the far-field sound are discussed.

Mankbadi, Reda R.↗

NASA NTRS1995

Interpretation of Dynamics Explorer far UV images of the quiet time thermosphere

A selected set of far ultra violet images of Earth have been analyzed quanitatively to establish their validity for studying thermospheric weather. The set of images chosen for the study was restricted to mostly geomagnetically quiet conditions in order to obtain a baseline understanding of the relationship between the observations and thermospheric phenomenology. The images included low to modrerate solar activity levels. A new model was developed to generate global dayglow images using first principles methods. The mass Spectrometer/incoherent scatter (MSIS-86) model was used to predict the thermospheric concentrations. The analyses of thermospheric images observed in the 123 to 160-nm nominal passband show that the spectral composition for observations on the projected earth disk is dominated by O I 130.4-nm radiation (85-90%), with concentrations from O I 135.6-nm and N2 Lyman-Birge-Hopefield (LBH) bands of about 5-8% each. The synthetic images reproduce the global features of the observed images rather well. Differences between the model and the data are attributed to real atmospheric effects, such as atomic oxygen depletions which are not well reproduced by the MSIS model when geomagnetic activity is elevated. The absoute values recorded were 38-54% higher than predicted. We attribute this discrepancy to low values of the solar extreme ultraviolet irradiances used in the model. Images obtained in the 136 to 165-nm nominal passband are a factor of 2.7 greater than the model. The excess signal observed is most likely due to a long wavelength tail in the instrument sensitivity which allowed Rayleigh scattered sunlight between 180and 250nm to be detected. The understanding of the Dynamics Explorer (DE 1) images gained by this study provides the basis for future work on the global response of the theremosphere to geomagnetic forcing.

Meier, R. R.↗

NASA NTRS1995

Modeling of collision-induced infrared absorption spectra of H2 pairs in the first overtone band at temperatures from 20 to 500 K

A simple formalism is presented that permits quick computations of the low-resolution, rotovibrational collision-induced absorption (RV CIA) spectra of H2 pairs in the first overtone band of hydrogen, at temperatures from 20 to 500 K. These spectra account for the free-free transitions. The sharp dimer features, originating from the bound-free, free-bound, and bound-bound transitions are ignored, though their integrated intensities are properly accounted for. The method employs spectral model line- shapes with parameters computed from the three lowest spectral moments. The moments are obtained from first principles expressed as analytical functions of temperature. Except for the sharp dimer features, which are absent in this model, the computed spectra reproduce closely the results of exact quantum mechanical lineshape computations. Comparisons of the computed spectra with existing experimental data also show good agreement. The work interest for the modeling of the atmospheres of the outer planets in the near-infrared region of the spectrum. The user-friendly Fortran program developed here is available on request from the authors.

Zheng, Chunguang↗

NASA NTRS1992

Interfacial shear modeling and flow predictions for internal film condesation flows

Internal flow of pure vapor experiencing film condesation on the walls of a straight duct is studied. The commonly occuring case of turbulent (or laminar) vapor flow in the core and laminar flow of the liquid condensate-with or without waves on the interface-is emphasized. We propose and implement a new first principle methodolgy which model interfacial shear with the help of reliable experimental data on heat transfer rates. Other details of the flow are predicted with the help of this model. These predictions are shown to be in agreement with relevant experimental data. Correlations for film thickness and heat transfer rates are also given.

Narain, A.↗

NASA NTRS1995

Controlled-Root Approach To Digital Phase-Locked Loops

Performance tailored more flexibly and directly to satisfy design requirements. Controlled-root approach improved method for analysis and design of digital phase-locked loops (DPLLs). Developed rigorously from first principles for fully digital loops, making DPLL theory and design simpler and more straightforward (particularly for third- or fourth-order DPLL) and controlling performance more accurately in case of high gain.

Stephens, Scott A.↗

NASA NTRS1995

Electronic structure and the van Hove singularity scenario in high-T(sub c)H(g)Ba2CuO(4+delta) superconductors

The electronic structure and the hole concentrations in the high Tc superconductor HgBa2CuO(4+delta) (delta = O, 1) has been investigated by employing a first principles full potential self-consistent LMTO method with the local density functional theory. The scalar relativistic effects have been considered. The hole concentrations of the Cu-d and O-p(x,y) orbitals are seen to be larger for the HgBaCuO5 system than those of the HgBaCuO4 solid. However, the van Hove singularity (vHs) induced Cu-d and O-p peak which is seen to lie comparatively away and above the Fermi level in the delta = 1 system shifts towards the Fermi level in the delta = 0 system. Thus, the superconducting behavior appears to originate from the occurrence of the vHs peak at the Fermi level. The Fermi surface nesting area in the delta = 0 compound is seen to be larger than in the delta = 1 compound. The calculation reveals that the increase in pressure on the crystal enhances the hole concentrations but without showing any optimum value, On the other hand, the vHs peak approaches to-wards the Fermi level with pressure and crosses the Fermi surface near V/Vo approximately equals 0.625 (V and Vo are the crystal volumes at high and normal pressures, respectively). Our calculated value of the bulk modulus equal to 0.626 Mbar predicts the occurrence of this crossover at about 24 GPa which is in complete agreement with the experimental value. At this pressure the compound has maximum nesting area and self-doped behavior.

Agrawal, Bal K.↗

NASA NTRS1995

Structural, dynamical and electronic properties of CaCuO2

The scalar relativistic version of an accurate first principles full potential self-consistent linearized muffin tin orbital (LMTO) method has been employed for describing the physical properties of the parent system of the high-T(sub c) oxide superconductors, i.e., CaCuO2. The presently employed modified version of the LMTO method is quite fast and goes beyond the usual LMTO ASA method in the sense that it permits a completely general shape of the potential and the charge density. Also, in contrast to LMTO ASA, the present method is also capable of treating distorted lattice structures accurately. The calculated values of the lattice parameters of pure CaCuO2 lie within 3% of the experimentally measured values for the Sr-doped system Ca(0.86)Sr(0.14)CuO(2). The computed electronic structures and the density of states is quite similar to those of the other oxide superconductors, except of their three- dimensional character because of the presence of strong coupling between the closely spaced CuO2 layers. The van Hove singularity peak appears slightly below the Fermi level and a small concentration of oxygenation /or/ substitutional doping may pin it at the Fermi level. The calculated frequencies for some symmetric frozen phonons for undoped CaCuO2 are quite near to the measured data for the Sr-doped CaCuO2.

Agrawal, Bal K.↗

NASA NTRS1995

Nozzle flow with vibrational nonequilibrium

This research concerns the modeling and numerical solutions of the coupled system of compressible Navier-Stokes equations in cylindrical coordinates under conditions of equilibrium and nonequilibrium thermodynamics. The problem considered was the modeling of a high temperature diatomic gas N2 flowing through a converging-diverging high expansion nozzle. The problem was modeled in two ways. The first model uses a single temperature with variable specific heats as functions of this temperature. For the second model we assume that the various degrees of freedom all have a Boltzmann distribution and that there is a continuous redistribution of energy among the various degrees of freedom as the gas passes through the nozzle. Each degree of freedom is assumed to have its own temperature and, consequently, each system state can be characterized by these temperatures. This suggests that formulation of a second model with a vibrational degree of freedom along with a rotational-translation degree of freedom, each degree of freedom having its own temperature. Initially the vibrational degree of freedom is excited by heating the gas to a high temperature. As the high temperature gas passes through the nozzle throat there is a sudden drop in temperature along with a relaxation time for the vibrational degree of freedom to achieve equilibrium with the rotational-translation degree of freedom. That is, we assume that the temperature change upon passing through the throat is so great that the changes in the vibrational degree of freedom occur at a much slower pace and consequently lags behind the rotational-translational energy changes. This lag results in a finite relaxation time. In this context the term nonequilibrium is used to denote the fact that the energy content of the various degrees of freedom are characterized by two temperatures. We neglect any chemical reactions which could also add nonequilibrium effects. We develop the energy equations for the nonequilibrium model from first principles. The resulting equations, which model the nozzle flow, can be expressed in various forms. In most forms the resulting equations are coupled systems of nonlinear partial differential equations subject to certain boundary conditions. To solve the resulting coupled system of nonlinear partial differential equations, several numerical techniques were investigated: (1) the explicit MacCormack method, (2) the explicit-implicit MacCormack method, (3) the method of operator splitting, (4) factorization schemes, and (5) the Steger-Warming scheme.

Heinbockel, J. H.↗