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NASA NTRS1989

Modelling and design of high performance indium phosphide solar cells

A first principles pn junction device model has predicted new designs for high voltage, high efficiency InP solar cells. Measured InP material properties were applied and device parameters (thicknesses and doping) were adjusted to obtain optimal performance designs. Results indicate that p/n InP designs will provide higher voltages and higher energy conversion efficiencies than n/p structures. Improvements to n/p structures for increased efficiency are predicted. These new designs exploit the high absorption capabilities, relatively long diffusion lengths, and modest surface recombination velocities characteristic of InP. Predictions of performance indicate achievable open-circuit voltage values as high as 943 mV for InP and a practical maximum AM0 efficiency of 22.5 percent at 1 sun and 27 C. The details of the model, the optimal InP structure and the effect of individual parameter variations on device performance are presented.

Rhoads, Sandra L.↗

NASA NTRS1989

Feasibility of predicting performance degradation of airfoils in heavy rain

The heavy rain aerodynamic performance penalty program is detailed. This effort supported the design of a fullscale test program as well as examined the feasibility of estimating the degradation of performance of airfoils from first principles. The analytic efforts were supplemented by a droplet splashback test program in an attempt to observe the physics of impact and generation of ejecta. These tests demonstrated that the interaction of rain with an airfoil is a highly complex phenomenon and this interaction is not likely to be analyzed analytically with existing tools.

Bilanin, A. J.↗

NASA NTRS1988

Current driven instabilities of an electromagnetically accelerated plasma

A plasma instability that strongly influences the efficiency and lifetime of electromagnetic plasma accelerators was quantitatively measured. Experimental measurements of dispersion relations (wave phase velocities), spatial growth rates, and stability boundaries are reported. The measured critical wave parameters are in excellent agreement with theoretical instability boundary predictions. The instability is current driven and affects a wide spectrum of longitudinal (electrostatic) oscillations. Current driven instabilities, which are intrinsic to the high-current-carrying magnetized plasma of the magnetoplasmadynmic (MPD) accelerator, were investigated with a kinetic theoretical model based on first principles. Analytical limits of the appropriate dispersion relation yield unstable ion acoustic waves for T(i)/T(e) much less than 1 and electron acoustic waves for T(i)/T(e) much greater than 1. The resulting set of nonlinear equations for the case of T(i)/T(e) = 1, of most interest to the MPD thruster Plasma Wave Experiment, was numerically solved to yield a multiparameter set of stability boundaries. Under certain conditions, marginally stable waves traveling almost perpendicular to the magnetic field would travel at a velocity equal to that of the electron current. Such waves were termed current waves. Unstable current waves near the upper stability boundary were observed experimentally and are in accordance with theoretical predictions. This provides unambiguous proof of the existence of such instabilites in electromagnetic plasma accelerators.

Chouetri, E. Y.↗

NASA NTRS1989

A 3D visualization system for molecular structures

The properties of molecules derive in part from their structures. Because of the importance of understanding molecular structures various methodologies, ranging from first principles to empirical technique, were developed for computing the structure of molecules. For large molecules such as polymer model compounds, the structural information is difficult to comprehend by examining tabulated data. Therefore, a molecular graphics display system, called MOLDS, was developed to help interpret the data. MOLDS is a menu-driven program developed to run on the LADC SNS computer systems. This program can read a data file generated by the modeling programs or data can be entered using the keyboard. MOLDS has the following capabilities: draws the 3-D representation of a molecule using stick, ball and ball, or space filled model from Cartesian coordinates, draws different perspective views of the molecule; rotates the molecule on the X, Y, Z axis or about some arbitrary line in space, zooms in on a small area of the molecule in order to obtain a better view of a specific region; and makes hard copy representation of molecules on a graphic printer. In addition, MOLDS can be easily updated and readily adapted to run on most computer systems.

Green, Terry J.↗

NASA NTRS1989

A signal processing view of strip-mapping synthetic aperture radar

The authors derive the fundamental strip-mapping SAR (synthetic aperture radar) imaging equations from first principles. They show that the resolution mechanism relies on the geometry of the imaging situation rather than on the Doppler effect. Both the airborne and spaceborne cases are considered. Range processing is discussed by presenting an analysis of pulse compression and formulating a mathematical model of the radar return signal. This formulation is used to obtain the airborne SAR model. The authors study the resolution mechanism and derive the signal processing relations needed to produce a high-resolution image. They introduce spotlight-mode SAR and briefly indicate how polar-format spotlight processing can be used in strip-mapping SAR. They discuss a number of current and future research directions in SAR imaging.

Munson, David C., Jr.↗

NASA NTRS1989

Prediction and measurement of low-frequency harmonic noise of a hovering model helicopter rotor

Far-field acoustic data for a model helicopter rotor have been gathered in a large open-jet, acoustically treated wind tunnel with the rotor operating in hover and out of ground-effect. The four-bladed Boeing 360 model rotor with advanced airfoils, planform, and tip shape was run over a range of conditions typical of today's modern helicopter main rotor. Near in-plane acoustic measurements were compared with two independent implementations of classical linear theory. Measured steady thrust and torque were used together with a free-wake analysis (to predict the thrust and drag distributions along the rotor radius) as input to this first-principles theoretical approach. Good agreement between theory and experiment was shown for both amplitude and phase for measurements made in those positions that minimized distortion of the radiated acoustic signature at low-frequencies.

Aggarawal, H. R.↗

NASA NTRS1990

Ultrahigh-pressure melting of lead - A multidisciplinary study

Measurements of the melting temperatures of lead, carried out to pressures of 1 megabar and temperatures near 4000 kelvin by means of a laser-heated diamond cell are in excellent agreement with the results of previous shock-wave experiments. The data are analyzed by means of first principles quantum mechanical calculations, and the agreement documents the reliability of current experimental and theoretical techniques for studies of melting at ultrahigh pressures. These studies have potentially wide-ranging applications from planetary science to condensed matter physics.

Godwal, B. K.↗

NASA NTRS1989

The effect of ionization on the infrared absorption spectra of PAHs: A preliminary report

The emission lines observed in many interstellar IR sources at 3.28, 6.2, 7.7, 8.7, and 11.3 microns are theorized to originate from polycyclic aromatic hydrocarbons (PAHs). These assignments are based on analyses of lab IR spectra of neutral PAHs. However, it is likely that in the interstellar medium that PAHs are ionized, i.e., are positively charged. Besides, as pointed out by Allamandola et al., although the IR emission band spectrum resembles what one might expect from a mixture of PAHs, it does not match in details such as frequency, band profile, or relative intensities predicted from the absorption spectra of any known PAH molecule. One source of more information to test the PAH theory is ab initio molecular orbital theory. It can be used to compute, from first principles, the geometries, vibrational frequencies, and vibrational intensities for model PAH compounds which are difficult to study in the lab. The Gaussian 86 computer program was used to determine the effect of ionization on the infrared absorption spectra of several small PAHs: naphthalene and anthracene. A preliminary report is presented of the results of these calculations.

Defrees, Doug J.↗

NASA NTRS1991

Component mode damping assignment techniques

A relation between the system modal damping matrix and the component modal damping matrix is derived from First Principles. An optimization problem is then formulated to select all the component modes' damping ratios that best satisfy the above derived relation. A weighting matrix is used in the cost functional to stress the relative importance of the diagonal terms in the damping matrix. Inequality constraints are also added to the optimization problem to pick only nonnegative component modes' damping factors. The optimization problem may be solved algebraically or iteratively. The proposed techniques are successfully used on a high order, finite element model of the Galileo spacecraft.

Lee, Allan Y.↗

NASA NTRS1989

Incoherent scatter radar observations of the ionosphere

Incoherent scatter radar (ISR) has become the most powerful means of studying the ionosphere from the ground. Many of the ideas and methods underlying the troposphere and stratosphere (ST) radars have been taken over from ISR. Whereas the theory of refractive index fluctuations in the lower atmosphere, depending as it does on turbulence, is poorly understood, the theory of the refractivity fluctuations in the ionosphere, which depend on thermal fluctuations, is known in great detail. The underlying theory is one of the most successful theories in plasma physics, and allows for many detailed investigations of a number of parameters such as electron density, electron temperature, ion temperature, electron mean velocity, and ion mean velocity as well as parameters pertaining to composition, neutral density and others. Here, the author reviews the fundamental processes involved in the scattering from a plasma undergoing thermal or near thermal fluctuations in density. The fundamental scattering properties of the plasma to the physical parameters characterizing them from first principles. He does not discuss the observation process itself, as the observational principles are quite similar whether they are applied to a neutral gas or a fluctuating plasma.

Hagfors, Tor↗

NASA NTRS1991

RWF rotor-wake-fuselage code software reference guide

The RWF (Rotor-Wake-Fuselage) code was developed from first principles to compute the aerodynamics associated with the complex flow field of helicopter configurations. The code is sized for a single, multi-bladed main rotor and any configuration of non-lifting fuselage. The mathematical model for the RWF code is based on the integration of the momentum equations and Green's theorem. The unknowns in the problem are the strengths of prescribed singularity distributions on the boundaries of the flow. For the body (fuselage) a surface of constant strength source panels is used. For the rotor blades and rotor wake a surface of constant strength doublet panels is used. The mean camber line of the rotor airfoil is partitioned into surface panels. The no-flow boundary condition at the panel centroids is modified at each azimuthal step to account for rotor blade cyclic pitch variation. The geometry of the rotor wake is computers at each time step of the solution. The code produces rotor and fuselage surface pressures, as well as the complex geometry of the evolving rotor wake.

Berry, John D.↗

NASA NTRS1991

Numerical prediction of turbulent oscillating flow and associated heat transfer

A crucial point for further development of engines is the optimization of its heat exchangers which operate under oscillatory flow conditions. It has been found that the most important thermodynamic uncertainties in the Stirling engine designs for space power are in the heat transfer between gas and metal in all engine components and in the pressure drop across the heat exchanger components. So far, performance codes cannot predict the power output of a Stirling engine reasonably enough if used for a wide variety of engines. Thus, there is a strong need for better performance codes. However, a performance code is not concerned with the details of the flow. This information must be provided externally. While analytical relationships exist for laminar oscillating flow, there has been hardly any information about transitional and turbulent oscillating flow, which could be introduced into the performance codes. In 1986, a survey by Seume and Simon revealed that most Stirling engine heat exchangers operate in the transitional and turbulent regime. Consequently, research has since focused on the unresolved issue of transitional and turbulent oscillating flow and heat transfer. Since 1988, the University of Minnesota oscillating flow facility has obtained experimental data about transitional and turbulent oscillating flow. However, since the experiments in this field are extremely difficult, lengthy, and expensive, it is advantageous to numerically simulate the flow and heat transfer accurately from first principles. Work done at the University of Minnesota on the development of such a numerical simulation is summarized.

Koehler, W. J.↗

NASA NTRS1991

Equivalent crystal theory of alloys

Equivalent Crystal Theory (ECT) is a new, semi-empirical approach to calculating the energetics of a solid with defects. The theory has successfully reproduced surface energies in metals and semiconductors. The theory of binary alloys to date, both with first-principles and semi-empirical models, has not been very successful in predicting the energetics of alloys. This procedure is used to predict the heats of formation, cohesive energy, and lattice parameter of binary alloys of Cu, Ni, Al, Ag, Au, Pd, and Pt as functions of composition. The procedure accurately reproduces the heats of formation versus composition curves for a variety of binary alloys. The results are then compared with other approaches such as the embedded atom and lattice parameters of alloys from pure metal properties more accurately than Vegard's law is presented.

Bozzolo, Guillermo↗

NASA NTRS1991

Structure of thermal pair clouds around gamma-ray-emitting black holes

Using certain simplifying assumptions, the general structure of a quasi-spherical thermal pair-balanced cloud surrounding an accreting black hole is derived from first principles. Pair-dominated hot solutions exist only for a restricted range of the viscosity parameter. These results are applied as examples to the 1979 HEAO 3 gamma-ray data of Cygnus X-1 and the Galactic center. Values are obtained for the viscosity parameter lying in the range of about 0.1-0.01. Since the lack of synchrotron soft photons requires the magnetic field to be typically less than 1 percent of the equipartition value, a magnetic field cannot be the main contributor to the viscous stress of the inner accretion flow, at least during the high gamma-ray states.

Liang, Edison P.↗

NASA NTRS1991

Adhesion at metal interfaces

A basic adhesion process is defined, the theory of the properties influencing metallic adhesion is outlined, and theoretical approaches to the interface problem are presented, with emphasis on first-principle calculations as well as jellium-model calculations. The computation of the energies of adhesion as a function of the interfacial separation is performed; fully three-dimensional calculations are presented, and universality in the shapes of the binding energy curves is considered. An embedded-atom method and equivalent-crystal theory are covered in the framework of issues involved in practical adhesion.

Banerjea, Amitava↗

NASA NTRS1990

Universal energy relations and metal/ceramic interfaces

Known general relationships between pertinent variables are applied to investigate metal-ceramic interfaces. The adhesive energy is determined. The electronic exchange-correlation energy is found to be the dominant attractive term in the total energy. Results for the adhesive energy are obtained for junctions of all combinations of the low index surfaces of Al,Na, Mg, and Zn. This leads to a variety of curves, all with a single minimum of separation and equilibrium binding energy. Scaling results for 10 contacts fall closely onto a single curve, a universal energy relation for adhesion. The scaled chemisorption curves fall accurately on the same universal form that was found for adhesion. For the case of cohesion, all-first principle results are scaled and again all scaled curves for a variety of metals fall accurately on the universal form for adhesion and chemisorption. An intimate relationship between the energetics of solids and molecules is inferred.

Smith, John R.↗

NASA NTRS1991

Transport theory for a leaf canopy of finite-dimensional scattering centers

A formalism for photon transport in leaf canopies with finite-dimensional scattering centers that cross shade mutually is developed. Starting from first principles, expressions for the interaction cross sections are derived. The problem of illumination by a monodirectional source is studied in detail using a successive collisions approach. A balance equation is formulated in R3 and the interaction between a leaf canopy and the adjacent atmosphere is discussed. Although the details are those relating to a leaf canopy, the formalism is equally applicable to other media where the constituents cross shade mutually such as planetary surfaces, rings and ridged-ice in polar regions, i.e., media that exhibit opposition brightening.

Myneni, Ranga B.↗

NASA NTRS1992

Computational techniques in tribology and material science at the atomic level

Computations in tribology and material science at the atomic level present considerable difficulties. Computational techniques ranging from first-principles to semi-empirical and their limitations are discussed. Example calculations of metallic surface energies using semi-empirical techniques are presented. Finally, application of the methods to calculation of adhesion and friction are presented.

Ferrante, J.↗