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At least 163 records · Page 9

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NASA NTRS1992

An approximate local thermodynamic nonequilibrium radiation model for air

A radiatively coupled viscous shock layer analysis program which includes chemical and thermal nonequilibrium is used to calculate stagnation point flow profiles for typical aeroassisted orbital transfer vehicle conditions. Two methods of predicting local thermodynamic nonequilibrium radiation effects are used as a first and second order approximation to this phenomena. Tabulated results for both nitrogen and air freestreams are given with temperature, species, and radiation profiles for some air conditions. Two body solution results are shown for 45 and 60 degree hyperboloid bodies at 12 km/sec and 80 km altitude. The presented results constitute an advancement in the engineering modeling of radiating nonequilibrium reentry flows.

Gally, Thomas A.↗

NASA NTRS1992

An approximate local thermodynamic nonequilibrium radiation model for air

Gally, Thomas A.↗

NASA NTRS1993

Multiple steady states in atmospheric chemistry

The equations describing the distributions and concentrations of trace species are nonlinear and may thus possess more than one solution. This paper develops methods for searching for multiple physical solutions to chemical continuity equations and applies these to subsets of equations describing tropospheric chemistry. The calculations are carried out with a box model and use two basic strategies. The first strategy is a 'search' method. This involves fixing model parameters at specified values, choosing a wide range of initial guesses at a solution, and using a Newton-Raphson technique to determine if different initial points converge to different solutions. The second strategy involves a set of techniques known as homotopy methods. These do not require an initial guess, are globally convergent, and are guaranteed, in principle, to find all solutions of the continuity equations. The first method is efficient but essentially 'hit or miss' in the sense that it cannot guarantee that all solutions which may exist will be found. The second method is computationally burdensome but can, in principle, determine all the solutions of a photochemical system. Multiple solutions have been found for models that contain a basic complement of photochemical reactions involving O(x), HO(x), NO(x), and CH4. In the present calculations, transitions occur between stable branches of a multiple solution set as a control parameter is varied. These transitions are manifestations of hysteresis phenomena in the photochemical system and may be triggered by increasing the NO flux or decreasing the CH4 flux from current mean tropospheric levels.

Stewart, Richard W.↗

NASA NTRS1997

Predictive Modeling in Plasma Reactor and Process Design

Research continues toward the improvement and increased understanding of high-density plasma tools. Such reactor systems are lauded for their independent control of ion flux and energy enabling high etch rates with low ion damage and for their improved ion velocity anisotropy resulting from thin collisionless sheaths and low neutral pressures. Still, with the transition to 300 mm processing, achieving etch uniformity and high etch rates concurrently may be a formidable task for such large diameter wafers for which computational modeling can play an important role in successful reactor and process design. The inductively coupled plasma (ICP) reactor is the focus of the present investigation. The present work attempts to understand the fundamental physical phenomena of such systems through computational modeling. Simulations will be presented using both computational fluid dynamics (CFD) techniques and the direct simulation Monte Carlo (DSMC) method for argon and chlorine discharges. ICP reactors generally operate at pressures on the order of 1 to 10 mTorr. At such low pressures, rarefaction can be significant to the degree that the constitutive relations used in typical CFD techniques become invalid and a particle simulation must be employed. This work will assess the extent to which CFD can be applied and evaluate the degree to which accuracy is lost in prediction of the phenomenon of interest; i.e., etch rate. If the CFD approach is found reasonably accurate and bench-marked with DSMC and experimental results, it has the potential to serve as a design tool due to the rapid time relative to DSMC. The continuum CFD simulation solves the governing equations for plasma flow using a finite difference technique with an implicit Gauss-Seidel Line Relaxation method for time marching toward a converged solution. The equation set consists of mass conservation for each species, separate energy equations for the electrons and heavy species, and momentum equations for the gas. The sheath is modeled by imposing the Bohm velocity to the ions near the walls. The DSMC method simulates each constituent of the gas as a separate species which would be analogous in CFD to employing separate species mass, momentum, and energy equations. All particles including electrons are moved and allowed to collide with one another with the stipulation that the electrons remain tied to the ions consistent with the concept of ambipolar diffusion. The velocities of the electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. These benefits come at a price in terms of computational time and memory. The DSMC and CFD are made as consistent as possible by using similar chemistry and power deposition models. Although the comparison of CFD and DSMC is interesting, the main goal of this work is the increased understanding of high-density plasma flowfields that can then direct improvements in both techniques. This work is unique in the level of the physical models employed in both the DSMC and CFD for high-density plasma reactor applications. For example, the electrons are simulated in the present DSMC work which has not been done before for low temperature plasma processing problems. In the CFD approach, for the first time, the charged particle transport (discharge physics) has been self-consistently coupled to the gas flow and heat transfer.

Hash, D. B.↗

NASA NTRS2006

Solver and Turbulence Model Upgrades to OVERFLOW 2 for Unsteady and High-Speed Applications

An implicit unfactored SSOR algorithm has been added to the overset Navier-Stokes CFD code OVERFLOW 2 for unsteady and moving body applications. The HLLEM and HLLC third-order spatial upwind convective flux models have been added for high-speed flow applications. A generalized upwind transport equation has been added for solution of the two-equation turbulence models and the species equations. The generalized transport equation is solved using an unfactored SSOR implicit algorithm. Three hybrid RANS/DES turbulence models have been added for unsteady flow applications. Wall function boundary conditions that include compressibility and heat transfer effects have been also been added to OVERFLOW 2.

Nichols, Robert H.↗

NASA NTRS1985

Turbine airfoil deposition models and their hot corrosion implications

This research project deals with the prediction of single- and multi-component salt(-solution) deposition, flow and oxide dissolution and their effects on the lifetime of turbine blades. Goals include rationalizing and helping to predict corrosion patterns on operational gas turbine (GT) rotor blades and stator vanes, and ultimately providing some of the tools required to design laboratory simulators and future corrosion resistant high-performance engines. Necessary background developments are reviewed. Results and tentative conclusions for single species (Na sub 2 SO sub 4 (1)) condensation, binary salt-solution (Na sub 2 SO sub 4-K sub 2 SO sub 4) condensation, and burner-rig testing of alloy materials are outlined.

Rosner, D. E.↗

NASA NTRS2000

Competitive displacement among post-Paleozoic cyclostome and cheilostome bryozoans

Encrusting bryozoans provide one of the few systems in the fossil record in which ecological competition can be observed directly at local scales. The macroevolutionary history of diversity of cyclostome and cheilostome bryozoans is consistent with a coupled-logistic model of clade displacement predicated on species within clades interacting competitively. The model matches observed diversity history if the model is perturbed by a mass extinction with a position and magnitude analogous to the Cretaceous/Tertiary boundary event, Although it is difficult to measure all parameters in the model from fossil data, critical factors are intrinsic rates of extinction, which can be measured. Cyclostomes maintained a rather low rate of extinction, and the model solutions predict that they would lose diversity only slowly as competitively superior species of cheilostomes diversified into their environment. Thus, the microecological record of preserved competitive interactions between cyclostome and cheilostome bryozoans and the macroevolutionary record of global diversity are consistent in regard to competition as a significant influence on diversity histories of post-Paleozoic bryozoans.

NASA Discipline Exobiology↗

NASA NTRS1987

Application of a flux-split algorithm to chemically relaxing, hypervelocity blunt-body flows

Viscous, nonequilibrium, hypervelocity flow fields over two axisymmetric configurations are numerically simulated using a factored, implicit, flux-split algorithm. The governing gas-dynamic and species-continuity equations for laminar flow are presented. The gas-dynamics/nonequilibrium-chemistry coupling procedure is developed as part of the solution procedure and is described in detail. Numerical solutions are presented for hypervelocity flows over a hemisphere and over an axisymmetric aeroassisted orbital transfer vehicle using three different chemistry models. The gas models considered are those for an ideal gas, for a frozen gas, and for chemically relaxing air consisting of five species. The calculated results are compared with existing numerical solutions in the literature along the stagnation line of the hemisphere. The effects of free-stream Reynolds number on the nonequilibrium flow field are discussed.

Balakrishnan, A.↗

NASA NTRS1978

A note on the diurnal averaging of aeronomical models

An approximate technique for diurnally time-averaging atmospheric photochemical-dynamical models which eliminates the need for a detailed numerical resolution of sunrise and sunset transitions is developed. The scheme is equivalent to scaling certain chemical rate constants and photodissociation coefficients by appropriate aeronomical factors. To calculate the scaling factors, diurnal variations are parameterized with a step-function behavior, assuming that each species has a constant day-time and night-time concentration whose ratio can be determined by analyzing the chemical interactions occurring after sunset. The solution accounts for the effects of night-time reactions on the 24 h average values of species abundances, and on the average daily rates of the catalytic processes consuming ozone in the stratosphere. The accuracy of the technique is demonstrated by comparing its predictions to those of a full diurnal simulation; typically, the precision is better than 10%. By contrast, it is shown that the use of some other well-known computational schemes can result in significantly larger predictive errors.

Turco, R. P.↗

NASA NTRS1990

Interaction of minor ions with fast and slow shocks

The coronal slow shock was predicted to exist embedded in large coronal holes at 4 to 10 solar radii. A three-fluid model was used to study the jumps in minor ions propertes across the coronal slow shock. The jump conditions were formulated in the de Hoffmann-Teller frame of reference. The Rankine-Hugoniot solution determines the MHD flow and the magnetic field across the shocks. For each minor ion species, the fluid equations for the conservation of mass, momentum, and energy can be solved to determine the velocity and the temperature of the ions across the shock. A simularity solution was also obtained for heavy ions. The results show that on the downstream side of the coronal slow shock the ion temperatures are nearly proportional to the ion masses for He, O, Si, and Fe in agreement with observed ion temperatures in the inner solar wind. This indicates that the possibly existing coronal slow shock can be responsible for the observed heating of minor ions in the solar wind.

Whang, Y. C.↗

NASA NTRS1990

Heating of minor ions by the coronal slow shock

The coronal slow shock has been predicted to exist embedded in large coronal holes at 4-10 solar radii. In this paper, a three-fluid model is used to study the jumps in minor ion properties across a slow shock such as the coronal slow shock. The jump conditions are formulated in the de Hoffmann-Teller frame of reference. The Rankine-Hugoniot solution determines the MHD flow and the magnetic field across the shocks. For each minor ion species, the fluid equations for the conservation of mass, momentum, and energy can be solved to determine the velocity and the temperature of the ions across the shock. Also obtained is a similarity solution for heavy ions. The results show that, on the downstream side of the slow shock, the ion temperatures are nearly proportional to the ion masses for He, O, Si, and Fe, in agreement with observed ion temperatures in the inner solar wind. This indicates that the possibly existing coronal slow shock can be responsible for the observed heating of minor ions in the solar wind.

Whang, Y. C.↗

NASA NTRS1988

Growth of large zeolite crystals in space

Synthesis studies performed using close analogs of triethanolamine (TEA) have shown that all three hydroxyl groups and the amine group in this molecule are necessary to provide nucleation suppression. Studies using C-13 nuclear magnetic resonance (NMR) revealed that the hydroxyl ions and the amine group are involved in the formation of an aluminum complex. It was also shown that silicate species fo not interact this way with TEA in an alkaline solution. These results suggest that successful aluminum complexation leads to nucleation in zeolite-A crystallization.

Sacco, A., Jr.↗

NASA NTRS1991

On the explicit versus family solution of the fully diurnal photochemical equations of the stratosphere

The family approach used to solve chemical equations is examined by integrating a heirarchy of versions of a 2D model of stratospheric chemistry and transport on an isentropic surface. Errors of up to 20 percent in radical concentrations can result from the use of a small number of families; the use of more families increases the accuracy of the solutions. The minimum number of families which can be used to provide an accurate solution is discussed, and the parameterization of long-time-scale species is recommended for making the model more efficient. The most pervasive errors are found in calculations of the concentrations of radical species, a problem which can lead to errors in predicting O3 over the long run. Methods for improving the schemes are presented, emphasizing the possibility of producing an improved 3D model.

Austin, John↗

NASA NTRS2010

Modeling of Alkane Oxidation Using Constituents and Species

It is currently not possible to perform simulations of turbulent reactive flows due in particular to complex chemistry, which may contain thousands of reactions and hundreds of species. This complex chemistry results in additional differential equations, making the numerical solution of the equation set computationally prohibitive. Reducing the chemical kinetics mathematical description is one of several important goals in turbulent reactive flow modeling. A chemical kinetics reduction model is proposed for alkane oxidation in air that is based on a parallel methodology to that used in turbulence modeling in the context of the Large Eddy Simulation. The objective of kinetic modeling is to predict the heat release and temperature evolution. This kinetic mechanism is valid over a pressure range from atmospheric to 60 bar, temperatures from 600 K to 2,500 K, and equivalence ratios from 0.125 to 8. This range encompasses diesel, HCCI, and gas-turbine engines, including cold ignition. A computationally efficient kinetic reduction has been proposed for alkanes that has been illustrated for n-heptane using the LLNL heptane mechanism. This model is consistent with turbulence modeling in that scales were first categorized into either those modeled or those computed as progress variables. Species were identified as being either light or heavy. The heavy species were decomposed into defined 13 constituents, and their total molar density was shown to evolve in a quasi-steady manner. The light species behave either in a quasi-steady or unsteady manner. The modeled scales are the total constituent molar density, Nc, and the molar density of the quasi-steady light species. The progress variables are the total constituent molar density rate evolution and the molar densities of the unsteady light species. The unsteady equations for the light species contain contributions of the type gain/loss rates from the heavy species that are modeled consistent with the developed mathematical forms for the total constituent molar density rate evolution; indeed, examination of these gain/loss rates shows that they also have a good quasi-steady behavior with a functional form resembling that of the constituent rate. This finding highlights the fact that the fitting technique provides a methodology that can be repeatedly used to obtain an accurate representation of full or skeletal kinetic models. Assuming success with the modified reduced model, the advantage of the modeling approach is clear. Because this model is based on the Nc rate rather than on that of individual heavy species, even if the number of species increases with increased carbon number in the alkane group, providing that the quasi-steady rate aspect persists, then extension of this model to higher alkanes should be conceptually straightforward, although it remains to be seen if the functional fits would remain valid or would require reconstruction.

Bellan, Jasette↗

NASA NTRS1998

Surface Passivation of CdZnTe Detector by Hydrogen Peroxide Solution Etching

The spectral resolution of room temperature nuclear radiation detectors such as CdZnTe is usually limited by the presence of conducting surface species that increase the surface leakage current. Studies have shown that the leakage current can be reduced by proper surface preparation. In this study, we try to optimize the performance of CdZnTe detector by etching the detector with hydrogen peroxide solution as function of concentration and etching time. The passivation effect that hydrogen peroxide introduces have been investigated by current-voltage (I-V) measurement on both parallel strips and metal-semiconductor-metal configurations. The improvements on the spectral response of Fe-55 and 241Am due to hydrogen peroxide treatment are presented and discussed.

Hayes, M.↗

NASA NTRS1993

Stagnation flowfield analysis for an aeroassisted vehicle

Hypersonic reactive flowfield results are presented for the flow about an axisymmetric representation of a three-dimensional aeroassisted vehicle using the viscous shock-layer (VSL) and Navier-Stokes (NS) equations for low- and high-altitude entry conditions, respectively. Solutions are limited to the stagnation region. The NS results have been obtained by employing the surface recombination boundary condition for an 11-species air model, whereas the VSL calculations are carried out by using a 5-species model. Three widely used surface recombination rate models are implemented with these two flowfield calculation procedures. The low-density (or high altitude) NS solutions are obtained with surface slip equations and compare quite well with the direct simulation Monte Carlo predictions. For higher densities (or lower altitudes), the no-slip VSL solutions are considered adequate. Results from this study highlight the effect of surface catalyticity on surface heating and electron number density.

Gupta, Roop N.↗

NASA NTRS1977

Prediction of hydrodynamics and chemistry of confined turbulent methane-air flames with attention to formation of oxides of nitrogen

A formulation of the governing partial differential equations for fluid flow and reacting chemical species in a tubular combustor is presented. A numerical procedure for the solution of the governing differential equations is described, and models for chemical equilibrium and chemical kinetics calculations are presented. The chemical equilibrium model is used to characterize the hydrocarbon reactions. The chemical kinetics model is used to predict the concentrations of the oxides of nitrogen. The combustor consists of a cylindrical duct of varying cross sections with concentric streams of gaseous fuel and air entering the duct at one end. Four sample cases with specified inlet and boundary conditions are considered, and the results are discussed

Elghobashi, S.↗

NASA NTRS1979

Combustor modelling for scramjet engines

A system of computer programs is being developed to analyse and predict the complex flow fields found in hydrogen-fueled scramjet combustors. Each program is designed to solve the governing equation system for the type of flow present in a particular combustor region. A two-dimensional parabolic program has been found to be valuable in the development and experimental evaluation of turbulence and chemistry models for supersonic flow, and in the development of a program to model supersonic flow downstream of the fuel injection struts by means of solutions to the three-dimensional parabolic Navier-Stokes equations and species equations. A partially elliptic code has been derived to account for local subsonic flow regions, and fully elliptic programs have been developed by the consideration of streamwise diffusion effects for the recirculating flow fields near transverse fuel injectors. The programs are currently being applied to problems of scramjet engine development.

Drummond, J. P.↗