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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

An investigation of the solar zenith angle variation of D-region ionization

Model calculations are carried out with a view to interpreting the solar zenith angle variation of D-region ionization. A model is developed for the neutral chemistry including the transport terms relating to molecular and eddy diffusion. The diurnal behavior is described of the minor neutral constituents formed in an oxygen-hydrogen-nitrogen atmosphere, in the height interval between 30 and 120 km. Computations carried out for two cases of the eddy diffusion coefficients models indicate that the constituents which are important for the D-region positive-ion chemistry do not show a significant variation with zenith angle for values up to 75 deg over the D-region heights. In the ion chemistry model, ion-pair production rates are calculated for solar X-rays between 1 A and 100 A, EUV radiations from 100 A up to the Lyman-alpha line, precipitating electrons, and galactic cosmic rays. The solar zenith angle variation of the positive-ion composition, negative-ion composition, and the electron densities are described up to 75 deg zenith angle, in the height interval between 60 and 100 km.

Ratnasiri, P. A. J.↗
NASA NTRS2006

Computations of Viking Lander Capsule Hypersonic Aerodynamics with Comparisons to Ground and Flight Data

Comparisons are made between the LAURA Navier-Stokes code and Viking Lander Capsule hypersonic aerodynamics data from ground and flight measurements. Wind tunnel data are available for a 3.48 percent scale model at Mach 6 and a 2.75 percent scale model at Mach 10.35, both under perfect gas air conditions. Viking Lander 1 aerodynamics flight data also exist from on-board instrumentation for velocities between 2900 and 4400 m/sec (Mach 14 to 23.3). LAURA flowfield solutions are obtained for the geometry as tested or flown, including sting effects at tunnel conditions and finite-rate chemistry effects in flight. Using the flight vehicle center-of-gravity location (trim angle approx. equals -11.1 deg), the computed trim angle at tunnel conditions is within 0.31 degrees of the angle derived from Mach 6 data and 0.13 degrees from the Mach 10.35 trim angle. LAURA Mach 6 trim lift and drag force coefficients are within 2 percent of measured data, and computed trim lift-to-drag ratio is within 4 percent of the data. Computed trim lift and drag force coefficients at Mach 10.35 are within 5 percent and 3 percent, respectively, of wind tunnel data. Computed trim lift-to-drag ratio is within 2 percent of the Mach 10.35 data. Using the nominal density profile and center-of-gravity location, LAURA trim angle at flight conditions is within 0.5 degrees of the total angle measured from on-board instrumentation. LAURA trim lift and drag force coefficients at flight conditions are within 7 and 5 percent, respectively, of the flight data. Computed trim lift-to-drag ratio is within 4 percent of the data. Computed aerodynamics sensitivities to center-of-gravity location, atmospheric density, and grid refinement are generally small. The results will enable a better estimate of aerodynamics uncertainties for future Mars entry vehicles where non-zero angle-of-attack is required.

Edquist, Karl T.↗
NASA NTRS1977

Aspects of turbulent combustion

A complete second-order closure program for the investigation of chemically reacting turbulent flowfields is being developed. Many of the turbulence models being used have been developed and tested during previous studies of a variety of incompressible and compressible shear flows. A number of additional scalar correlations have to be modeled for chemically reacting flows, and a 'typical eddy' model has been developed for the joint probability density function for all the scalars. A simpler model in which higher-order scalar correlations are set zero is also being used. The program has been recently extended to multi-species, multi-step chemical reactions. Computations have been performed using the second-order closure program to study the turbulence-chemistry interaction in DF chemical laser flows and in a hydrogen-air diffusion flame. The results demonstrate the importance of the inclusion of the concentration and temperature fluctuation correlations in turbulent reacting flows.

Varma, A. K.↗
NASA NTRS1991

A two-equation turbulence model for compressible reacting flows

A two-equation turbulence model (k-epsilon) has been modified to model compressible reacting flows. A compressibility correction model based on modeling the dilatational terms in the Reynolds stress equations has been used. Computations are carried out using the Navier-Stokes solver SPARK which includes a finite rate chemistry model for hydrogen-air combustion. Initially, planar compressible mixing layers are simulated. Comparisons of the predictions with available experimental data and the predictions of a compressible Reynolds stress closure indicate that the model is well suited for the study of such flows. The decrease in the growth rate of the mixing layer with increasing convective Mach number is well predicted. The model is then tested on a three-dimensional supersonic flow problem where solid boundaries are present. An axisymmetric nonreacting mixing layer flow involving dissimilar gases is evaluated next using the model and the predictions are compared with available experimental data. Finally, two reacting turbulent flow configurations have been studied and comparison of predictions and experimental data has been done. The comparisons indicate that the model predicts the overall features of the test cases very well.

Narayan, J. R.↗
NASA NTRS1991

Validation of chemistry models employed in a particle simulation method

The chemistry models employed in a statistical particle simulation method, as implemented in the Intel iPSC/860 multiprocessor computer, are validated and applied. Chemical relaxation of five-species air in these reservoirs involves 34 simultaneous dissociation, recombination, and atomic-exchange reactions. The reaction rates employed in the analytic solutions are obtained from Arrhenius experimental correlations as functions of temperature for adiabatic gas reservoirs in thermal equilibrium. Favorable agreement with the analytic solutions validates the simulation when applied to relaxation of O2 toward equilibrium in reservoirs dominated by dissociation and recombination, respectively, and when applied to relaxation of air in the temperature range 5000 to 30,000 K. A flow of O2 over a circular cylinder at high Mach number is simulated to demonstrate application of the method to multidimensional reactive flows.

Haas, Brian L.↗
NASA NTRS1998

Modeling Intermolecular Interactions in Nanotubes, Fullerenes and Graphite using a New Long-Range Potential

The cohesive energy and compressibility of strands of a single-wall nanotube rope has been computed using a new long-range potential energy function derived from accurate ab initio quantum chemistry calculations of the benzene dimer and calibrated for energetic and mechanical properties of graphite (at pressures up to 12 GPa). We also use this potential to calculate a variety of properties of carbon nanotubes (both single- and multi-wall) and fullerenes. Extensive comparisons are made with previously published potentials.

Jaffe, Richard↗
NASA NTRS2003

Quadrature Moments Method for the Simulation of Turbulent Reactive Flows

A sub-filter model for reactive flows, namely the DQMOM model, was formulated for Large Eddy Simulation (LES) using the filtered mass density function. Transport equations required to determine the location and size of the delta-peaks were then formulated for a 2-peak decomposition of the FDF. The DQMOM scheme was implemented in an existing structured-grid LES solver. Simulations of scalar shear layer using an experimental configuration showed that the first and second moments of both reactive and inert scalars are in good agreement with a conventional Lagrangian scheme that evolves the same FDF. Comparisons with LES simulations performed using laminar chemistry assumption for the reactive scalar show that the new method provides vast improvements at minimal computational cost. Currently, the DQMOM model is being implemented for use with the progress variable/mixture fraction model of Pierce. Comparisons with experimental results and LES simulations using a single-environment for the progress-variable are planned. Future studies will aim at understanding the effect of increase in environments on predictions.

Raman, Venkatramanan↗
NASA NTRS2012

Non-Equilibrium Properties from Equilibrium Free Energy Calculations

Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

Pohorille, Andrew↗
NASA NTRS2015

Materials Characterization of Electron Beam Melted Ti-6Al-4V

An in-depth material characterization of Electron Beam Melted (EBM) Ti-6Al-4V material has been completed. Hot Isostatic Pressing (HIP) was utilized to close porosity from fabrication and also served as a material heat treatment to obtain the desired microstructure. The changes in the microstructure and chemistry from the powder to pre-HIP and post-HIP material have been analyzed. Computed tomography (CT) scans indicated porosity closure during HIP and high-density inclusions scattered throughout the specimens. The results of tensile and high cycle fatigue (HCF) testing are compared to conventional Ti-6Al-4V. The EBM Ti-6Al-4V had similar or superior mechanical properties compared to conventionally manufactured Ti-6Al-4V.

Titanium↗
NASA NTRS1995

Computations of Axisymmetric Flows in Hypersonic Shock Tubes

A time-accurate two-dimensional fluid code is used to compute test times in shock tubes operated at supersonic speeds. Unlike previous studies, this investigation resolves the finer temporal details of the shock-tube flow by making use of modern supercomputers and state-of-the-art computational fluid dynamic solution techniques. The code, besides solving the time-dependent fluid equations, also accounts for the finite rate chemistry in the hypersonic environment. The flowfield solutions are used to estimate relevant shock-tube parameters for laminar flow, such as test times, and to predict density and velocity profiles. Boundary-layer parameters such as bar-delta(sub u), bar-delta(sup *), and bar-tau(sub w), and test time parameters such as bar-tau and particle time of flight t(sub f), are computed and compared with those evaluated by using Mirels' correlations. This article then discusses in detail the effects of flow nonuniformities on particle time-of-flight behind the normal shock and, consequently, on the interpretation of shock-tube data. This article concludes that for accurate interpretation of shock-tube data, a detailed analysis of flowfield parameters, using a computer code such as used in this study, must be performed.

Sharma, Surendra P.↗
NASA NTRS2012

AdapChem

AdapChem software enables high efficiency, low computational cost, and enhanced accuracy on computational fluid dynamics (CFD) numerical simulations used for combustion studies. The software dynamically allocates smaller, reduced chemical models instead of the larger, full chemistry models to evolve the calculation while ensuring the same accuracy to be obtained for steady-state CFD reacting flow simulations. The software enables detailed chemical kinetic modeling in combustion CFD simulations. AdapChem adapts the reaction mechanism used in the CFD to the local reaction conditions. Instead of a single, comprehensive reaction mechanism throughout the computation, a dynamic distribution of smaller, reduced models is used to capture accurately the chemical kinetics at a fraction of the cost of the traditional single-mechanism approach.

Oluwole, Oluwayemisi O.↗
NASA NTRS2005

Transient Three-Dimensional Analysis of Nozzle Side Load in Regeneratively Cooled Engines

Three-dimensional numerical investigations on the start-up side load physics for a regeneratively cooled, high-aspect-ratio nozzle were performed. The objectives of this study are to identify the three-dimensional side load physics and to compute the associated aerodynamic side load using an anchored computational methodology. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics formulation, and a transient inlet condition based on an engine system simulation. Computations were performed for both the adiabatic and cooled walls in order to understand the effect of boundary conditions. Finite-rate chemistry was used throughout the study so that combustion effect is always included. The results show that three types of shock evolution are responsible for side loads: generation of combustion wave; transitions among free-shock separation, restricted-shock separation, and simultaneous free-shock and restricted shock separations; along with oscillation of shocks across the lip. Wall boundary conditions drastically affect the computed side load physics: the adiabatic nozzle prefers free-shock separation while the cooled nozzle favors restricted-shock separation, resulting in higher peak side load for the cooled nozzle than that of the adiabatic nozzle. By comparing the computed physics with those of test observations, it is concluded that cooled wall is a more realistic boundary condition, and the oscillation of the restricted-shock separation flow pattern across the lip along with its associated tangential shock motion are the dominant side load physics for a regeneratively cooled, high aspect-ratio rocket engine.

Wang, Ten-See↗
NASA NTRS1990

Modification of the PARC Navier-Stokes Code to predict rocket engine nozzle performance

The PARC2D Navier-Stokes Code was modified to compute the performance parameters for rocket engine nozzles. The perfect gas code was applied to the SSME engine nozzle for inviscid, laminar and turbulent flow. Inviscid computations compare well with Rocketdyne computations. Performance degradation due to the boundary layers is very reasonable. Application of the code to nontraditional nozzle geometries and to low Reynolds nozzles is demonstrated. Modification of the code for equilibrium H2/O2 chemistry is described. Thermodynamic and equilibrium constants are determined from statistical mechanics and the transport properties from exact kinetic theory, using collison integrals determined from appropriate intermolecular potentials. The equilibrium code was used to compute the SSME flowfield. Modifications of the flowfield due to the change of composition are described.

Collins, Frank G.↗
NASA NTRS1994

Stratospheric aerosol acidity, density, and refractive index deduced from SAGE 2 and NMC temperature data

Water vapor concentrations obtained by the Stratospheric Aerosol and Gas Experiment 2 (SAGE 2) and collocated temperatures provided by the National Meteorological Center (NMC) from 1986 to 1990 are used to deduce seasonally and zonally averaged acidity, density, and refractive index of stratospheric aerosols. It is found that the weight percentage of sulfuric acid in the aerosols increases from about 60 just above the tropopause to about 86 at 35 km. The density increases from about 1.55 to 1.85 g/cu cm between the same altitude limits. Some seasonal variations of composition and density are evident at high latitudes. The refractive indices at 1.02, 0.694, and 0.532 micrometers increase, respectively, from about 1.425, 1.430, and 1.435 just above the tropopause to about 1.445, 1.455, and 1.458 at altitudes above 27 km, depending on the season and latitude. The aerosol properties presented can be used in models to study the effectiveness of heterogeneous chemistry, the mass loading of stratospheric aerosols, and the extinction and backscatter of aerosols at different wavelengths. Computed aerosol surface areas, rate coefficients for the heterogeneous reaction ClONO2 + H2O yields HOCl + HNO3 and aerosol mass concentrations before and after the Pinatubo eruption in June 1991 are shown as sample applications.

Yue, G. K.↗
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 NTRS2004

Transient Three-Dimensional Analysis of Side Load in Liquid Rocket Engine Nozzles

Three-dimensional numerical investigations on the nozzle start-up side load physics were performed. The objective of this study is to identify the three-dimensional side load physics and to compute the associated aerodynamic side load using an anchored computational methodology. The computational methodology is based on an unstructured-grid, and pressure-based computational fluid dynamics formulation, and a simulated inlet condition based on a system calculation. Finite-rate chemistry was used throughout the study so that combustion effect is always included, and the effect of wall cooling on side load physics is studied. The side load physics captured include the afterburning wave, transition from free- shock to restricted-shock separation, and lip Lambda shock oscillation. With the adiabatic nozzle, free-shock separation reappears after the transition from free-shock separation to restricted-shock separation, and the subsequent flow pattern of the simultaneous free-shock and restricted-shock separations creates a very asymmetric Mach disk flow. With the cooled nozzle, the more symmetric restricted-shock separation persisted throughout the start-up transient after the transition, leading to an overall lower side load than that of the adiabatic nozzle. The tepee structures corresponding to the maximum side load were addressed.

Wang, Ten-See↗
NASA NTRS2011

Northern Hemisphere Atmospheric Influence of the Solar Proton Events and Ground Level Enhancement in January 2005

Solar eruptions in early 2005 led substantial barrage of charged particles on the Earth's atmosphere during the January 16-21 period. Proton fluxes were greatly increased during these several days and led to the production ofHO(x)(H, OH, BO2)and NO(x)(N, NO, NO2), which then caused the destruction of ozone. We focus on the Northern polar region, where satellite measurements and simulations with the Whole Atmosphere Community Climate Model (WACCM3) showed large enhancements in mesospheric HO(x) and NO(x) constituents, and associated ozone reductions, due 10 these solar proton events (SPEs). The WACCM3 simulations show enhanced short-lived OH throughout the mesosphere in the 60-82.5degN latitude band due to the SPEs for most days in the Jan.16-2l,2005 period, in reasonable agreement with the Aura Microwave Limb Sounder (MLS) measurements. Mesospheric HO2 is also predicted to be increased by the SPEs, however, the modeled HO2 results are somewhat larger than the MLS measurements. These HO(x) enhancements led to huge predicted and MLS-measured ozone decreases of greater than 40% throughout most of the Northern polar mesosphere during the SPE period. Envisat Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) measurements of hydrogen peroxide (H2O2) show increases throughout the stratosphere with highest enhancements of about 60 ppt y in the lowermost mesosphere over the Jan. 16-18, 2005 period due to the solar protons. WACCM3 predictions indicate H2O2 enhancements over the same time period of more than twice that amount. Measurements of nitric acid (HNO3) by both MLS and MIPAS show an increase of about 1 ppbv above background levels in the upper stratosphere during January 16-29, 2005. WACCM3 simulations show only minuscule HNO3 changes in the upper stratosphere during this time period. However due to the small loss rates during winter, polar mesospheric enhancements of NO(x) are computed to be greater than 50 ppbv during the SPE period. Computed NO(x)increases, which were statistically significant at the 95% level, lasted about a month past the SPEs. The SCISAT-I Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) NO(x) measurements and MIPAS NO, measurements for the polar Northern Hemisphere are in reasonable agreement with these predictions. An extremely large ground level enhancement (GLE) occurred during the SPE period on January 20, 2005. We find that protons of energies 300 to 20,000 MeV, not normally included in our computations, led to enhanced lower stratospheric odd nitrogen concentrations of less than 0.1% as a result of this GLE.

Jackman, C. H.↗
NASA NTRS2009

Uncertain Representations of Sub-Grid Pollutant Transport in Chemistry-Transport Models and Impacts on Long-Range Transport and Global Composition

Sub-grid transport, by convection and turbulence, is known to play an important role in lofting pollutants from their source regions. Consequently, the long-range transport and climatology of simulated atmospheric composition are impacted. This study uses the Goddard Earth Observing System, Version 5 (GEOS-5) atmospheric model to study pollutant transport. The baseline model uses a Relaxed Arakawa-Schubert (RAS) scheme that represents convection through a sequence of linearly entraining cloud plumes characterized by unique detrainment levels. Thermodynamics, moisture and trace gases are transported in the same manner. Various approximate forms of trace-gas transport are implemented, in which the box-averaged cloud mass fluxes from RAS are used with different numerical approaches. Substantial impacts on forward-model simulations of CO (using a linearized chemistry) are evident. In particular, some aspects of simulations using a diffusive form of sub-grid transport bear more resemblance to space-biased CO observations than do the baseline simulations with RAS transport. Implications for transport in the real atmosphere will be discussed. Another issue of importance is that many adjoint/inversion computations use simplified representations of sub-grid transport that may be inconsistent with the forward models: implications will be discussed. Finally, simulations using a complex chemistry model in GEOS-5 (in place of the linearized CO model) are underway: noteworthy results from this simulation will be mentioned.

Pawson, Steven↗