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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 109 records · Page 6

Progress in Validation of Wind-US for Ramjet/Scramjet Combustion

Validation of the Wind-US flow solver against two sets of experimental data involving high-speed combustion is attempted. First, the well-known Burrows- Kurkov supersonic hydrogen-air combustion test case is simulated, and the sensitively of ignition location and combustion performance to key parameters is explored. Second, a numerical model is developed for simulation of an X-43B candidate, full-scale, JP-7-fueled, internal flowpath operating in ramjet mode. Numerical results using an ethylene-air chemical kinetics model are directly compared against previously existing pressure-distribution data along the entire flowpath, obtained in direct-connect testing conducted at NASA Langley Research Center. Comparison to derived quantities such as burn efficiency and thermal throat location are also made. Reasonable to excellent agreement with experimental data is demonstrated for key parameters in both simulation efforts. Additional Wind-US feature needed to improve simulation efforts are described herein, including maintaining stagnation conditions at inflow boundaries for multi-species flow. An open issue regarding the sensitivity of isolator unstart to key model parameters is briefly discussed.

Engblom, William A.↗

Polynomial coefficients of thermochemical data for the C-H-O-N system

Thermodynamic data are required input for the finite kinetics and equilibrium computer programs needed for modeling the combustion of hydrocarbons in the fields of energy and pollution research. Least squares determined coefficients of the curve-fitted thermodynamic data for 193 species in the C-H-O-N system are presented in card image form and are of suitable format for use by common computer programs.

Wakelyn, N. T.↗

Advanced methods for preparation and characterization of infrared detector materials

Mercury cadmium telluride crystals were prepared by the Bridgman method with a wide range of crystal growth rates and temperature gradients adequate to prevent constitutional supercooling under diffusion-limited, steady state, growth conditions. The longitudinal compositional gradients for different growth conditions and alloy compositions were calculated and compared with experimental data to develop a quantitative model of the crystal growth kinetics for the Hg(i-x)CdxTe alloys, and measurements were performed to ascertain the effect of growth conditions on radial compositional gradients. The pseudobinary HgTe-CdTe constitutional phase diagram was determined by precision differential thermal analysis measurements and used to calculate the segregation coefficient of Cd as a function of x and interface temperature. Computer algorithms specific to Hg(1-x)CdxTe were developed for calculations of the charge carrier concentrations, charge carrier mobilities, Hall coefficient, optical absorptance, and Fermi energy as functions of x, temperature, ionized donor and acceptor concentrations, and neutral defect concentrations.

Lehoczky, S. L.↗

Long term deposit formation in aviation turbine fuel at elevated temperature

An experimental characterization is conducted for the relationships between deposit mass, operating time, and temperature, in coking associated with aviation fuels under conditions simulating those typical of turbine engine fuel systems. Jet A and Suntech A fuels were tested in stainless steel tubing heated to 420-750 K, over test durations of between 3 and 730 hr and at fuel velocities of 0.07-1.3 m/sec. Deposit rates are noted to be a strong function of tube temperature; for a given set of test conditions, deposition rates for Suntech A exceed those of Jet A by a factor of 10. Deposition rates increased markedly with test duration for both fuels. The heated tube data obtained are used to develop a global chemical kinetic model for fuel oxidation and carbon deposition.

Giovanetti, A. J.↗

Venus surface mineralogy - Observational and theoretical constraints

Earth-based, earth-orbital, and spacecraft observations of the atmosphere and surface of Venus, thermodynamic models of atmosphere-lithosphere interactions, and where available kinetic data on relevant gas-solid reactions to place constraints on the mineralogy of the surface of Venus are used. Which minerals and mineral assemblages are stable on the surface of Venus and which, if any, of these minerals are involved in controlling the abundances of reactive gases in the atmosphere of Venus. It is concluded by identifying key issues facing us today about the mineralogy and geochemistry of the surface of Venus and suggest experimental, observational, and theoretical studies that can improve knowledge of these important questions are discussed.

Fegley, Bruce, Jr.↗

The Use of Steady and Pulsed Detonations for Propulsion Systems

Objectives of the ODWE concept studies are: demonstrate the feasibility of the oblique detonation wave engine (ODWE) for hypersonic propulsion; demonstrate the existance and stability of an oblique detonation wave in hypersonic wind tunnels; develop engineering codes which predict the performance characteristics of the ODWE including specific impulse and thrust coefficients for various operating conditions; develop multi-dimensional computer codes which can model all aspects of the ODWE including fuel injection, mixing, ignition, combustion and expansion with fully detailed chemical kinetics and turbulence models; and validate the codes with experimental data use the simulations to predict the ODWE performance for conditions not easily obtained in wind tunnels.

Adelman, Henry G.↗

A Massively Parallel Hybrid Dusty-Gasdynamics and Kinetic Direct Simulation Monte Carlo Model for Planetary Applications

In order to understand the global structure, dynamics, and physical and chemical processes occurring in the upper atmospheres, exospheres, and ionospheres of the Earth, the other planets, comets and planetary satellites and their interactions with their outer particles and fields environs, it is often necessary to address the fundamentally non-equilibrium aspects of the physical environment. These are regions where complex chemistry, energetics, and electromagnetic field influences are important. Traditional approaches are based largely on hydrodynamic or magnetohydrodynamic (MHD) formulations and are very important and highly useful. However, these methods often have limitations in rarefied physical regimes where the molecular collision rates and ion gyrofrequencies are small and where interactions with ionospheres and upper neutral atmospheres are important. At the University of Michigan we have an established base of experience and expertise in numerical simulations based on particle codes which address these physical regimes. The Principal Investigator, Dr. Michael Combi, has over 20 years of experience in the development of particle-kinetic and hybrid kinetichydrodynamics models and their direct use in data analysis. He has also worked in ground-based and space-based remote observational work and on spacecraft instrument teams. His research has involved studies of cometary atmospheres and ionospheres and their interaction with the solar wind, the neutral gas clouds escaping from Jupiter s moon Io, the interaction of the atmospheres/ionospheres of Io and Europa with Jupiter s corotating magnetosphere, as well as Earth s ionosphere. This report describes our progress during the year. The contained in section 2 of this report will serve as the basis of a paper describing the method and its application to the cometary coma that will be continued under a research and analysis grant that supports various applications of theoretical comet models to understanding the inner comae of comets (grant NAGS- 13239 from the Planetary Atmospheres program).

Combi, Michael R.↗

Partial Overhaul and Initial Parallel Optimization of KINETICS, a Coupled Dynamics and Chemistry Atmosphere Model

KINETICS is a coupled dynamics and chemistry atmosphere model that is data intensive and computationally demanding. The potential performance gain from using a supercomputer motivates the adaptation from a serial version to a parallelized one. Although the initial parallelization had been done, bottlenecks caused by an abundance of communication calls between processors led to an unfavorable drop in performance. Before starting on the parallel optimization process, a partial overhaul was required because a large emphasis was placed on streamlining the code for user convenience and revising the program to accommodate the new supercomputers at Caltech and JPL. After the first round of optimizations, the partial runtime was reduced by a factor of 23; however, performance gains are dependent on the size of the data, the number of processors requested, and the computer used.

KINETICS↗

Nitric Oxide and Oxygen Air-Contamination Effects on Extinction Limits of Non-Premixed Hydrocarbon-Air Flames for a HIFiRE Scramjet

Unique nitric oxide (NO) and oxygen air-contamination effects on the extinction Flame Strength (FS) of non-premixed hydrocarbon (HC) vs. air flames are characterized for 7 gaseous HCs, using a new idealized 9.3 mm straight-tube Opposed Jet Burner (OJB) at 1 atm. FS represents a laminar strain-induced extinction limit based on cross-section-average air jet velocity, Uair, that sustains combustion of a counter jet of gaseous fuel just before extinction. Besides ethane, propane, butane, and propylene, the HCs include ethylene, methane, and a 64 mole-% ethylene / 36 % methane mixture, the writer s previously recommended gaseous surrogate fuel for HIFiRE scramjet tests. The HC vs. clean air part of the work is an extension of a May 2008 JANNAF paper that characterized surrogates for the HIFiRE project that should mimic the flameholding of reformed (thermally- or catalytically-cracked) endothermic JP-like fuels. The new FS data for 7 HCs vs. clean air are thus consolidated with the previously validated data, normalized to absolute (local) axial-input strain rates, and co-plotted on a dual kinetically dominated reactivity scale. Excellent agreement with the prior data is obtained for all 7 fuels. Detailed comparisons are also made with recently published (Univ. Va) numerical results for ethylene extinction. A 2009-revised ethylene kinetic model (Univ. Southern Cal) led to predicted limits within approx. 5 % (compared to 45 %, earlier) of this writer s 2008 (and present) ethylene FSs, and also with recent independent data (Univ. Va) obtained on a new OJB system. These +/- 5 % agreements, and a hoped-for "near-identically-performing" reduced kinetics model, would greatly enhance the capability for accurate numerical simulations of surrogate HC flameholding in scramjets. The measured air-contamination effects on normalized FS extinction limits are projected to assess ongoing Arc-Heater-induced "facility test effects" of NO production (e.g., 3 mole-%) and resultant oxygen depletion (from 21 to 19.5 %), for testing the "64/36" surrogate fuel in Langley s Arc-Heated Scramjet Test Facility for HIFiRE engine designs. The FS results show a generally small (< 4 %) "nitric oxide enhancement" effect, relative to clean air, for up to 3 % NO (freestream Mach number up to 7 in Arc Jet testing). However, a progressively large "oxygendeficiency weakening" effect develops. For 3 % NO, a net weakening of 26 % in FS is derived for the "64/36" fuel vs. air. The corresponding net weakening for pure ethylene is 20 %. A number of practical recommendations regarding facility test effects are offered.

Pellett, Gerald L.↗

Chemical kinetics and photochemistry

A compilation of rate constant data for use in stratospheric modeling is presented. The tabulations are divided into two categories: bimolecular and termolecular. Explanations are given for anomalous pressure and temperature dependences.

Source record↗

A Study of Two-Equation Turbulence Models on the Elliptic Streamline Flow

Several two-equation turbulence models are compared to data from direct numerical simulations (DNS) of the homogeneous elliptic streamline flow, which combines rotation and strain. The models considered include standard two-equation models and models with corrections for rotational effects. Most of the rotational corrections modify the dissipation rate equation to account for the reduced dissipation rate in rotating turbulent flows, however, the DNS data shows that the production term in the turbulent kinetic energy equation is not modeled correctly by these models. Nonlinear relations for the Reynolds stresses are considered as a means of modifying the production term. Implications for the modeling of turbulent vortices will be discussed.

Blaisdell, Gregory A.↗

A stochastic differential equation model of diurnal cortisol patterns

Circadian modulation of episodic bursts is recognized as the normal physiological pattern of diurnal variation in plasma cortisol levels. The primary physiological factors underlying these diurnal patterns are the ultradian timing of secretory events, circadian modulation of the amplitude of secretory events, infusion of the hormone from the adrenal gland into the plasma, and clearance of the hormone from the plasma by the liver. Each measured plasma cortisol level has an error arising from the cortisol immunoassay. We demonstrate that all of these three physiological principles can be succinctly summarized in a single stochastic differential equation plus measurement error model and show that physiologically consistent ranges of the model parameters can be determined from published reports. We summarize the model parameters in terms of the multivariate Gaussian probability density and establish the plausibility of the model with a series of simulation studies. Our framework makes possible a sensitivity analysis in which all model parameters are allowed to vary simultaneously. The model offers an approach for simultaneously representing cortisol's ultradian, circadian, and kinetic properties. Our modeling paradigm provides a framework for simulation studies and data analysis that should be readily adaptable to the analysis of other endocrine hormone systems.

NASA Discipline Space Human Factors↗

State-Specific Kinetic Modeling for Predictions of Radiative Heating in H 2 /He Entry Flows

A 23-species State-to-State (StS) thermochemical model for H 2 /He mixtures is developed and used to simulate 1-D shocks at conditions relevant for ice and gas giant entry flows. To implement this StS model, a literature review of the state-specific excitation and ionization rates of atomic H is first performed. While electron impact rates from various sources are found to be in relatively good agreement, large discrepancies are found in the limited data available on heavy particle impact rates. To investigate the impact of these discrepancies on the predicted shock and radiance profiles, simulations are performed for three different versions of the kinetic model, each with a different set of heavy particle impact rates from the literature. Of these three models, two are found to over-predict and one is found to under-predict the radiance values seen in corresponding experimental data from the NASA Ames Electric Arc Shock Tube (EAST) facility. A sensitivity analysis to the electron and heavy particle impact rates is then performed, from which an improved kinetic model with modified rates is proposed. This modified kinetic model is found to reproduce the total integrated radiance seen in the EAST experiments accurately. This suggests that the associated radiative heating that would be encountered by an entry probe in these environments would be well predicted by this kinetic model. However, some discrepancies are still found i the relative contributions to the total radiance from different spectral features, suggesting that additional improvements to the kinetic model still need to be made.

Outer Planet↗

The analysis sensitivity to tropical winds from the Global Weather Experiment

The global scale divergent and rotational flow components of the Global Weather Experiment (GWE) are diagnosed from three different analyses of the data. The rotational flow shows closer agreement between the analyses than does the divergent flow. Although the major outflow and inflow centers are similarly placed in all analyses, the global kinetic energy of the divergent wind varies by about a factor of 2 between different analyses while the global kinetic energy of the rotational wind varies by only about 10 percent between the analyses. A series of real data assimilation experiments has been performed with the GLA general circulation model using different amounts of tropical wind data during the First Special Observing Period of the Global Weather Experiment. In exeriment 1, all available tropical wind data were used; in the second experiment, tropical wind data were suppressed; while, in the third and fourth experiments, only tropical wind data with westerly and easterly components, respectively, were assimilated. The rotational wind appears to be more sensitive to the presence or absence of tropical wind data than the divergent wind. It appears that the model, given only extratropical observations, generates excessively strong upper tropospheric westerlies. These biases are sufficiently pronounced to amplify the globally integrated rotational flow kinetic energy by about 10 percent and the global divergent flow kinetic energy by about a factor of 2. Including only easterly wind data in the tropics is more effective in controlling the model error than including only westerly wind data. This conclusion is especially noteworthy because approximately twice as many upper tropospheric westerly winds were available in these cases as easterly winds.

Paegle, J.↗

Pathway Model of the Kinetics of the TGFbeta Antagonist Smad7 and Cross-Talk with the ATM and WNT Pathways

Signal transduction controls cellular and tissue responses to radiation. Transforming growth factor beta (TGFbeta) is an important regulator of cell growth and differentiation and tissue homeostasis, and is often dis-regulated in tumor formation. Mathematical models of signal transduction pathways can be used to elucidate how signal transduction varies with radiation quality, and dose and dose-rate. Furthermore, modeling of tissue specific responses can be considered through mechanistic based modeling. We developed a mathematical model of the negative feedback regulation by Smad7 in TGFbeta-Smad signaling and are exploring possible connections to the WNT/beta -catenin, and ATM/ATF2 signaling pathways. A pathway model of TGFbeta-Smad signaling that includes Smad7 kinetics based on data in the scientific literature is described. Kinetic terms included are TGFbeta/Smad transcriptional regulation of Smad7 through the Smad3-Smad4 complex, Smad7-Smurf1 translocation from nucleus to cytoplasm, and Smad7 negative feedback regulation of the TGFO receptor through direct binding to the TGFO receptor complex. The negative feedback controls operating in this pathway suggests non-linear responses in signal transduction, which are described mathematically. We then explored possibilities for cross-talk mediated by Smad7 between DNA damage responses mediated by ATM, and with the WNT pathway and consider the design of experiments to test model driven hypothesis. Numerical comparisons of the mathematical model to experiments and representative predictions are described.

Carra, Claudio↗

An investigation of the kinetics for hydrogen chemisorption on iron metal surfaces

A quasi-isothermal approach was used to study the kinetics of hydrogen and hydrogen sulfide chemisorption onto iron film in an effort to understand the environmental degradation of steels. The coverage of chemisorbed hydrogen or chemisorbed sulfur was observed as a function of time for fixed conditions of substrate temperature. Auger electron spectroscopy was used to observe the sulfur and chemisorption-induced resistance change was employed to monitor hydrogen coverage. To compare the results obtained from studying the kinetics by two different techniques, the kinetics of oxygen chemisorption onto iron films was also studied. A reaction model utilized to interpret the H2/Fe2 chemisorption kinetics was applied to data from an earlier study on the desorption kinetics for H2 chemisorbed onto nicket films in the vicinity of the Curie temperature of the film. This analysis permitted a separation of the gross desorption process into individual components so that the influence of the magnetic phase transition on the rate constants could be determined.

Shanabarger, M. R.↗

Fracture-tough, corrosion-resistant bearing steels

The fundamental principles allowing design of stainless bearing steels with enhanced toughness and stress corrosion resistance has involved both investigation of basic phenomena in model alloys and evaluation of a prototype bearing steel based on a conceptual design exercise. Progress in model studies has included a scanning Auger microprobe (SAM) study of the kinetics of interfacial segregation of embrittling impurities which compete with the kinetics of alloy carbide precipitation in secondary hardening steels. These results can define minimum allowable carbide precipitation rates and/or maximum allowable free impurity contents in these ultrahigh strength steels. Characterization of the prototype bearing steel designed to combine precipitated austenite transformation toughening with secondary hardening shows good agreement between predicted and observed solution treatment response including the nature of the high temperature carbides. An approximate equilibrium constraint applied in the preliminary design calculations to maintain a high martensitic temperature proved inadequate, and the solution treated alloy remained fully austenitic down to liquid nitrogen temperature rather than transforming above 200 C. The alloy can be martensitically transformed by cryogenic deformation, and material so processed will be studied further to test predicted carbide and austenite precipitation behavior. A mechanistically-based martensitic kinetic model was developed and parameters are being evaluated from available kinetic data to allow precise control of martensitic temperatures of high alloy steels in future designs. Preliminary calculations incorporating the prototype stability results suggest that the transformation-toughened secondary-hardening martensitic-stainless design concept is still viable, but may require lowering Cr content to 9 wt. pct. and adding 0.5 to 1.0 wt. pct. Al. An alternative design approach based on strain-induced martensitic transformation during cryogenic forming, thus removing the high martensitic constraint, may permit alloy compositions offering higher fracture roughness.

Olson, Gregory B.↗