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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Direct simulation of aerothermal loads for an aeroassist flight experiment vehicle

Results of a numerical study using the direct simulation Monte Carlo (DSMC) method are presented for the hypersonic flow about an elliptically blunted cone. The flow conditions are those for a proposed Aeroassist Flight Experiment (AFE) vehicle. The altitude range considered is that from 130 to 90 km which encompasses most of the transitional flow regime for the AFE vehicle, that is, the region bounded by free molecular and continuum flow. Freestream velocities of 9.9 to 7.5 km/sec are considered. The numerical simulations show that noncontinuum effects are evident for all cases considered. The onset of chemical dissociation occurs at a simulated altitude of about 130 km. Results presented highlight the thermal and chemical nonequilibrium nature of the flowfield and the impact of these effects on the surface heating and body drag. A calculation which included the additional effects of ionization and thermal radiation demonstrates that the inclusion of such efects would not significantly alter the surface quantities calculated in the present study. The radiative heating is negligible when compared with the convective heating, and the same would be true for the other conditions considered.

Dogra, Virendra K.↗
NASA NTRS1977

Spatially localized, shock-wave-induced continuous and very fast mixing between gases and liquid in parallel flow /An experimental study/

Shock-wave-induced patterns and turbulent supersonic shear flows over a stagnant bubble were determined for cases where recirculation and final mixing occurred within a very short time and within a distance of about 1 cm. The effect of a shock wave upon stratified laminas of gases in a shock tube was studied for a series of gases of different densities and molecular weights. Steady-state mixing of gas streams were investigated in wind tunnel experiments by means of a chemiluminescent reaction. Shock-wave-induced mixing which involves the introduction of a liquid jet into a supersonic gas stream is also described.

Devis, E.↗
NASA NTRS1986

An optical imaging and polarimetric study of the Lynds 723 and Barnard 335 molecular outflow regions

Optical polarization measurements are reported for a sample of stars viewed through the periphery of two dense molecular clouds, Barnard 335 and Lynds 723. These observations suggest that the direction of the magnetic field threading these clouds lies along position angle 111 + or - 4 deg for B335 and 90 + or - 8 deg for L723. In each case, the deduced field direction is approximately parallel to the direction defined by a collimated bipolar molecular outflow driven by a highly obscured FIR source. R, I, and H-alpha CCD images of these regions reveal knots of optical emission apparently associated with the molecular outflows. In the case of L723, two emission features are found within the blueshifted wing of the molecular outflow; along with the FIR source, these knots define a position angle nearly identical to that of the molecular flow. For B335, the observed emission knot lies in the redshifted wing of the molecular outflow along a position angle approximately equal to that of the flow.

Vrba, F. J.↗
NASA NTRS1974

Shock-tube study of carbon monoxide dissociation kinetics

Carbon monoxide dissociation-rate data were obtained over the temperature range 5600-12,000 K. The experiments were conducted with undiluted CO to emphasize rate constants applicable to molecular gas systems. Data were obtained as time-resolved pressure measurements on the end wall of a shock tube and, in some cases, as emission histories of the C2 Swan system (0-0 band) behind incident shock waves. Results confirm the presence of C2 as an intermediate species in CO decomposition.

Hanson, R. K.↗
NASA NTRS2008

A Comparison of EAST Shock-Tube Radiation Measurements with a New Air Radiation Model

This paper presents a comparison between the recent EAST shock tube radiation measurements (Grinstead et al., AIAA 2008-1244) and the HARA radiation model. The equilibrium and nonequilibrium radiation measurements are studied for conditions relevant to lunar-return shock-layers; specifically shock velocities ranging from 9 to 11 kilometers per second at initial pressures of 0.1 and 0.3 Torr. The simulated shock-tube flow is assumed one-dimensional and is calculated using the LAURA code, while a detailed nonequilibrium radiation prediction is obtained in an uncoupled manner from the HARA code. The measured and predicted intensities are separated into several spectral ranges to isolate significant spectral features, mainly strong atomic line multiplets. The equations and physical data required for the prediction of these strong atomic lines are reviewed and their uncertainties identified. The 700-1020 nm wavelength range, which accounts for roughly 30% of the radiative flux to a peak-heating lunar return shock-layer, is studied in detail and the measurements and predictions are shown to agree within 15% in equilibrium. The plus or minus 1.5% uncertainty on the measured shock velocity is shown to cause up to a plus or minus 30% difference in the predicted radiation. This band of predictions contains the measured values in almost all cases. For the highly nonequilibrium 0.1 Torr cases, the nonequilibrium radiation peaks are under-predicted by about half. This under-prediction is considered acceptable when compared to the order-of-magnitude over-prediction obtained using a Boltzmann population of electronic states. The reasonable comparison in the nonequilibrium regions provides validation for both the non-Boltzmann modeling in HARA and the thermochemical nonequilibrium modeling in LAURA. The N2 (+)(1-) and N2(2+) molecular band systems are studied in the 290 480 nm wavelength range for both equilibrium and nonequilibrium regimes. The non-Boltzmann rate models for these systems, which have significant uncertainties, are tuned to improve the comparison with measurements.

Johnston, Christopher O.↗
NASA NTRS1991

Infrared radiative energy transfer in gaseous systems

Analyses and numerical procedures are presented to investigate the radiative interactions in various energy transfer processes in gaseous systems. Both gray and non-gray radiative formulations for absorption and emission by molecular gases are presented. The gray gas formulations are based on the Planck mean absorption coefficient and the non-gray formulations are based on the wide band model correlations for molecular absorption. Various relations for the radiative flux and divergence of radiative flux are developed. These are useful for different flow conditions and physical problems. Specific plans for obtaining extensive results for different cases are presented. The procedure developed was applied to several realistic problems. Results of selected studies are presented.

Tiwari, Surendra N.↗
NASA NTRSDate not supplied

Machine-Learned Committor Functions for Reactive Molecular Dynamics

Reactive molecular dynamics (MD) is a powerful tool for atomistic-scale modeling of a diverse range of chemical processes. However, scaling these simulations to large systems and long times scales remains a challenge because of the complexity of the potential energy function required. The authors previously developed a heuristic approach, called REACTER, that incorporates reactivity in MD simulations in a less general but much more computationally efficient manner. REACTER uses standard, fixed valence force fields as the underlying potentialenergy surface for describing all interatomic interactions but adds a procedure for enforcing user-defined reactions that occur when certain geometric constraints on relative atomic positions are satisfied. Further, these bonding changes can be accepted or rejected with a probability related tothe local thermal energy. This work seeks to generalize this approach by replacing the set of user defined geometric constraints and energetic criteria with a committor function that specifies the probability of a reaction occurring on the basis of the local atomic configuration. The committor function is a useful mathematical tool for modeling rare events but, unfortunately, is very difficult to compute for realistic systems in a general way. This work describes a method for approximating the committor function using a machine learning approach, specifically a deep neural network trained with data from reactive MD and DFT-based dynamics simulations. This network is coupled to the existing REACTER protocol, as implemented in the LAMMPS MD package, and used to make on-the-fly predictions of reaction probabilities without the more extensive user input previously required. The new method is demonstrated using the polymerization of polystyrene as a case study. Although very dependent on the quality and quantity of training data, machine-learned committor functions show promise as a method for incorporating reaction probability from higher level calculations into highly scalable MD simulations.

polymer simulations↗
NASA NTRS1979

Ionospheric chemistry

This report deals primarily with progress in the chemistry of minor neutrals and ionized constituents of the thermosphere. Significant progress was made over the last few years in quantitative studies of many chemical processes. This success was primarily due to the advent of multiparameter multisatellite programs which permitted accurate simultaneous measurements to be made of many important parameters. In many cases studies of chemical reactions were made with laboratory-like precision. Rate coefficients have been derived as functions of temperature for a number of important reactions. New information has been acquired on nearly every major process which occurs in the thermosphere, including the recombination rates of all major molecular ions, charge transfer reactions, ion atom interchange reactions, and reactions of neutral and ionized metastable atoms and molecules.

Torr, D. G.↗
NASA NTRS1994

Numerical simulation of three-dimensional self-gravitating flow

The three-dimensional flow of a self-gravitating fluid is numerically simulated using a Fourier pseudospectral method with a logarithmic variable formulation. Two cases with zero total angular momentum are studied in detail, a 32(exp 3) simulation (Run A) and a 64(exp 3) simulation (Run B). Other than the grid size, the primary differences between the two cases are that Run A modeled atomic hydrogen and had considerably more compressible motion initially than Run B, which modeled molecular hydrogen. ('Compressible motion' is that part of the velocity which has zero curl, but non-zero divergence). The numerical results indicate that gravitational collapse can proceed in a variety of ways. In Run A, collapse led to an elongated tube-like structure, while in Run B, collapse led to a flatter, disk-like structure.

Shebalin, J. V.↗
NASA NTRS2001

Delta L: An Apparatus for Measuring Macromolecule Crystal Growth Rates in Microgravity

Strongly diffracting high quality macromolecule crystals of suitable volume are keenly sought for X-ray diffraction analysis so that high-resolution molecular structure data can be obtained. Such data is of tremendous value to medical research, agriculture and commercial biotechnology. In previous studies by many investigators microgravity has been reported in some instances to improve biological macromolecule X-ray crystal quality while little or no improvement was observed in other cases. A better understanding of processes effecting crystal quality improvement in microgravity will therefore be of great benefit in optimizing crystallization success in microgravity. In ground based research with the protein lysozyme we have previously shown that a population of crystals grown under the same solution conditions, exhibit a variation in X-ray diffraction properties (Judge et al., 1999). We have also observed that under the same solution conditions, individual crystals will grow at slightly different growth rates. This phenomenon is called growth rate dispersion. For small molecule materials growth rate dispersion has been directly related to crystal quality (Cunningham et al., 1991; Ristic et al., 1991). We therefore postulate that microgravity may act to improve crystal quality by reducing growth rate dispersion. If this is the case then as different, Materials exhibit different degrees of growth rate dispersion on the ground then growth rate dispersion could be used to screen which materials may benefit the most from microgravity crystallization. In order to assess this theory the Delta L hardware is being developed so that macromolecule crystal growth rates can be measured in microgravity. Crystal growth rate is defined as the change or delta in crystal size (defined as a characteristic length, L) over time; hence the name of the hardware. Delta L will consist of an optics, a fluids, and a data acquisition sub-assemblies. The optics assembly will consist of a video microscope camera mounted on three axis computer controlled translation stages. The fluids assembly consists of macromolecule and precipitant reservoirs, a temperature controlled growth cell and waste container, The data acquisition is achieved by using a frame-gabber, with images being stored on a hard drive. In operation, macromolecule and precipitant solution will be injected into the temperature controlled growth cell. As macromolecule crystals grow, the video microscope camera controlled by the translation stages, will be used to locate and record images of individual crystals, returning to the same crystals at specific time intervals. The images will be stored on the hard drive and used to calculate the crystal growth rate. To prevent vibrations interfering in the crystal growth rate measurements (Snell et al., 1997) Delta L will be used in connection with the Glovebox Integrated Microgravity Isolation Technology (g-LIMIT) inside the Microgravity Science Glovebox (MSG), onboard the International Space Station (ISS).

Judge, Russell A.↗
NASA NTRS1989

Matrix isolation as a tool for studying interstellar chemical reactions

Since the identification of the OH radical as an interstellar species, over 50 molecular species were identified as interstellar denizens. While identification of new species appears straightforward, an explanation for their mechanisms of formation is not. Most astronomers concede that large bodies like interstellar dust grains are necessary for adsorption of molecules and their energies of reactions, but many of the mechanistic steps are unknown and speculative. It is proposed that data from matrix isolation experiments involving the reactions of refractory materials (especially C, Si, and Fe atoms and clusters) with small molecules (mainly H2, H2O, CO, CO2) are particularly applicable to explaining mechanistic details of likely interstellar chemical reactions. In many cases, matrix isolation techniques are the sole method of studying such reactions; also in many cases, complexations and bond rearrangements yield molecules never before observed. The study of these reactions thus provides a logical basis for the mechanisms of interstellar reactions. A list of reactions is presented that would simulate interstellar chemical reactions. These reactions were studied using FTIR-matrix isolation techniques.

Ball, David W.↗
NASA NTRS1985

Development of a temperature measurement system with application to a jet in a cross flow experiment

A temperature measurement system, which allows the simultaneous sampling of up to 80 separate thermocouples, was developed. The minimum resolution for the system corresponds to + or - 0.16 C per least significant bit of the A/D converter. The time constant values lambda, for each of the 64 thermocouples, were determined experimentally at 7 mps. Software routines were used to correct the measured temperatures for the effect of lambda for each thermocouple. The temperature measurement system was utilized to study the thermal field of a heated jet discharging perpendicularly into a low and a high disturbance level cross stream for a given momentum flux ratio and for three overheated values. The peak instantaneous temperatures reveal that strong molecular diffusion was operative. Various measures of the thermal field, for the disturbed case, suggest that the jet column remains relatively compact while being buffeted by the ambient turbulence field and that its penetration, into the cross wind, is inhibited by the presence of the strong disturbance field.

Wark, C.↗
NASA NTRS2022

Constraining Warm Dark Matter and Population III Stars with the Global 21 cm Signal

Upcoming ground- and space-based experiments may have sufficient accuracy to place significant constraints upon high-redshift star formation, Reionization, and dark matter (DM) using the global 21 cm signal of the intergalactic medium. In the early universe, when the relative abundance of low-mass DM halos was important, measuring the global signal would place constraints on the damping of structure formation caused by DM having a higher relic velocity (warm dark matter, or WDM) than in cold dark matter. Such damping, however, can be mimicked by altering the star formation efficiency (SFE) and can be difficult to detect because of the presence of Population III stars with unknown properties. We study these various cases and their degeneracies with the WDM mass parameter mX using a Fisher matrix analysis. We study the mX = 7 keV case and a star formation model that parameterizes the SFE as a strong function of halo mass and include several variations of this model along with three different input noise levels for the likelihood; we also use a minimum halo virial temperature for collapse near the molecular cooling threshold. We find that when the likelihood includes only Population II stars, mX is constrained to an uncertainty of ∼0.4 keV for all models and noise levels at the 68% confidence level. When the likelihood includes weak Population III stars, mX ∼ 0.3 keV, and if Population III star formation is relatively efficient, mX ∼ 0.1 keV uncertainty, with tight Population III star formation parameter constraints. Our results show that the global 21 cm signal is a promising test-bed for WDM models, even in the presence of strong degeneracies with astrophysical parameters.

Cosmology↗
NASA NTRS2003

Complex Organics from Laboratory Simulated Interstellar Ices

Many of the volatiles in interstellar dense clouds exist in ices surrounding dust grains. The low temperatures of these ices (T < 50 K) preclude most chemical reactions, but photolysis can drive reactions that produce a suite of new species, many of which are complex organics. We study the UV and proton radiation processing of interstellar ice analogs to explore links between interstellar chemistry, the organics in comets and meteorites, and the origin of life on Earth. The high D/H ratios in some interstellar species, and the knowledge that many of the organics in primitive meteorites are D-enriched, suggest that such links are plausible. Once identified, these species may serve as markers of interstellar heritage of cometary dust and meteorites. Of particular interest are our findings that UV photolysis of interstellar ice analogs produce molecules of importance in current living organisms, including quinones, amphiphiles, and amino acids. Quinones are essential in vital metabolic roles such as electron transport. Studies show that quinones should be made wherever polycyclic aromatic hydrocarbons are photolyzed in interstellar ices. In the case of anthracene-containing ices, we have observed the production of 9-anthrone and 9,10 anthraquinone, both of which have been observed in the Murchison meteorite. Amphiphiles are also made when mixed molecular ices are photolyzed. These amphiphiles self-assemble into fluorescent vesicles when placed in liquid water, as do Murchison extracts. Both have the ability to trap an ionic dye. Photolysis of plausible ices can also produce alanine, serine, and glycine as well as a number of small alcohols and amines. Flash heating of the room temperature residue generated by such experiments generates mass spectral distributions similar to those of IDPs. The detection of high D/H ratios in some interstellar molecular species, and the knowledge that many of the organics, such as hydroxy and amino acids, in primitive meteorites are D-enriched provides evidence for a connection between intact organic material in the interstellar medium and in meteorites. Thus, some of the oxidized aromatics, amphiphiles, amino acids, hydroxy acids, and other compounds found in meteorites may have had an interstellar ancestry and not solely a product of parent body aqueous alteration. Such compounds should also be targeted for searches of organics in cometary dust.

Dworkin, J. P.↗
NASA NTRS1973

Laboratory simulation of graphite formation in stellar envelopes

A technique has been developed which permits laboratory simulation of graphite condensation in the envelopes of cool, late sequence stars. Processes in the stellar envelope were simulated by allowing hydrogen-carbon mixtures of typical circumstellar composition and temperature to expand freely into vacuum, cooling and supersaturating the vapor. Expansion products were determined mass spectrometrically through the use of molecular beam techniques. The results of laboratory expansions were scaled to those occurring near M and N stars by comparing the number of collisional events in each case. Kinetic considerations indicate that the important rate process in rarefied envelopes will be C2 formation; consequently scaling by termolecular collisions was employed. Results of this study imply that envelope expansions near M giants contribute at most .01 of the observed interstellar grain density. In the case of pulsating N stars, on the other hand, the results are not inconsistent with previous predictions of essentially complete carbon condensation.

Dorfeld, W. G.↗
NASA NTRS1986

Concentration independent absolute intensity determinations A new method

Attention is given to the means for obtaining, independently of any data on molecular concentration, the absolute intensity determinations on the basis of relative line intensity measurements conducted across the vibration-rotation band of a diatomic molecule. This approach is important for the vibrational fundamental bands of diatomic molecules, which cannot be studied by the lifetime method; its application will be especially significant in the case of diatomic radical species whose concentrations can only be indirectly inferred.

Chackerian, C., Jr.↗
NASA NTRS1975

Silicon ions below 100 km - A case for SiO2/+/

An investigation regarding the occurrence of Si ions is conducted, taking into account an unusual metal ion structure observed during a meteor shower event. Loss processes involving silicon oxides are considered in connection with a study of the reasons for the unique Si(+) distribution found. It is suggested that below 100 km Si(+) is rapidly depleted by two- and three-body reactions with molecular oxygen, forming SiO2(+) which then recombines.

Goldberg, R. A.↗
NASA NTRS2018

Reynolds-Stress Budgets in an Impinging Shock Wave/Boundary-Layer Interaction

Implicit large-eddy simulation (ILES) of a shock wave/boundary-layer interaction (SBLI) was performed. Comparisons with experimental data showed a sensitivity of the current prediction to the modeling of the sidewalls. This was found to be common among various computational studies in the literature where periodic boundary conditions were used in the spanwise direction, as was the case in the present work. Thus, although the experiment was quasi-two-dimensional, the present simulation was determined to be two-dimensional. Quantities present in the exact equation of the Reynolds-stress transport, i.e., production, molecular diffusion, turbulent transport, pressure diffusion, pressure strain, dissipation, and turbulent mass flux were calculated. Reynolds-stress budgets were compared with past large-eddy simulation and direct numerical simulation datasets in the undisturbed portion of the turbulent boundary layer to validate the current approach. The budgets in SBLI showed the growth in the production term for the primary normal stress and energy transfer mechanism was led by the pressure strain term in the secondary normal stresses. The pressure diffusion term, commonly assumed as negligible by turbulence model developers, was shown to be small but non-zero in the normal stress budgets, however it played a key role in the primary shear stress budget.

shock wave/boundary-layer interactio↗