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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Theoretical Analysis of Experimental Data of Sodium Diffusion in Oxidized Molybdenum Thin Films

In this work, the diffusion process of sodium (Na) in molybdenum (Mo) thin films while it was deposited on soda lime glass (SLG) was studied. A small amount of oxygen was present in the chamber while the direct-current (DC) magnetron sputtering was used for the deposition. The substrate temperatures were varied to observe its effect. Such molybdenum films, with or without oxidations, are often used in thin film solar cells, either as back contact or as hole transport layers. Secondary ion mass spectrometry (SIMS) was used to quantify the concentration of the species. A grain diffusion mechanistic model incorporating the effect of grain and grain boundary geometrical shape and size was developed. The model was used to provide an in-depth theoretical analysis of the sodium diffusion in molybdenum thin films that lead to the measured SIMS data. It was observed that not only diffusion coefficients should be considered when analyzing diffusion processes in thin films but also the ratio of grain boundary size to grain size. Both depend on substrate temperature and directly affect the amount of diffused species in the film. The data were analyzed under the light of the film growth speed versus diffusion front speed, the effect of oxygen content, and the effect of substrate temperature on the overall diffusion process. The temperature inversely affects the ratio of grain boundary size and grain size and directly affects the diffusion coefficient, which leads to a preferable temperature at which the highest amount of alkali can be found in the film.

36 MATERIALS SCIENCE↗
NASA NTRS1952

Pressure recovery, drag, and subcritical stability characteristics of conical supersonic diffusers with boundary-layer removal

A study of two 20 degrees half-angle, low mass-flow ratio conical supersonic inlets with cone boundary-layer bleed was made on a 16-inch ram-jet engine in the Lewis 8- by 6-foot supersonic wind tunnel. A greater stable subcritical range of operation was obtained with the bleed inlets than with the corresponding inlet without boundary-layer bleed. The drag added by the bleed system was small.

Obey, Leonard T↗
NASA NTRS2000

Numerical Simulation of a Chemically Reacting Sorbent Bed for LSS Applications

A detailed numerical model of a chemisorption bed has been developed. The model is based on the constant pressure mass transport equation for gaseous flow through a packed bed, and the equation for diffusion and reaction within a spherical particle. Because there is a wealth of data from the NASA and the Navy bodies of literature, the LiOH-H2O-CO2 system is chosen for application of the model and interpretation of results. Prior models of this system from the life support literature are limited. The current model incorporates many of the features of elaborate models developed for investigation of industrial systems or energy applications (e.g., coal, desulphurization): it distinguishes bulk convection and bed dispersion; mass transport to the particle surface, transport within the particle, and reaction. It uses the nonsteady (not pseudo-steady state) form of the equations. The chemistry is modeled as a multi-step, reversible reaction with evolving solid structure. The resulting system of equations is large. The ODEPACK family of solvers is used to integrate the system. Reaction coefficients are determined by experiment. Typical results of the model are illustrated with mission input parameters. Using the model, an explanation is offered for 1) the varied performance results found after pre-breathing (or after simulated pre-breathe conditions), 2) interrupted use and 3) low temperature use. In addition, options for a reusable canister are explored. The computational resource implications of adding energy equations are discussed briefly, as are applicability to other relevant space and undersea systems.

Luna, Bernadette↗
DOE OSTI2020

Determining the hydration energetics on carbon-supported Ru catalysts: An adsorption calorimetry and density functional theory study

Fundamental knowledge on the energetics at the interface between a water layer and a metal catalyst is essential so as to understand the roles that water can play in the synthesis, activation and regeneration of noble metal-based catalysts. Here, we report the direct measurement of the enthalpy of water adsorption (Δh ads ) on activated carbon (C) and activated C-supported Ru nanoparticles, which are promising catalyst as applied to the hydrogenation/hydrodeoxygenation (HDO) of oxygenates (phenolics, aldehydes, etc.). Specifically, the near-zero coverage enthalpy of water adsorption on a C-supported Ru catalyst is -75.3 ± 0.4 kJ/(mol water), suggesting favorable water–metal binding. This is much more exothermic than that on C, which has an enthalpy of adsorption of -50.3 ± 1.3 kJ/(mol water). Despite the favorable initial binding, the magnitudes of enthalpies of water condensation on C and Ru-C indicate that overall, their surfaces are both hydrophobic. Moreover, the experimentally-measured near-zero coverage water adsorption enthalpy at the Ru sites is in very good agreement with our density functional theory based calculations. At low coverages, we obtain a water binding energy of -61.7 kJ/(mol water), which increases to -78.1 kJ/(mol water) at saturation. Complementary results are also obtained from a thermal analysis, which employed a thermogravimetric analysis–differential scanning calorimetry–mass spectrometry (TG-DSC-MS), a spectroscopic investigation using ex situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and a morphological evaluation with transmission electron microscopy (TEM). We point out that in carbon-supported metal catalysts, such as Ru-C, a strong hydration at near-zero coverage and relative weak water-surface interactions occurs upon saturation. Such heterogeneity is essential and crucial for catalytic hydrogenation/HDO reactions that involve balanced interactions among the water-rich reactant mixture and nonpolar organic products.

09 BIOMASS FUELS↗
DOE OSTI2021

Air separation via two-step solar thermochemical cycles based on SrFeO 3-δ and (Ba,La) 0.15 Sr 0.85 FeO 3-δ perovskite reduction/oxidation reactions to produce N 2 : rate limiting mechanism(s) determination

Two-step solar thermochemical cycles based on reversible reactions of SrFeO 3–δ and (Ba,La) 0.15 Sr 0.85 FeO 3–δ perovskites were considered for air separation. The cycle steps encompass (1) the thermal reduction of SrFeO 3–δ or (Ba,La) 0.15 Sr 0.85 FeO 3–δ perovskites driven by concentrated solar irradiation and (2) oxidation in air to remove O 2 and produce N 2 . Rate limiting mechanisms were examined for both reactions using a combination of isothermal and non-isothermal thermogravimetry for temperature-swings between 673 and 1373 K, heating rates of 10, 20, and 50 K min –1 , and O 2 pressure-swings between 20% O 2 /Ar and 100% Ar at atmospheric pressure. Evolved O 2 and associated lag due to transport behavior were measured with gas chromatography and used with measured sample temperatures to predict equilibrium compositions from a compound energy formalism thermodynamic model. Measured and predicted chemical equilibrium changes in deviation from stoichiometry were compared. Rapid chemical kinetics were observed as the samples equilibrated rapidly for all conditions, indicative that heat and mass transfer were the rate limiting mechanisms. Furthermore, the effects of bulk diffusion (or gas diffusion through the bed or pellet) were examined using pelletized and loose powdered samples and determined to have no discernable impact.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Scalar flux transport models for self-similar turbulent mixing

A common approach to closing turbulent species flux in multicomponent Reynolds-averaged Navier-Stokes models is to use the standard gradient diffusion approximation. While such an approach has been shown to work well when applied to many canonical turbulent mixing configurations, a gradient diffusion approach is fundamentally limited in its ability to capture complex phenomena such as countergradient transport. For this reason, complicated mixing applications may benefit by treating the turbulent diffusivity with a model transport equation in a manner analogous to second-moment momentum closure in Reynolds-stress transport models. Here, the present work explores the development and application of two different scalar flux transport (SFT) models. Self-similarity constraints are derived for these models, and they are evaluated against gradient-diffusion-based models in several one- and two-dimensional problems of turbulent mixing. It is found that the new SFT models out-perform gradient diffusion models in problems involving rapid acceleration reversal and in problems involving anisotropic transport of materials. In addition, it is found that even a hybrid-SFT approach, in which an SFT equation is utilized along with a gradient diffusion closure, provides some measure of improvement over models that transport the mass flux rather than the scalar flux.

Reynolds-averaged Navier Stokes↗
DOE OSTI2021

A Liquid–Vapor Two-Phase Model of Direct Methanol Fuel Cells With Platinum Group Metal-Free Cathode Catalyst

Abstract This study has developed a two-dimensional, two-phase transport model to investigate the transport characteristics in direct methanol fuel cells (DMFCs) using platinum group metal (PGM)-free cathode catalysts. The model considered anisotropic properties of the gas diffusion layer (GDL) caused by current collector’s mechanical compression, the interfacial mass transfer of water and methanol between liquid and vapor, and unique properties of the cathode PGM-free catalyst layer. Results showed that the liquid methanol solution from the anode could provide sufficient water to hydrate the proton exchange membrane (PEM), and the relative humidity of the cathode air did not impact the membrane hydration. Fully hydrating the cathode air may deteriorate the fuel cell performance, especially when the operating temperature is close to 100 °C because the exponential increase of the saturated water pressure with temperature decreased the partial pressure of oxygen. The optimized operating temperature increased with the increase of air pressure and was about 80 °C at 1.5 atm cathode pressure. To achieve the US Department of Energy’s performance target of 300 mW/cm2 peak power density, catalytic activities of both the anode and cathode catalysts need to be improved by one order of magnitude compared with the state-of-the-art commercial catalysts.

Electrochemistry↗
DOE OSTI2026

Analysis of vapor diffusion Nb$^{3}$Sn coating at Fermilab: Minimizing impurities using TOF-SIMS

Nb₃Sn demonstrates steady advancements nowadays offering reduced power cost in superconducting radio-frequency cavities due to its high critical temperature, quality factor, and achieved accelerating gradient. However, theoretical estimates of its radio-frequency parameters have not been achieved due to several potentially limiting mechanisms: tin spots, patchy regions, defects, thermal impedance, and impurities. While some of these limitations have been intensively studied, impurity analysis in Nb$_3$Sn coatings have received less attention. We report an investigation of impurities in several vapor-diffused Nb₃Sn coated samples using time-of-flight secondary ion mass spectroscopy (TOF-SIMS) and show allowable impurity levels in view of superconducting cavity performance. Challenges and lessons learned in maintaining clean Nb$_3$Sn coatings are also discussed.

Tagdulang, Nikki [Fermilab]↗
NASA NTRS1973

Thermospheric wind effects on the global distribution of helium in the earth's upper atmosphere

The momentum and continuity equations for a minor gas are combined with the momentum equation for the major constituents to obtain the time dependent continuity equation for the minor species reflecting a wind field in the background gas. This equation is used to study the distributions of helium and argon at times of low, medium, and high solar activity for a variety of latitudinal-seasonal wind cells. For helium, the exospheric return flow at the higher thermospheric temperatures dominates the distribution to the extent that much larger latitudinal gradients can be maintained during periods of low solar activity than during periods of high activity. By comparison to the exospheric flow, the smoothing effect of horizontal diffusion is almost negligible. The latitudinal variation of helium observed by satellite mass spectrometers can be reproduced by the effect of a wind system of air rising in the summer hemisphere, flowing across the equator with speeds on the order of 100 to 200 m/sec, and descending in the winter hemisphere. Argon, being heavier than the mean mass in the lower thermosphere, reacts oppositely to helium in that it is enhanced in the summer hemisphere and depleted in the winter.

Reber, C. A.↗
NASA NTRS1974

Theoretical and experimental investigation of 'grating' type photovoltaic cells

The fabrication procedure and properties of 'grating' cells made by forming a fine grating pattern of aluminum alloyed into n-silicon wafers are described. The finest grating lines achieved in the cells described were 5 microns; the smallest spacing was about 15 microns. The best temperature for alloying was found to be about 600 C, a bit above the Si-Al eutectic temperature (576 C). The short-circuit current obtained from the best of these cells exposed to 100 mW/sq cm of (simulated air mass zero) illumination was at least equal to that obtained from conventional diffused cells, but their open-circuit voltage was lower. Their quantum yield was strongly blue-shifted; it was flat from 4000 to 8500 A.

Loferski, J. J.↗
NASA NTRS1976

Boundary layer bleed system study for a full-scale, mixed-compression inlet with 45 percent internal contraction

The results of an experimental bleed development study for a full-scale, Mach 2.5, axisymmetric, mixed-compression inlet were presented. The inlet was designed to satisfy the airflow requirements of the TF30-P-3 turbofan engine. Capabilities for porous bleed on the cowl surface and ram-scoop/flush-slot bleed on the centerbody were provided. A configuration with no bleed on the cowl achieved a minimum stable, diffuser exit, total pressure recovery of 0.894 with a centerbody-bleed mass flow ratio of 0.02. Configurations with cowl bleed had minimum stable recoveries as high as 0.900 but suffered range decrement penalties from the increased bleed mass flow removal. Limited inlet stability and unstart angle-of-attack data are presented.

Shaw, R. J.↗
NASA NTRS1977

Experimental performance of a 16.10-centimeter-tip-diameter sweptback centrifugal compressor designed for a 6:1 pressure ratio

A backswept impeller with design mass flow rate of 1.033 kg/sec was tested with both a vaned diffuser and a vaneless diffuser to establish stage and impeller characteristics. Design stage pressure ratio of 5.9:1 was attained at a flow slightly lower than the design value. Flow range at design speed was 6 percent of choking flow. Impeller axial tip clearance at design speed was varied to determine effect on stage and impeller performance.

Klassen, H. A.↗
NASA NTRS1980

The settling of helium and the ages of globular clusters

Model low-mass globular-cluster stars were evolved with their helium allowed to diffuse under the influence of gravity, thermal diffusion, and concentration gradient. The evolution tended to speed up. Also, the turnoff point moved toward lower luminosity and slightly lower surface temperature. If the luminosity at turnoff is used as the sole criterion for determining the age of a globular cluster, the inferred ages of such clusters are reduced by about 22% from starting values in the vicinity of 15 billion years.

Noerdlinger, P. D.↗
NASA NTRS1981

Vertical transport and photochemistry in the terrestrial mesosphere and lower thermosphere /50-120 km/

A study is conducted of the coupled effects of kinetics, solar cycle flux variations, and vertical transport on the distribution of long-lived hydrogen-carbon-oxygen compounds in the terrestrial mesosphere and lower thermosphere, using a one-dimensional aeronomy model. The calculations account for the important chemical reactions and use rocket measurements of the solar flux at solar minimum and maximum. Photodissociation rates appropriate for the mesosphere are determined with a spherical shell atmosphere formalism. Detailed corrections for the O2 Schumann-Runge bands and the temperature dependence of the CO2 cross sections are used. An eddy diffusion profile is derived which is in agreement with the Aladdin 74 mass spectral measurements of atomic O, O2, CO2, and Ar in the lower thermosphere and observations of the O3 minimum at about 80 km.

Allen, M.↗
NASA NTRS1983

Models of the formation of the solar nebula

Protostellar cloud collapse and solar nebula formation models indicate that the size of the nebula produced will be larger in terms of both gas centrifugal balance R(CF) and collapse time diffusion length R(V). From this, it can be deduced that low mass nebulas are produced if (R(V)/R(CF))-squared is much greater than unity, while nebulas result for values lower than approximately unity. The total angular momentum value distinguishes most current models of the solar nebula. Analytic expressions for the surface density, nebular mass flux and photospheric temperature distributions during the formation stage are presented for simple modes illustrating and general properties of growing protostellar disks.

Cassen, P.↗
NASA NTRS1985

Modelling of Laser-Enhanced Chemical Vapor Deposition

Research is directed at development of a detailed model of mass and heat transfer and chemical reaction in the pyrolysis of silane for the growth of thin amorphous silicon substrates incorporating laser heating of the gas phase above the film. The model will be the basis for evaluation of the relative importances of the decomposition of SiH4 in the vapor phase, mass transfer of the intermediate species, e.g., SiH2, and the evolution of hydrogen gas. Plans are also underway for developing a model for homogeneous nucleation of Si in the vapor phase to model the rate limitations observed at high gas-phase temperatures and high partial pressures of silane. Work was concentrated on an almost one-dimensional model for the coupling of the CO2 laser beam for heat transfer of the vapor phase with simple kinetic models for SiH4 decomposition and subsequent absorption of Si vapor on the substrate. Mass transfer in the vapor phase is assumed to be solely by diffusion. The role of convection in the vapor phase caused by the large changes in density in and around the center of the laser beam will be analyzed to evaluate the potential of microgravity experiments for increasing the uniformity of the film and the deposition rate.

Brown, R. A.↗
NASA NTRS1985

The O2(+) vibrational distribution in the Venusian ionosphere

The vibrational distribution of O2(+) in the ionosphere of Venus was calculated for a model atmosphere (similar to one discribed by Fox, 1982), based on data from the Pioneer Venus neutral mass spectrometer. The calculation of the ion densities includes both chemistry and diffusion. At 100 km, quenching precludes survival of vibrationally excited 02(+). At the exobase, near 200 km, more than half of O2(+) molecules are vibrationally excited. The effects of vibrationally excited O2(+) on the hot oxygen coronas and the airglow are discussed.

Fox, J. L.↗