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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Crystal Lattice Controlled SiGe Thermoelectric Materials with High Figure of Merit

Direct energy conversion between thermal and electrical energy, based on thermoelectric (TE) effect, has the potential to recover waste heat and convert it to provide clean electric power. The energy conversion efficiency is related to the thermoelectric figure of merit ZT expressed as ZT=S(exp 2)(sigma)T/Kappa, T is temperature, S is the Seebeck coefficient, sigma is conductance and Kappa is thermal conductivity. For a lower thermal conductivity Kappa and high power factor (S(exp 2)(sigma)), our current strategy is the development of rhombohedrally strained single crystalline SiGe materials that are highly [111]-oriented twinned. The development of a SiGe "twin lattice structure (TLS)" plays a key role in phonon scattering. The TLS increases the electrical conductivity and decreases thermal conductivity due to phonon scattering at stacking faults generated from the 60 X rotated primary twin structure. To develop high performance materials, the substrate temperature, chamber working pressure, and DC sputtering power are controlled for the aligned growth production of SiGe layer and TLS on a c-plane sapphire. Additionally, a new elevated temperature thermoelectric characterization system, that measures the thermal diffusivity and Seebeck effect nondestructively, was developed. The material properties were characterized at various temperatures and optimized process conditions were experimentally determined. The present paper encompasses the technical discussions toward the development of thermoelectric materials and the measurement techniques.

Kim, Hyun-Jung↗
NASA NTRS1989

An embedded grid formulation applied to delta wings

An embedded grid algorithm for the Euler and/or Navier-Stokes equations is developed and applied to delta wings at high angles of attack in low speed flow. The Navier-Stokes code is an implicit, finite volume algorithm, using flux difference splitting for the convective and pressure terms and central differencing for the viscous and heat transfer terms. Calculations are compared with detailed experimental results over an angle of attack range up to and beyond the maximum lift coefficient, corresponding to vortex breakdown at the trailing edge, for a delta wing nominally of unit aspect ratio. The results indicate that the overall flowfield, including surface pressures, surface streamlines, and vortex trajectories, can be simulated accurately with the global grid version of the present algorithm. However, comparison of computed velocities and vorticity with experimentally measured off-body values at an angle of attack of 20.5 deg indicates the core region is substantially more diffuse in the computations than that measured with either a five-hole probe or a laser velocimeter. Embedded grids, used to improve the numerical discretization in the core region, are formulated within the framework of the implicit, upwind-biased multi-grid algorithm. Structured levels of local nested refinements are made. Three-dimensional results for both Euler and Navier-Stokes calculations are shown, with up to 3 levels of embedded refinement. The embedding procedure was effective in eliminating a crossflow secondary separation produced in the Euler solutions on coarse grids.

Thomas, James L.↗
DOE OSTI2020

Permeation of CO 2 and N 2 through glassy poly(dimethyl phenylene) oxide under steady- and presteady-state conditions

Glassy polymers are often used for gas separations because of their high selectivity. Although the dual-mode permeation model correctly fits their sorption and permeation isotherms, its physical interpretation is disputed, and it does not describe permeation far from steady state, a condition expected when separations involve intermittent renewable energy sources. To develop a more comprehensive permeation model, we combine experiment, molecular dynamics, and multiscale reaction–diffusion modeling to characterize the time-dependent permeation of N 2 and CO 2 through a glassy poly(dimethyl phenylene oxide) membrane, a model system. Simulations of experimental time-dependent permeation data for both gases in the presteady-state and steady-state regimes show that both single- and dual-mode reaction–diffusion models reproduce the experimental observations, and that sorbed gas concentrations lag the external pressure rise. The results point to environment-sensitive diffusion coefficients as a vital characteristic of transport in glassy polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effects of Hydrogen Bonding on Nuclear Data Development of Liquid Anhydrous HF

Anhydrous Hydrogen Fluoride (HF) at high temperatures and pressures is used to process and manufacture nuclear fuel. As HF is often used directly with uranium, correct neutron thermal scattering cross sections are crucial to criticality safety applications. Classical molecular dynamics (CMD) simulation of the flexible HF system was used to create the thermal scattering law (TSL) and cross sections. The initial 2-site model is used in LAMMPS, and it can not capture the H-bond. To correctly represent the H-bond effects, a second, 3-site model was constructed in GROMACS. The 3-site model handled H-bonds by connecting a massless charge to the molecule. Key model parameters were compared to experimental data to verify the approach and models. To get the normalized VACF, the model was compared using hydrogen and fluorine bond length, density, potential energy, and diffusion coefficient. The phonon DOSs for both models were derived from the normalized VACF. DOSs were used to estimate the TSL ( S ( α, β )) and neutron thermal scattering cross sections for hydrogen in HF. The TSLs were evaluated using the FLASSH code with the Schofield diffusion model. It was observed that the representation of the hydrogen bonding changes the TSL's diffusional contributions. This is represented in the low energy scattering cross section, where intermolecular binding effects shift the cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Final-stage densification kinetics of direct current–sinteredZrB2

Final-stage sintering was analyzed for nominally phase pure zirconium diboride synthesized by borothermal reduction of high-purity ZrO2. Analysis was conducted on ZrB2 ceramics with relative densities greater than 90% using the Nabarro–Herring stress–directed vacancy diffusion model. Temperatures of 1900°C or above and an applied uniaxial pressure of 50 MPa were required to fully densify ZrB2 ceramics by direct current sintering. Ram travel data were collected and used to determine the relative density of the specimens during sintering. Specimens sintered between 1900 and 2100°C achieved relative densities greater than 97%, whereas specimens sintered below 1900°C failed to reach the final stage of sintering. The average grain size ranged from 1.0 to 14.7 μm. The activation energy was calculated from the slope of an Arrhenius plot that used the Kalish equation. The activation energy was 162 ± 34 kJ/mol, which is consistent with the activation energy for dislocation movement in ZrB2. The diffusion coefficients for dislocation motion that controls densification were 5.1 × 10−6 cm2/s at 1900°C and 5.1 × 10−5 cm2/s at 2100°C, as calculated from activation energy and average grain sizes. This study provides evidence that the dominant mechanism for final-stage sintering of ZrB2 ceramics is dislocation motion.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Influence of strong Coulomb coupling on diffusion in atmospheric pressure plasmas

Ion diffusion in atmospheric pressure plasmas is examined and particular attention is paid to the fact that ion–ion interactions can be influenced by strong Coulomb coupling. Three regimes are identified. At low ionization fractions (x i ≲ 10 —6 ), standard weakly correlated ion-neutral interactions set the diffusion rate. At moderate ionization fractions (10 —6 ≲ x i ≲ 10 —2 ) there is a transition from ion-neutral to ion–ion collisions setting the diffusion rate. In this regime, the effect of strong Coulomb coupling in ion–ion collisions is accounted for by applying the mean force kinetic theory. Since both ion-neutral and ion–ion interactions contribute a comparable amount to the total diffusion rate, models (such as particle-in-cell or fluid) must account for both contributions. At high ionization fractions (x i ≳ 10 —2 ), strongly correlated ion–ion collisions dominate and the plasma is heated substantially by a disorder-induced heating (DIH) process associated with strong correlations. The temperature increase due to DIH strongly influences the ion diffusion rate. This effect becomes even more important, and occurs at lower ionization fractions, as the pressure increases above atmospheric pressure. In addition to ion diffusion, DIH affects the neutral gas temperature, therefore influencing the neutral diffusion rate. Model predictions are tested using molecular dynamics simulations, which included a Monte Carlo collision routine to simulate the effect of ion-neutral collisions at the lowest ionization fractions. The model and simulations show good agreement over a broad range of ionization fractions. Importantly, the results provide a model for ion diffusion, on a wide range of ionization fractions and pressures, solely considering the elastic contribution to the diffusion coefficient—as an illustration of how strong Coulomb coupling influences diffusion processes in general.

fast neutral gas heating↗
NASA NTRS1996

Design, Construction and Testing of Annular Diffusers for High Speed Civil Transportation Combustor Applications

A theoretical and an experimental design study of subsonic flow through curved-wall annular diffusers has been initiated under this award in order to establish the most pertinent design parameters and hence performance characteristics for such devices, an the implications of their application in the design of engine components in the aerospace industries. The diffusers under this study are expected to contain appreciable regions of stall and the effects of swirl on their performance are being studied. The experimental work involves the application of Computer Aided Design software tool to the development of a suitable annular diffuse geometry and the subsequent downloading of such data to a CNC machine at Central State University (CSU). Two experimental run segments have been completed so far during FY-95 involving flow visualization and diffuser performance evaluation based on Kinetic Energy Dissipation. The method of calculation of the performance of diffusers based on pressure recovery coefficient has been shown to have some shortcomings and so the kinetic energy dissipation approach has been introduced in the run segment two with some success. The application of the discretized, full Navier Stokes and Continuity equations to the numerical study of the problem described above for the time-mean flow is expected to follow. Various models of turbulence are being evaluated for adoption throughout the study and comparisons would be made with experimental data where they exist. Assessment of diffuser performance based on the dissipated mechanical energy would also be made. The result of the investigations are expected to indicate that more cost effective component design of such devices as diffusers which normally contain complex flows can still be achieved.

Okhio, Cyril B.↗
NASA NTRS1986

Ground testing in a simulated auroral environment

Shuttle polar orbit missions are being planned in which astronaut extravehicular activities (EVA) will eventually include external operations or repair and refurbishment of satellites. Recent satellite data and model calculations show that significant spacecraft charging and differential charging occurs in that environment and could endanger equipment and personnel involved in the EVA. These spacecraft charging events take place in response to an intense flux of high energy electrons accompanied by a large drop in the ambient plasma density. The extent of which the auroral environment can be simulated in a large vacuum chamber are determined so that conditions which lead to significant charging and discharging may be observed and controlled. A large chamber would be required in order to simulate the effects of an aurora-like, large cross-section, energetic electron precipitation on a target system the size of an astronaut with a life support system. The precipitating electrons can be simulated with an array of multipactor sources and the background ionization produced by the beam can be limited to the range of the auroral density if the chamber pressure is not significantly above 1 x .000001 Torr. Some small chamber work has shown that the plasma in the beam will diffuse radially at a rate determined by the Bohm diffusion coefficient.

Mcintyre, Bernard↗
NASA NTRS1971

Dynamic upper atmospheric force model on stabilized vehicles for a high-precision trajectory computer program

The upper atmosphere model draws heavily on the behavior of the earth's upper atmosphere which exhibits cyclic as well as irregular variations in density profile, temperature, pressure, and composition in unison with solar activities as deduced from the more recent land-based and satellite observations. The lift and drag model is designed specifically for inertially stabilized vehicles of the Mariner class, with possible extension to gravity gradient stabilized vehicles of the GEOS class. The model considers operation in the free molecular flow regimes with large Knudsen numbers. The vehicle is considered a composite structure with basic components having well-defined shapes, each with its own surface characteristics in terms of temperature, reflectivity, and accommodation of free stream molecules. The model takes into account both the calculation of precise aerodynamic force coefficients in terms of expansion of modified Bessel functions in speed ratios and angle of attack, and approximate force coefficients when the speed ratios approach infinity. Other considerations include specular and diffused reflectivity, shielding, and shadow effects.

Khatib, A. R.↗
DOE OSTI2023

Acceleration of Pd-V intermetallic diffusion by hydrogen

Vanadium-based membranes have great potential for hydrogen purification due to their perfect selectivity, high permeability, and relatively low cost. With appropriate surface cleaning, V efficiently permeates hydrogen at elevated temperature, but performance declines due to its affinity to absorb impurities. Here, the application of palladium thin films maintains a clean surface that catalyzes hydrogen dissociation and recombination. Hydrogen permeation in Pd-V-Pd membranes initially reach theoretical permeability, but declines due to Pd-V interdiffusion. The objective of this work was to quantify the intermetallic diffusion process as a function of temperature and ambient. Pd-V composites were subjected to various annealing treatments and characterized using Auger electron spectroscopy, X-ray diffraction, and energy dispersive X-ray spectroscopy, as well as correlated to measurements of membrane permeability. In an inert environment Pd-V interdiffusion was observable as low as 300 °C, and the diffusion coefficient had an activation energy of 44 kJ/mol. Furthermore, the presence of hydrogen at partial pressures > 10 kPa accelerated interdiffusion six-fold at T = 400 °C. Membrane performance degraded with an activation energy 75 kJ/mol, suggesting that intermetallic diffusion leads to both a loss of catalytic activity and as well as degradation of bulk permeability. These findings provide a baseline for evaluating hydrogen permeable interdiffusion barriers to overcome these challenges.

08 HYDROGEN↗
DOE OSTI2022

High-Temperature 2D Optical Relaxation Visualizes Enhanced Oxygen Exchange Kinetics at Metal-Mixed Conducting Oxide Interfaces

Solid-state heterointerfaces are of interest for emergent local behavior that is distinct from either bulk parent compound. One technologically relevant example is the case of mixed ionic/electronic conductor (MIEC)–metal interfaces, which play an important role in electrochemistry. Metal–MIEC composite electrodes can demonstrate improved catalytic activity vs single-phase MIECs, improving fuel cell efficiency. Similarly, MIEC surface reaction kinetics are often evaluated using techniques that place metal current collectors in contact with the surface under evaluation, potentially altering the response vs the native surface. Here, techniques enabling direct and local in situ observation of the behavior at and around such heterointerfaces are needed. Here, we develop a spatially resolved optical transmission relaxation (2D-OTR) method providing continuous evaluation of local, high-temperature, controlled atmosphere defect kinetics across a ~1 cm2 sample area simultaneously in a contact-free manner. We apply it to observe the spatial variance of oxygen incorporation and evolution rates at ~525–620 °C, in response to step changes in oxygen partial pressure, on MIEC SrTi 0.65 Fe 0.35 O 3–x films as a function of distance from porous Pt and Au layers. Using this model geometry, we find significant enhancements in kinetics adjacent to the metals that decay over a few millimeter distance. To extract kinetic parameters, we fit the short-term optical data (initial portion of relaxations) with an exponential decay function appropriate for surface-exchange-limited kinetics, yielding apparent surface exchange coefficients (k chem ) with spatial resolution, decreasing with distance from the metal. To understand the kinetic processes governing the complete (long-term) optical relaxations, we performed COMSOL simulations, which demonstrated that a combination of laterally varying k chem and in-plane diffusion controls the observed kinetics over the full time range. Further support for spatially varying kchem comes from demonstrations of changing surface and bulk chemistry vs distance from the metal–MIEC interface, by X-ray photoelectron and optical absorption spectroscopies, respectively. Although microporous Pt and Au are not excellent electrodes in isolation, both metals exert a synergistic effect on the oxygen surface exchange rate in the presence of the mixed conducting film.

36 MATERIALS SCIENCE↗
NASA NTRS2020

Inter-species molecular attraction effect in the development of a two-species mixing layer

Simulations of fluid mixing occurring at high-pressures mandate the use of real-fluid equations of state to capture the effect of boh intermolecular repulsive forces and attractive forces which are neglected in perfect gases. Dedicated mixing rules account for these forces by providing a generic mapping of the mixture state-space onto a pure fluid domain. However, the specific inter-species molecular forces depend on the particular characteristics of the molecular pairs under consideration, and typically require the knowledge of binary interaction coefficients k_{αβ}. The impact of k_{αβ} on a flow field is as of now unclear; further, k_{αβ} is unknown for many molecular pairs and when unknown, set to be null. This study addresses the impact of k_{αβ} on the temporal evolution of a real-fluid mixing layer and uses Direct Numerical Simulation (DNS) to explore this impact. The results show differences between augmented attraction (k_{αβ}<0) and diminished attraction (k_{αβ}>0), affecting both fluid dynamics and diffusion processes. Specifically, in a binary mixing layer, it is observed that augmented attraction leads to delayed transition and mixing layer growth, manifested in the momentum layer thickness. The fractal dimension, which is a manifestation of interface corrugation, is calculated. These results provide an hitherto undocumented mechanism affecting the development of mixing layers.

Banuti, Daniel↗
NASA NTRS1973

Ablation of ATJ Graphite at High Temperatures

Results of an extensive experimental program on the ablation of ATJ graphite in air at surface pressures of 0.3 to 4.4 atm and surface temperatures of 2570 to 4030 K are presented. The measured mass-loss rates are correlated with surface temperature, pressure, and effective nose radius. The results are compared with several equilibrium thermochemical ablation theories which differ basically in the chemical species that are considered and in the thermodynamic properties assigned to these species. All the theories predict about the same mass-loss rate in the diffusion-controlled oxidation regime and are in good agreement with the experimental results. At higher temperatures, however, the experimental and theoretical results do not agree. At temperatures above 3700 K, the experimental mass-loss rate becomes independent of pressure and an exponential function of temperature. A comparison of the high-temperature results with the theories indicates that all the theories, except the one based on the thermodynamic properties from the JANAF tables, are invalid because they overpredict the mass-loss rate. On the other hand, the theory based on the JANAF properties underpredicts the measured mass-loss rate by a factor of three at 4000 K. At least a portion of this difference between experiment and theory is attributed to particulate mass loss which is visually observed.

Thermochemical ablation↗
NASA NTRS1967

A Study to Analyze the Permeation of High Density Gases and Propellant Vapors Through Single Layer Teflon or Teflon Structure Materials and Laminations

This report contains the results of a fifteen month analytical and experimental study of the leakage rate of the pressurant gases (N2, He) and the propellant vapors (N2O4,N2H4) through bladder structures consisting of two layers of Teflon separated by a metallic foil diffusion barrier containing microscopic or larger holes. Results were obtained for the steady state leakage rate through circular holes and long rectangular openings in the barrier for arbitrary thicknesses of the two Teflon layers. The effect of hole shape and relative hole position on the leakage rate were studied. The transient problem was analyzed and it was shown that steady state calculations are adequate for estimating the leakage rate. A computer program entitled "Diffusion Analyzer Program" was developed to calculate the leakage rate, both transient and steady state. Finally, the analytical results were compared to experimentally determined values of the leakage rate through a model laminated bladder structure. The results of the analysis are in good agreement with experiment. The experimental effort (Part II of the Bladder Permeation Program) measured the solubility, diffusion coefficient and permeability of helium, nitrogen and nitrogen tetroxide vapor through Teflon TFE and FEP membranes. Data were obtained in the temperature range of 25 to 100 C at pressures ranging from near vacuum to about 20 atmospheres. Results of the experimental effort were compared with the limited data previously reported. As a verification to the applicability of results to actual bladder systems, counter diffusion tests were performed with a laminated sample containing aluminum foil with a selected group of holes.

Johnson, R. L.↗
NASA NTRS1951

Preliminary Investigation of a New Type of Supersonic Inlet

A supersonic inlet with supersonic deceleration of the flow entirely outside of the inlet is considered. A particular arrangement with fixed geometry having a central body with a circular annular intake is analyzed, and it is shown theoretically that this arrangement gives high pressure recovery for a large range of Mach number and mass flow and therefore is practical for use on supersonic airplanes and missiles. For some Mach numbers the drag coefficient for this type of inlet is larger than the drag coefficient for the type of inlet with supersonic compression entirely inside, but the pressure recovery is larger for all flight conditions. The differences in drag can be eliminated for the design Mach number. Experimental results confirm the results of the theoretical analysis and show that pressure recoveries of 95 percent for Mach numbers of 1.33 and 1.52, 92 percent for a Mach number of 1.72, and 86 percent for a Mach number of 2.10 are possible, with the configurations considered. If the mass flow decreases, the total drag coefficient increases gradually and the pressure recovery does not change appreciably. The results of this work were first presented in a classified document issued in 1946.

DIFFUSERS, SUPERSONIC↗
NASA NTRS1980

Analytical and experimental study of mean flow and turbulence characteristics inside the passages of an axial flow inducer

The inviscid and viscid effects existing within the passages of a three bladed axial flow inducer operating at a flow coefficient of 0.065 are investigated. The blade static pressure and blade limiting streamline angle distributions were determined and the three components of mean velocity, turbulence intensities, and turbulence stresses were measured at locations inside the inducer blade passage utilizing a rotating three sensor hotwire probe. Applicable equations were derived for the hotwire data reduction analysis and solved numerically to obtain the appropriate flow parameters. The three dimensional inviscid flow in the inducer was predicted by numerically solving the exact equations of motion, and the three dimensional viscid flow was predicted by incorporating the dominant viscous terms into the exact equations. The analytical results are compared with the experimental measurements and design values where appropriate. Radial velocities are found to be of the same order as axial velocities within the inducer passage, confirming the highly three dimensional characteristic of inducer flow. Total relative velocity distribution indicate a substantial velocity deficiency near the tip at mid-passage which expands significantly as the flow proceeds toward the inducer trailing edge. High turbulence intensities and turbulence stresses are concentrated within this core region. Considerable wake diffusion occurs immediately downstream of the inducer trailing edge to decay this loss core. Evidence of boundary layer interactions, blade blockage effects, radially inward flows, annulus wall effects, and backflows are all found to exist within the long, narrow passages of the inducer.

Gorton, C. A.↗
DOE OSTI2022

Measurement of Helium and Xenon Knudsen permeability in graphite IG-11

Here, understanding the flow and diffusion (transport) of gases through nuclear graphite is of interest in both the prismatic and pebble bed high-temperature gas reactors (HTGRs), for normal operation and under accident conditions, for example, as related to graphite oxidation. Both the laminar and turbulent gaseous transport are of interest. It has also been noted that nuclear graphite can have pore sizes that can possibly lead to non-continuum transport, as the pore size can be comparable to the gaseous mean free path. We report measurements and analyzes of experiments performed with IG-11 graphite in the pressure range of 10 Pa to 14,700 Pa, 293 K, using Helium, and research grade xenon (99.999%), respectively. These values are in fair agreement with those reported for different graphites and gases by other investigators, but are also higher by six orders of magnitude than those reported for Kr permeability in a developmental very low permeability graphite-HXT-90. Our measured ratio of the Helium and Xenon permeabilities is about 4, different from $\sqrt{\frac{m_{Xe}}{m_{He}}}$ ≈ 5.72 that corresponds to diffuse reflection at the graphite surface for both gases. Simple analysis indicates that the two gases have slightly different accommodation coefficients (about 25%) with the graphite surface. However, there could also be other reasons, such as experimental uncertainties or the need for a more detailed analysis.

36 MATERIALS SCIENCE↗