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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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A three-dimensional parabolic Navier-Stokes code, PEPSIG, was used to analyze the flow in the subsonic diffuser section of a typical modern inlet design. The effect of curvature of the diffuser centerline and transitioning cross sections was studied to determine the primary cause of flow distortion in the duct. Total pressure values at the engine compressor face are reported.
Carbonation can be a major aging process during disposal of alkaline cementitious waste forms and can impact constituent leaching by changes in material alkalinity, pore structure, and controlling mineral phases. The effect of carbonation on the leaching of major and trace constituents from Cast Stone, a cementitious waste form developed to treat high salt content low activity waste, was studied through a combination of leaching experiments and reactive transport simulations. Diffusive transport of constituents in the waste form was evaluated using reactive transport modeling of diffusion-controlled leaching test results and a geochemical speciation model derived from pH-dependent leaching. Comparisons between Cast Stone materials aged under nitrogen, air, and 2% carbon dioxide in nitrogen showed that carbonation impacts solubility, physical retention and observed diffusivity of major and trace constituents. Carbonation under 2% CO 2 decreased the diffusion-controlled leaching of chromium by two orders of magnitude. Finally, modeling results suggest that carbonation may also decrease solubility of technetium while changes to microstructure by carbonation increases effective diffusivity of constituents in Cast Stone.
Current fire suppression plans for the International Space Station include the use of venting (depressurization) as a method for extinguishing a fire. Until recently this process had only been examined as part of a material flammability experiment performed on Skylab in the early 1970's. Due to the low initial pressure (0.35 Atm) and high oxygen concentration (65%), the Skylab experimental results are not applicable for understanding the effects of venting on a fire in a space station environment (21%O2, 1 Atm). Recent research examined the extinction behavior of a diffusion flame over a polymethyl methacrylate (PMMA) cylinder during a transient depressurization in low-gravity. The numerical model was used to examine extinction limits as a function of depressurization rate, forced flow velocity, and initial solid phase temperature. The experimental and numerically predicted extinction data indicated that as the solid phase temperature increased the pressure required to extinguish the flame decreased. The numerical model was also used to examine conditions not obtainable in the low-gravity experiments. From these simulations, a series of extinction boundaries were generated that showed a region of increased flammability existed at a forced flow of 10 cm/s. Analysis of these extinction boundaries indicated that they were quasi-steady in nature, and that the final extinction conditions were independent of the transient process. The velocity range in the previous study was limited and thus the results did not examine the effects of velocities less than 1 cm/s or greater than 20 cm/s. This study utilized low-gravity experiments performed on NASA's Reduced-gravity Research Aircraft Laboratory and numerical simulations to examine conditions applicable to the Space Station environment. This paper extends the analysis of the previous study to a comprehensive examination of the effect of increased velocity on extinction behavior and extinction limits during a transient depressurization in low-gravity. This is achieved by examining extinction data from buoyant (normal-gravity) and low-buoyant (low-gravity) depressurization. experiments, as well as from numerical predictions of flame behavior during depressurization in a non-buoyant (zero-gravity) environment.
Semiconductor crystals such as Hg(1-x)CD(x)Te grown by unidirectional solidification Bridgmann method have shown compositional segregations in both the axial and radial directions. Due to the wide separation between the liquidus and the solidus of its pseudobinary phase diagram, there is a diffusion layer of higher HgTe content built up in the melt near the melt-solid interface which gives a solute concentration gradient in the axial direction. The value of effective diffusion coefficient calculated from fitting of the data to 1D model varies with Hg(1-x)Cd(x)Te growth conditions. This indicates that the growth condition of the Hg(1-x)Cd(x)Te is not purely diffusion controlled. Because of the higher thermal conductivity in the melt than that in the crystal in the growth system, there is a thermal leakage through the fused silica crucible wall near the melt-solid interface. This gives a thermal gradient in the radial direction. Hart, and Thorpe, Hutt and Soulsby have shown that under such conditon a fluid will become convectively unstable as a result of different diffusitivities of temperature and solute. It is quite important to understand the effects of this thermosolute convection on the compositonal segregation in both axial and radial directions in the unidirectionally solidified crystals under various gravitational directions. To reach this goal, we start with a simplified problem to study the effects of thermal-solutal convection on the temperature and solutal fields under various gravitional orientations. We begin by reviewing model governing equations.
Spinels are important complex oxides for use in radiation damage environments and resulting from the corrosion of steels. It is known that, in these environments, normal spinels exist with some concentration of antisite cation pairs known as inversion. In this work we show that even in highly disordered states characterized by high levels of inversion, spinel still shows some short range order (SRO) that manifests itself in antisite chains. The propensity to form these antisite chains is confirmed through Monte Carlo simulations which find that the length of chains which can form depend on the spinel chemistry. We also consider the effect of antisite chains on the diffusivity of cation vacancies and find the effect strongly depends on the spinel chemistry. At the extremes, chains in FeCr2O4 significantly increase vacancy transport but in MgAl2O4 chains have the inverse effect of drastically reducing vacancy mobility. The explanation of these dramatically different effects results from the assessment of the thermodynamic stability of the antisite chains and contrasting attractive/repulsive interactions of vacancies with the chains.
The general goal of this NASA Grant is twofold: to improve our understanding of (1) the influence of buoyancy on the stability and structure of Burke-Schumann type diffusion flames, and (2) the effects of buoyancy on vortex-flame interactions in co-flow diffusion flames. A numerical code with a higher order accuracy for spatial discretization is developed in this project for simulation of time-dependent diffusion flames by Sheu and Sheu and Chen, and an extended reduced mechanism is incorporated for prediction of methane oxidation and NO(x)(NO, NO2, and N2O) formation and emission from methane Burke-Schumann diffusion flame (BSDF) as reported in Sheu, and Sheu and Chen. Initial investigation of vortex and flame interaction within the context of fast chemistry is reported. Experiments are conducted in reduced pressure to study the lift-off and stabilization of methane-fueled BSDF in reduced buoyancy environments due to reduced pressure. Measurements of temperature and species concentrations are made in normal and reduced pressure environments to study the effects of buoyancy on the structure of BSDF, and will be reported in this paper. To study the buoyancy effects on the lift-off and stabilization of methane-fueled jet diffusion flames in coflowing air, a glovebox investigation, Enclosed Laminar Flames (ELF), has been proposed and approved for space-based testing on the fourth United States Microgravity Payload (USMP-4) mission, scheduled for October 1997. A brief description of the ELF investigation is also presented.
The present study of hypercritical accretion flows onto neutron stars considers steady-state, spherically symmetric flows whose accretion rate range is characterized by the carrying away of gravitational-accretion energy by neutrinos. The models used encompass pair production, radiation diffusion, and general relativistic effects. While pair pressure dominates throughout the accretion envelope when accretion rates above about 100 solar masses/yr, radiation diffusion becomes important when the accretion rate falls below about 0.001 solar masses/yr. At the lower accretion rates, free fall toward the neutron-star surface stops and an extended, quasi-static, radiation pressure-supported envelope emerges which is probably dynamically unstable.
Energy efficiency technologies (EETs) are crucial for saving energy and reducing carbon dioxide emissions. However, the diffusion of EETs in small and medium-sized enterprises is rather slow. Literature shows the interactions between innovation adopters and potential adopters have significant impacts on innovation diffusion. Enterprises lack the motivation to share information, and EETs usually lack observability, which suppress the inter-firm influence. Thus, an information platform, together with proper policies encouraging or forcing enterprises to disclose EET-related information, should help harness inter-firm influence to accelerate EETs' diffusion. To explore whether and how such an information platform affects EETs' diffusion in small and medium-sized enterprises, this report builds an agent-based model to mimic EET diffusion processes. Based on a series of controlled numerical experiments, some counter-intuitive phenomena are discovered and explained. The results show that the information platform is a double-edged sword that notably accelerates EETs' diffusion by approximately 47% but may also boost negative information to diffuse even faster and delay massive adoption of EETs. Increasing network density and the intensity of inter-firm influence are effective to speed EET diffusion, but their impacts diminish drastically after reaching some critical values (0.05 and 0.15 respectively) and eventually harm the stability of the system. Ultimately, the findings implicate that EET suppliers should carefully launch their promising but immature products; policies that can reduce the perceived risk by enterprises and the effort to maintain an informative rather than judgmental information platform can prominently mitigate the negative side effects brought by high fluidity of information.
Long standing theoretical predictions [1-3], as well as recent spacecraft observations [4] indicate that large quantities of ice is present in the high latitudes upper decimeters to meters of the Martian regolith. At shallower depths and warmer locations small amounts of H2O, either adsorbed or free, may be present transiently. An understanding of the evolution of water based on theoretical and experimental considerations of the processes operating at the Martian environment is required. In particular, the porosity, diffusivity, and permeability of soils and their effect on water vapor transport under Mars-like conditions have been estimated, but experimental validation of such models is lacking. Goal: Three related mechanisms may affect water transport in the upper Martian regolith. 1) diffusion along a concentration gradient under isobaric conditions, 2) diffusion along a thermal gradient, which may give rise to a concentration gradient as ice sublimes or molecules desorb from the regolith, and 3) hydraulic flow, or mass motion in response to a pressure gradient. Our combined theoretical and experimental investigation seeks to disentangle these mechanisms and determine which process(es) are dominant in the upper regolith over various timescales. A detailed one-dimensional model of the upper regolith is being created which incorporates water adsorption/ desorption, condensation, porosity, diffusivity, and permeability effects. Certain factors such as diffusivity are difficult to determine theoretically due to the wide range of intrinsic grain properties such as particle sizes, shapes, packing densities, and emergent properties such as tortuosity. An experiment is being designed which will allow us to more accurately determine diffusivity, permeability, and water desorption isotherms for regolith simulants.
The effects of three different droplet heating models on the vaporization history and internal structure of turbulent liquid fuel sprays were investigated. The models considered were the infinite-diffusion, diffusion-limit, and effective-conductivity models. A numerical solution for the models was developed and implemented in the KIVA-II computer code. Low temperature and relatively high temperature numerical studies were conducted. The low temperature computations were compared with existing experimental data. The comparisons showed that while the infinite-diffusion and diffusion-limit models respectively overpredicted and underpredicted the fuel vapor peak concentration and distribution in the combustor, the effective-conductivity model gave results that were in better agreement with measurements. A limited study for the high temperature case was performed due to lack of experimental data and predictions using the three models were compared with each other.
We calculate the magnetic moments of light nuclei $( A < 20 )$ using the auxiliary field diffusion Monte Carlo method and local two- and three-nucleon forces with electromagnetic currents from chiral effective field theory. For all nuclei under consideration, we also calculate the ground-state energies and charge radii. We generally find a good agreement with experimental values for all of these observables. For the electromagnetic currents, we explore the impact of employing two different power counting schemes, and study theoretical uncertainties stemming from the truncation of the chiral expansion order by order for select nuclei within these two approaches. In conclusion, we find that it is crucial to employ consistent power counting schemes for interactions and currents to achieve a systematic order-by-order convergence.
The surface roughness of a thin film at a liquid interface exhibits contributions of thermally excited fluctuations. This thermal roughness depends on temperature (𝑇), surface tension (𝛾), and elastic material properties, specifically the bending modulus (𝜅) of the film. A nonzero 𝜅 suppresses the thermal roughness at small length scales compared to an interface with zero 𝜅, as expressed by the power spectral density of the thermal roughness. The description of the x-ray scattering of the standard capillary wave model (CWM), which is valid for zero 𝜅, is extended to include the effect of 𝜅. The extended CWM (eCWM) provides a single analytical form for both the specular x-ray reflectivity (XRR) and the diffuse scattering around the specular reflection, and recovers the expression of the CWM at its zero 𝜅 limit. This theoretical approach enables the use of single-shot grazing incidence x-ray off-specular scattering (GIXOS) measurements for characterizing the structure of thin films on a liquid surface. The eCWM analysis approach decouples the thermal roughness factor from the surface scattering signal, providing direct access to the intrinsic surface-normal structure of the film and its bending modulus. Moreover, the eCWM facilitates the calculation of reflectivity at any desired resolution (pseudo-XRR approach). The transformation into pseudo-XRR provides the benefit of using widely available XRR software to perform GIXOS analysis. The extended range of the vertical scattering vector (𝑄 𝑧 ) available with the GIXOS pseudo-XRR approach allows for a higher spatial resolution than with conventional XRR. Experimental results are presented for various lipid systems, showing strong agreement between conventional specular XRR and pseudo-XRR methods. This agreement validates the proposed approach and highlights its utility for analyzing soft, thin films.
The structure, ignition, and stabilization mechanisms for a methanol (CH3OH)-air triple flame are studied using Direct Numerical Simulations (DNS). The methanol (CH3OH)-air triple flame is found to burn with an asymmetric shape due to the different chemical and transport processes characterizing the mixture. The excess fuel, methanol (CH3OH), on the rich premixed flame branch is replaced by more stable fuels CO and H2, which burn at the diffusion flame. On the lean premixed flame side, a higher concentration of O2 leaks through to the diffusion flame. The general structure of the triple point features the contribution of both differential diffusion of radicals and heat. A mixture fraction-temperature phase plane description of the triple flame structure is proposed to highlight some interesting features in partially premixed combustion. The effects of differential diffusion at the triple point add to the contribution of hydrodynamic effects in the stabilization of the triple flame. Differential diffusion effects are measured using two methods: a direct computation using diffusion velocities and an indirect computation based on the difference between the normalized mixture fractions of C and H. The mixture fraction approach does not clearly identify the effects of differential diffusion, in particular at the curved triple point, because of ambiguities in the contribution of carbon and hydrogen atoms' carrying species.
This paper presents the correlation between the through-thickness thermal diffusivity and the porosity of composites. Finite element analysis (FEA) was used to determine the transient thermal response of composites that were subjected to laser heating. A series of finite element models were built and thermal responses for isotropic and orthographic materials with various thermal diffusivities subjected to different heating conditions were investigated. Experiments were conducted to verify the models and to estimate the unknown parameters such as the amount of heat flux. The analysis and experimental results show good correlation between thermal diffusivity and porosity in the composite materials. They also show that both laser and flash heating can be used effectively to obtain thermal diffusivity. The current infrared thermography system is developed for use with flash heating. The laser heating models and the FEA results can provide useful tools to develop practical thermal diffusivity measurement scheme using laser heat.
Cu-exchanged zeolites rely on mobile solvated Cu + cations for their catalytic activity, but the role of the framework composition in transport is not fully understood. Ab initio molecular dynamics simulations can provide quantitative atomistic insight but are too computationally expensive to explore large length and time scales or diverse compositions. We report a machine-learning interatomic potential that accurately reproduces ab initio results and effectively generalizes to allow multinanosecond simulations of large supercells and diverse chemical compositions. Biased and unbiased simulations of [Cu(NH 3 ) 2 ] + mobility show that aluminum pairing in eight-membered rings accelerates local hopping and demonstrate that increased NH 3 concentration enhances long-range diffusion. The probability of finding two [Cu(NH 3 ) 2 ] + complexes in the same cage, which is key for SCR-NOx reaction, increases with Cu content and Al content but does not correlate with the long-range mobility of Cu + . Supporting experimental evidence was obtained from reactivity tests of Cu-CHA catalysts with a controlled chemical composition.
In a system with one conserved charge the charge diffusion is modified by nonlinear self-interactions within an effective field theory (EFT) of diffusive fluctuations. We include the slowest ultraviolet (UV) mode, constructing a UV-regulated EFT. The relaxation time of this UV mode is protected from renormalization, as supported by experimental data in a bad metal system. Furthermore, the retarded density-density Green’s function acquires four branch points, eventually increasing the range of applicability. We discuss the fate of long time tails as well as implications for the quark gluon plasma. Published by the American Physical Society 2024
Conventional rate theory often uses the mean field concept to describe the effect of inhomogeneous microstructures on the evolution of radiation induced defect and solute/fission product segregation. However, the spatial and temporal evolution of defects and solutes determines the formation and spatial distribution of radiation-induced second phase such as precipitates and gas bubbles/voids, especially in materials with complicated microstructures and subject to high dose radiation. In this work, a microstructure-dependent model of radiation-induced segregation (RIS) has been developed to investigate the effect of inhomogeneous thermodynamic and kinetics properties of defects on diffusion and accumulations of solute A in AB binary alloys. Four independent concentrations: atom A, interstitial A, interstitial B, and vacancy on [A, B] sublattice are used as field variables to describe temporal and spatial distribution and evolution of defects and solute A. The independent concentrations of interstitial A and interstitial B allow to describe their different generation rates, thermodynamic and kinetic properties, and release the assumptions of interstitial generation and sink strength used in the conventional rate theory. Microstructure and concentration dependent chemical potentials of defects are used to calculate the driving forces of defect diffusions. With the model, the effects of defect chemical potentials and mobilities on the RIS in polycrystalline AB model alloys have been simulated. The results demonstrated the model capability in predicting defect evolution in materials with inhomogeneous thermodynamic and kinetic properties of defects. The model can be extended to materials with complicated microstructures such as a wide range of grain size distribution, coating structure and multiphases as well as radiation-induced precipitation subject to severe radiation damage.
Measurements were taken to determine the effects that solar cell processing steps have on the minority carrier lifetime in silicon. The experimental work included measurements of diffusion lengths of the silicon at various stages of cell fabrication, of solar cell properties, and of the PN junction properties for ingots covering a wide range of doping and other ingot properties. Resistivities covered the range of 0.01 to 10 ohm-cm, and combinations of extreme concentrations (high and low) of dislocations and oxygen were included. The results showed that the major cell process steps did not usually cause any appreciable change in diffusion lengths. The solar cell currents obtained supported the diffusion length measurements. The effects of heavy doping concentrations on solar cell performance were studied. Attempts were made to relate the voltage behavior of the cells with the diode properties and the properties of the ingots.