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At least 1,171 records · Page 65

Perovskite-sensitized β-Ga 2 O 3 nanorod arrays for highly selective and sensitive NO 2 detection at high temperature

Amongst various gaseous pollutants, NO 2 is one of the major exhausts originating from fossil fuel and gas combustions in vehicle engines and power plants at high temperature. Under such a scenario, in situ and real-time gas detection and monitoring solutions are largely limited, which hinders the energy-efficient and resource-saving operations of these advanced energy systems. Herein, a new type of perovskite-sensitized β-Ga 2 O 3 nanorod-array has been successfully fabricated to detect NO x at high temperature selectively and sensitively. The demonstrated gas sensors are highly sensitive to NO 2 at 800 °C, with excellent reversible and reproducible response characteristics. Through the surface decoration of perovskite-type La 0.8 Sr 0.2 CoO 3 (LSCO) nanoparticles, the sensitivity of β-Ga 2 O 3 nanorod array gas sensors is enhanced by nearly an order of magnitude, along with much faster response dynamics. A remarkable selectivity toward oxidative gases was also demonstrated with the robust differentiation of NO 2 .

36 MATERIALS SCIENCE↗

Computational Aerodynamic Analysis of Three-Dimensional Ice Shapes on a NACA 23012 Airfoil

The present study identifies a process for performing computational fluid dynamic calculations of the flow over full three-dimensional (3D) representations of complex ice shapes deposited on aircraft surfaces. Rime and glaze icing geometries formed on a NACA23012 airfoil were obtained during testing in the NASA Glenn Research Center's Icing Research Tunnel (IRT). The ice shape geometries were scanned as a cloud of data points using a 3D laser scanner. The data point clouds were meshed using Geomagic software to create highly accurate models of the ice surface. The surface data was imported into Pointwise grid generation software to create the CFD surface and volume grids. It was determined that generating grids in Pointwise for complex 3D icing geometries was possible using various techniques that depended on the ice shape. Computations of the flow fields over these ice shapes were performed using the NASA National Combustion Code (NCC). Results for a rime ice shape for angle of attack conditions ranging from 0 to 10 degrees and for freestream Mach numbers of 0.10 and 0.18 are presented. For validation of the computational results, comparisons were made to test results from rapid-prototype models of the selected ice accretion shapes, obtained from a separate study in a subsonic wind tunnel at the University of Illinois at Urbana-Champaign. The computational and experimental results were compared for values of pressure coefficient and lift. Initial results show fairly good agreement for rime ice accretion simulations across the range of conditions examined. The glaze ice results are promising but require some further examination.

Aerodynamics↗

Impact of humidity on gas transport in polybenzimidazole membranes

Polybenzimidazoles (PBIs) are promising materials for high temperature H 2 /CO 2 separation in applications such as steam reforming and pre-combustion carbon capture where significant amounts of water are often present. However, PBIs are hydrophilic, and the impact of humidity on PBI gas separation properties is relatively unexplored. Furthermore, opportunity exists to elucidate the interplay between plasticization, free volume, and gas transport in glassy polymer membranes such as PBIs. Here, this study investigates the effect of humidity on H 2 , O 2 , and CO 2 permeabilities at 35 °C in a commercial PBI and two sulfone-containing PBIs. Water uptake significantly reduces PBI gas permeabilities at low humidities due to competitive sorption and antiplasticization. At high humidities, plasticization increases the permeabilities of larger gases in more hydrophilic PBIs. Effective fractional free volumes evaluated from gas permeation data and previously reported water sorption and dilation data suggest water plasticizes PBIs by increasing accessible free volume via enhanced molecular dynamics rather than by creating new free volume cavities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computationally efficient evaluation of optimum homogeneous charge compression ignition operating range with accelerated multizone engine cycle simulation

The very intensive calculations necessary to define a performance map requiring evaluation of over a hundred individual operating points can be efficiently conducted with accelerated multizone for engine cycle simulation, leading to a definition of regions of acceptable and optimum homogeneous charge compression ignition operation. Accelerated multizone for engine cycle simulation has the virtue of enabling accurate evaluation of many operating conditions based on thermal stratification data from a single fluid mechanics run at motored conditions. This is possible because thermal stratification is more sensitive to engine geometry than to operating conditions. In this article, accuracy of accelerated multizone for engine cycle simulation is demonstrated by comparison with experimental data for iso-octane homogeneous charge compression ignition operation over a broad range of lean equivalence ratios (0.14–0.28). The validated accelerated multizone for engine cycle simulation model is then applied to generating a performance map for an engine controlled by appropriately adjusting equivalence ratio and internal exhaust gas recirculation. Regions of acceptable and optimum combustion are identified. It is finally demonstrated that while indicated mean effective pressure remains low for optimum homogeneous charge compression ignition operation (1–4 bar), this is sufficient for a large fraction of typical driving in light-duty vehicles. Much driving including idle can therefore be done in homogeneous charge compression ignition mode at high efficiency and low (essentially zero) NOx and particulate matter emissions.

30 DIRECT ENERGY CONVERSION↗

ENGINE COMBUSTION SYSTEM OPTIMIZATION USING CFD AND MACHINE LEARNING: A METHODOLOGICAL APPROACH

Gasoline compression ignition (GCI) engines are considered an attractive alternative to traditional spark-ignition and diesel engines. In this work, a Machine Learning-Grid Gradient Algorithm (ML-GGA) approach was developed to optimize the performance of internal combustion engines. Machine learning (ML) offers a pathway to transform complex physical processes that occur in a combustion engine into compact informational processes. The developed ML-GGA model was compared with a recently developed Machine learning Genetic Algorithm (ML-GA). Detailed investigations of optimization solver parameters and variables limits extension were performed in the present ML-GGA model to improve the accuracy and robustness of the optimization process. Detailed descriptions of the different procedures, optimization tools and criteria that must be followed for a successful output are provided here. The developed ML-GGA approach was used to optimize the operating conditions (case 1) and the piston bowl design (case 2) of a heavy-duty diesel engine running on a gasoline fuel with a Research Octane Number (RON) of 80. The ML-GGA approach yielded > 2% improvements in the merit function, compared to the optimum obtained from a thorough computational fluid dynamics (CFD) guided system optimization. The predictions from the ML-GGA approach were validated with engine CFD simulations. This study demonstrates the potential of ML-GGA to significantly reduce the time needed for optimization problems, without loss in accuracy compared to traditional approaches.

engine optimization↗

Enhancement and Extension of Porosity Model in the FDNS-500 Code to Provide Enhanced Simulations of Rocket Engine Components

In the past, the design of rocket engines has primarily relied on the cold flow/hot fire test, and the empirical correlations developed based on the database from previous designs. However, it is very costly to fabricate and test various hardware designs during the design cycle, whereas the empirical model becomes unreliable in designing the advanced rocket engine where its operating conditions exceed the range of the database. The main goal of the 2nd Generation Reusable Launching Vehicle (GEN-II RLV) is to reduce the cost per payload and to extend the life of the hardware, which poses a great challenge to the rocket engine design. Hence, understanding the flow characteristics in each engine components is thus critical to the engine design. In the last few decades, the methodology of computational fluid dynamics (CFD) has been advanced to be a mature tool of analyzing various engine components. Therefore, it is important for the CFD design tool to be able to properly simulate the hot flow environment near the liquid injector, and thus to accurately predict the heat load to the injector faceplate. However, to date it is still not feasible to conduct CFD simulations of the detailed flowfield with very complicated geometries such as fluid flow and heat transfer in an injector assembly and through a porous plate, which requires gigantic computer memories and power to resolve the detailed geometry. The rigimesh (a sintered metal material), utilized to reduce the heat load to the faceplate, is one of the design concepts for the injector faceplate of the GEN-II RLV. In addition, the injector assembly is designed to distribute propellants into the combustion chamber of the liquid rocket engine. A porosity mode thus becomes a necessity for the CFD code in order to efficiently simulate the flow and heat transfer in these porous media, and maintain good accuracy in describing the flow fields. Currently, the FDNS (Finite Difference Navier-Stakes) code is one of the CFD codes which are most widely used by research engineers at NASA Marshall Space Flight Center (MSFC) to simulate various flow problems related to rocket engines. The objective of this research work during the 10-week summer faculty fellowship program was to 1) debug the framework of the porosity model in the current FDNS code, and 2) validate the porosity model by simulating flows through various porous media such as tube banks and porous plate.

Cheng, Gary↗

Thermochemistry of Rare Earth Silicates for Environmental Barrier Coatings

Rare earth silicates are promising candidates as environmental protective coatings (EBCs) for silica-forming ceramics and composites in combustion environments since they are predicted to have lower reactivity with the water vapor combustion products. The reactivity of rare earth silicates is assessed by the thermodynamic activity of the silica component which is best measured by Knudsen effusion mass spectrometry (KEMS). Here, we discuss a novel method based on a reducing agent to increase the partial pressure of SiO(g) which is then used to calculate thermodynamic activity of silica in Y2O3-SiO2 and Yb2O3-SiO2 systems. After the KEMS measurements, samples were probed by X-ray diffraction and their phase content was calculated from Rietveld refinement.

Rare Earth Silicates↗

Overview of the relevant CFD work at Thiokol Corporation

An in-house developed proprietary advanced computational fluid dynamics code called SHARP (Trademark) is a primary tool for many flow simulations and design analyses. The SHARP code is a time dependent, two dimensional (2-D) axisymmetric numerical solution technique for the compressible Navier-Stokes equations. The solution technique in SHARP uses a vectorizable implicit, second order accurate in time and space, finite volume scheme based on an upwind flux-difference splitting of a Roe-type approximated Riemann solver, Van Leer's flux vector splitting, and a fourth order artificial dissipation scheme with a preconditioning to accelerate the flow solution. Turbulence is simulated by an algebraic model, and ultimately the kappa-epsilon model. Some other capabilities of the code are 2-D two-phase Lagrangian particle tracking and cell blockages. Extensive development and testing has been conducted on the 3-D version of the code with flow, combustion, and turbulence interactions. The emphasis here is on the specific applications of SHARP in Solid Rocket Motor design. Information is given in viewgraph form.

Chwalowski, Pawel↗

NASA Next-Generation Sensing Technologies for Earth & Planetary Science

Dr. Ved Chirayath's seminar will highlight new sensing technologies and airborne platforms he is developing for Earth & Space Science as director of the NASA Silicon Valley Laboratory for Advanced Sensing. His talk will feature recent work on Fluid Lensing, the first remote sensing technology capable of imaging through ocean waves in 3D at sub-cm resolutions, MiDAR, a next-generation active hyperspectral remote sensing and optical communications instrument, airborne gas sensing of multipollutant combustion sources, and a plasma actuated unmanned aerial vehicle (UAV) that utilized high-voltage dielectric discharge devices to achieve the first plasma controlled flight in history.Fluid Lensing and the NASA FluidCam instrument have been used extensively to provide distortion-free 3D multispectral imagery from UAVs of shallow marine systems around the world. MiDAR is being deployed on aircraft and underwater remotely operated vehicles (ROVs) as a new method to remotely sense living and nonliving structures in extreme environments as an analog for future Ocean Worlds robotic exploration missions. Finally, Chirayath will present preliminary results from NeMO-Net, a supercomputer-based neural network that uses a citizen science video game for global multimodal coral reef benthic habitat mapping, fusing remote sensing data from Fluid Lensing, MiDAR, NASA's Earth Observing System, and commercial satellites, to better understand the present and past dynamics of shallow marine systems. Together, these maturing technologies present promising new ways in which to explore terrestrial, marine, and aerial systems on Earth, and, ultimately, aid in the search for extraterrestrial life within our solar system and beyond.

Chirayath, Ved↗

Application of Flux Conserved Modeling to an Unsteady Combustion Driven Pseudo-Shock

Quasi-steady correlation-based and flux conserved models of the pseudo-shock pressure profile are experimentally assessed in the Air Force Research Lab RC-18 Sub-Scale DirectConnect Isolator Combustion Facility. A bifurcated normal pseudo-shock is established in the 2.67 aspect ratio isolator test section by a downstream cavity-stabilized combustor. The Waltrup-Billig correlation, Smart flux conserved model, and Fiévet data driven flux conserved models are compared against measured pressure profiles. The literature models are found to perform poorly in a high-amplitude forced environment of RC-18, where shock speeds upwards of 20% the isolator Mach number occur. Two modifications to the quasi-steady Fiévet data driven flux conserved model are proposed including incorporating an estimate of pseudo-shock static pressure recovery and exercising the model in a shock stationary reference frame. It is shown that these modifications allow the quasi-steady flux conserved modeling approach to accurately predict pseudo-shock pressure profiles over the discrete phases of high-amplitude forced dynamics.

Shock Train↗

Effect of Fuel Injection and Mixing Characteristics on Pulse-Combustor Performance at High-Pressure

Recent calculations of pulse-combustors operating at high-pressure conditions produced pressure gains significantly lower than those observed experimentally and computationally at atmospheric conditions. The factors limiting the pressure-gain at high-pressure conditions are identified, and the effects of fuel injection and air mixing characteristics on performance are investigated. New pulse-combustor configurations were developed, and the results show that by suitable changes to the combustor geometry, fuel injection scheme and valve dynamics the performance of the pulse-combustor operating at high-pressure conditions can be increased to levels comparable to those observed at atmospheric conditions. In addition, the new configurations can significantly reduce the levels of NOx emissions. One particular configuration resulted in extremely low levels of NO, producing an emission index much less than one, although at a lower pressure-gain. Calculations at representative cruise conditions demonstrated that pulse-combustors can achieve a high level of performance at such conditions.

Propulsion↗

CFD flowfield simulation of Delta Launch Vehicles in a power-on configuration

This paper summarizes recent work at McDonnell Douglas Aerospace (MDA) to develop and validate computational fluid dynamic (CFD) simulations of under expanded rocket plume external flowfields for multibody expendable launch vehicles (ELVs). Multi engine reacting gas flowfield predictions of ELV base pressures are needed to define vehicle base drag and base heating rates for sizing external nozzle and base region insulation thicknesses. Previous ELV design programs used expensive multibody power-on wind tunnel tests that employed chamber/nozzle injected high pressure cold or hot-air. Base heating and pressure measurements were belatedly made during the first flights of past ELV's to correct estimates from semi-empirical engineering models or scale model tests. Presently, CFD methods for use in ELV design are being jointly developed at the Space Transportation Division (MDA-STD) and New Aircraft Missiles Division (MDA-NAMD). An explicit three dimensional, zonal, finite-volume, full Navier-Stokes (FNS) solver with finite rate hydrocarbon/air and aluminum combustion kinetics was developed to accurately compute ELV power-on flowfields. Mississippi State University's GENIE++ general purpose interactive grid generation code was chosen to create zonal, finite volume viscous grids. Axisymmetric, time dependent, turbulent CFD simulations of a Delta DSV-2A vehicle with a MB-3 liquid main engine burning RJ-1/LOX were first completed. Hydrocarbon chemical kinetics and a k-epsilon turbulence model were employed and predictions were validated with flight measurements of base pressure and temperature. Zonal internal/external grids were created for a Delta DSV-2C vehicle with a MB-3 and three Castor-1 solid motors burning and a Delta-2 with an RS-27 main engine (LOX/RP-1) and 9 GEM's attached/6 burning. Cold air, time dependent FNS calculations were performed for DSV-2C during 1992. Single phase simulations that employ finite rate hydrocarbon and aluminum (solid fuel) combustion chemistry are currently in progress. Reliable and efficient Eulerian algorithms are needed to model two phase (solid-gas) momentum and energy transfer mechanisms for solid motor fuel combustion products.

Pavish, D. L.↗

Computed Potential Energy Surfaces and Minimum Energy Pathways for Chemical Reactions

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. For some dynamics methods, global potential energy surfaces are required. In this case, it is necessary to obtain the energy at a complete sampling of all the possible arrangements of the nuclei, which are energetically accessible, and then a fitting function must be obtained to interpolate between the computed points. In other cases, characterization of the stationary points and the reaction pathway connecting them is sufficient. These properties may be readily obtained using analytical derivative methods. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives usefull results for a number of chemically important systems. The talk will focus on a number of applications including global potential energy surfaces, H + O2, H + N2, O(3p) + H2, and reaction pathways for complex reactions, including reactions leading to NO and soot formation in hydrocarbon combustion.

Walch, Stephen P.↗

Coherent Anti-Stokes Raman Spectroscopy (CARS) Measurements in Supersonic Combustors at NASA Langley Research Center

This paper describes the recent use of coherent anti-Stokes Raman spectroscopy (CARS) to study supersonic combustion at NASA Langley Research Center. CARS is a nonlinear optical measurement technique used to measure temperature and species mole fractions remotely in harsh environments. A CARS system has been applied to two different combustor geometries at NASA Langley. Both experiments used the same vitiated wind-tunnel facility to create an air flow that simulates flight at Mach numbers of 6 and 7 for the combustor inlet and both experiments used hydrogen fuel. In the first experiment, the hydrogen was injected supersonically at a 30-degree angle with respect to the incoming flow. In the second experiment, the hydrogen was injected sonically at normal incidence. While these injection schemes produced significantly different flow features, the CARS method provided mean temperature, N2, O2 and H2 maps at multiple downstream locations for both. The primary aim of these measurements was to provide detailed flowfield information for computational fluid dynamics (CFD) code validation.

Danehy, Paul M.↗

Computer Graphic Design Using Auto-CAD and Plug Nozzle Research

The purpose of creating computer generated images varies widely. They can be use for computational fluid dynamics (CFD), or as a blueprint for designing parts. The schematic that I will be working on the summer will be used to create nozzles that are a part of a larger system. At this phase in the project, the nozzles needed for the systems have been fabricated. One part of my mission is to create both three dimensional and two dimensional models on Auto-CAD 2002 of the nozzles. The research on plug nozzles will allow me to have a better understanding of how they assist in the thrust need for a missile to take off. NASA and the United States military are working together to develop a new design concept. On most missiles a convergent-divergent nozzle is used to create thrust. However, the two are looking into different concepts for the nozzle. The standard convergent-divergent nozzle forces a mixture of combustible fluids and air through a smaller area in comparison to where the combination was mixed. Once it passes through the smaller area known as A8 it comes out the end of the nozzle which is larger the first or area A9. This creates enough thrust for the mechanism whether it is an F-18 fighter jet or a missile. The A9 section of the convergent-divergent nozzle has a mechanism that controls how large A9 can be. This is needed because the pressure of the air coming out nozzle must be equal to that of the ambient pressure other wise there will be a loss of performance in the machine. The plug nozzle however does not need to have an A9 that can vary. When the air flow comes out it can automatically sense what the ambient pressure is and will adjust accordingly. The objective of this design is to create a plug nozzle that is not as complicated mechanically as it counterpart the convergent-divergent nozzle.

Rogers, Rayna C.↗

Combustion efficiency determined from wall pressure and temperature measurement in a Mach 2 combustor

A study of transverse hydrogen injection behind a rearward facing step in a Mach 2 airflow was conducted to determine the combustion efficiency and the combustor/inlet interactions at the low temperature lean-mixture operational end of a scramjet combustor model. The fuel was injected at sonic conditions into the electrically heated airstream, which was maintained at 850 K or below. The static pressure delivered at the entrance of the combustor ranged between 0.25 to 0.5 atm. Injector configurations included single and staged injectors placed at 3 or 3-and-7 step-heights downstream of the step, respectively, with injector diameters of 1, 1.5, and 2 mm. Ignition was achieved by initially unstarting the test section. The constant area combustor and the low initial temperatures caused thermal choking and upstream interaction to occur at very low equivalence ratios. Typically, most of the fuel was burned in the recirculation region behind the step and around the jets. The effects of initial conditions (temperature and pressure), fuel-to-air dynamic pressure ratio, and boundaries (thermal vs adiabatic) are presented.

Segal, Corin↗

Automated identification and calculation of prompt effects in kinetic mechanisms using statistical models

The kinetics of prompt dissociation involves rovibrationally excited species (generally formed by exothermic reactions) which may dissociate or isomerize prior to thermalization via collisions with the bath gas. Treating such rovibrationally excited species (so-called "hot" species) with standard kinetic phenomenology may result in incorrect macroscopic representation of their reactivity. Here this work presents the first fully automated methodology for the calculation of prompt effects of a chosen species in a kinetic mechanism, including (i) reaction selection; (ii) theoretical calculation of rate constants and prompt branching fractions; and (iii) final rate constant fitting. The energy partition between hot fragments is estimated using a variety of statistical models, including a new physically sound microcanonical statistical model based on the rovibrational density of states of the fragments. The methodology is validated against literature data for the prompt dissociations of HCO and C 3 H 7 radicals. The microcanonical statistical model is in better agreement with trajectory simulations for larger species and is thus applicable for practical systems that typically involve large molecules, for which direct dynamics calculations are impractical. The automated workflow is applied to the evaluation of the effects of prompt dissociation for two isomeric radicals C 4 H 7 1-3 (1-methylallyl) and C 4 H 7 1-4 (3-buten-1-yl). Twelve H-atom abstraction reactions are selected and the corresponding rate constants are computed with first principles theory. The microcanonical statistical model predicts that prompt dissociations of C 4 H 7 1-3 and C 4 H 7 1-4 are already significant at 1000K, resulting in differences of up to an order of magnitude at 2000K with respect to the phenomenological thermal rate constants. To illustrate the effects of prompt dissociation on simulations of experimental data, the calculated prompt rate constants are implemented in both CRECK and C3MechV3.3 kinetic mechanisms. Simulations of experimental flame data illustrate the noticeable impact of prompt dissociation kinetics on the high-temperature combustion reactivity of C 4 H 8 -1 and C 4 H 8 -2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gas-Phase Combustion Synthesis of Aluminum Nitride Powder

Due to its combined properties of high electrical resistivity and high thermal conductivity aluminum nitride (AlN) is a highly desirable material for electronics applications. Methods are being sought for synthesis of unagglomerated, nanometer-sized powders of this material, prepared in such a way that they can be consolidated into solid compacts having minimal oxygen content. A procedure for synthesizing these powders through gas-phase combustion is described. This novel approach involves reacting AlCl3, NH3, and Na vapors. Equilibrium thermodynamic calculations show that 100% yields can be obtained for these reactants with the products being AlN, NaCl, and H2. The NaCl by-product is used to coat the AlN particles in situ. The coating allows for control of AlN agglomeration and protects the powders from hydrolysis during post-flame handling. On the basis of thermodynamic and kinetic considerations, two different approaches were employed to produce the powder, in co-flow diffusion flame configurations. In the first approach, the three reactants were supplied in separate streams. In the second, the AlCl3 and NH3 were premixed with HCl and then reacted with Na vapor. X-ray diffraction (XRD) spectra of as-produced powders show only NaCl for the first case and NaCl and AlN for the second. After annealing at 775 C tinder dynamic vacuum, the salt was removed and XRD spectra of powders from both approaches show only AlN. Aluminum metal was also produced in the co-flow flame by reacting AlCl3 with Na. XRD spectra of as-produced powders show the products to be only NaCl and elemental aluminum.

Axelbaum, R. L.↗