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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Implementation of Manifold-Based Combustion Models in a Highly Scalable Low Mach Number Reacting Flow Solver: Preprint

Manifold-based representations of the thermochemistry are often employed in conjunction with large eddy eimulation (LES) to lower the cost of combustion simulations. This work describes steps taken to implement this modeling approach in PeleLM, a scalable and performance-portable low Mach number flow solver. Most significantly, this includes adapting the projection method used by PeleLM to satisfy the mass conservation constraint for use with manifold-based models. The implementation is designed to be general across manifold-based models, including both those that employ traditional tabulation and those that employ neural networks. An initial demonstration for simple test cases is presented and will be used for performance assessment.

high-performance computing↗
DOE OSTI2022

Mesoflow: An Open-Source Reacting Flow Solver for Catalysis at Mesoscale

We present the capabilities and software performance metrics of our open-source continuum solver for catalysis, Mesoflow, developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex catalyst surface morphologies directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous catalyst interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPUs) compared to a single processor for representative problem sizes (2 million cell mesh). We will also present a brief introduction on how to build and use this software for application problems pertaining to catalytic upgrading and gas transport within porous catalyst particles.

adaptive meshing↗
NASA NTRS1957

Nonmetallic Material Compatibility with Liquid Fluorine

Static tests were made on the compatibility of liquid fluorine with several nonmetallic materials at -3200 F and at pressures of 0 and 1500 pounds per square inch gage. The results are compared with those from previous work with gaseous fluorine at the same pressures, but at atmospheric temperature. In general, although environmental effects were not always consistent, reactivity was least with the low-temperature, low-pressure liquid fluorine. Reactivity was greatest with the warm, high-pressure gaseous fluorine. None of the liquids and greases tested was found to be entirely suitable for use in fluorine systems. Polytrifluorochloroethylene and N-43, the formula for which is (C4F9)3N, did not react with liquid fluorine at atmospheric pressure or 1500 pounds per square inch gage under static conditions, but they did react when injected into liquid fluorine at 1500 pounds per square inch gage; they also reacted with gaseous fluorine at 1500 pounds per square inch gage. While water did not react with liquid fluorine at 1500 pounds per square inch gage, it is known to react violently with fluorine under other conditions. The pipe-thread lubricant Q-Seal did not react with liquid fluorine, but did react with gaseous fluorine at 1500 pounds per square inch gage. Of the solids, ruby (Al2O3) and Teflon did not react under the test conditions. The results show that the compatibility of fluorine with nonmetals depends on the state of the fluorine and the system design.

Price, Harold G , Jr↗
NASA NTRS2006

Tool for Two Types of Friction Stir Welding

A tool that would be useable in both conventional and self-reacting friction stir welding (FSW) has been proposed. The tool would embody both a prior tooling concept for self-reacting FSW and an auto-adjustable pin-tool (APT) capability developed previously as an augmentation for conventional FSW. Some definitions of terms are prerequisite to a meaningful description of the proposed tool. In conventional FSW, depicted in Figure 1, one uses a tool that includes (1) a rotating shoulder on top (or front) of the workpiece and (2) a rotating pin that protrudes from the shoulder into the depth of the workpiece. The main axial force exerted by the tool on the workpiece is reacted through a ridged backing anvil under (behind) the workpiece. When conventional FSW is augmented with an APT capability, the depth of penetration of the pin into the workpiece is varied in real time by a position- or force-control system that extends or retracts the pin as needed to obtain the desired effect. In self-reacting (also known as self-reacted) friction stir welding (SR-FSW), there are two rotating shoulders: one on top (or front) and one on the bottom (or back) of the workpiece. In this case, a threaded shaft protrudes from the tip of the pin to beyond the back surface of the workpiece. The back shoulder is held axially in place against tension by a nut on the threaded shaft. The main axial force exerted on the workpiece by the tool and front shoulder is reacted through the back shoulder and the threaded shaft, back into the FSW machine head, so that a backing anvil is no longer needed. A key transmits torque between the bottom shoulder and the threaded shaft, so that the bottom shoulder rotates with the shaft. A tool for SRFSW embodying this concept was reported in "Mechanism for Self-Reacted Friction Stir Welding" (MFS-31914), NASA Tech Briefs, Vol. 28, No. 10 (October 2004), page 53. In its outward appearance, the proposed tool (see Figure 2) would fit the above description of an SR-FSW tool. In this case, the FSW machine would have an APT capability and the pin would be modified to accept a bottom shoulder. The APT capability could be used to vary the distance between the front and back shoulders in real time to accommodate process and workpiece-thickness variations. The tool could readily be converted to a conventional FSW tool, with or without APT capability, by simply replacing the modified pin with a conventional FSW pin.

Carter, Robert↗
NASA NTRS2007

Counterrotating-Shoulder Mechanism for Friction Stir Welding

A counterrotating-shoulder mechanism has been proposed as an alternative to the mechanism and fixtures used in conventional friction stir welding. The mechanism would internally react most or all of the forces and torques exerted on the workpiece, making it unnecessary to react the forces and torques through massive external fixtures. In conventional friction stir welding, a rotating pin tool is inserted into, and moved along, a weld seam. As the pin tool moves, it stirs together material from the opposite sides of the seam to form the weld. A large axial plunge force must be exerted upon the workpiece through and by the pin tool and a shoulder attached above the pin tool in order to maintain the pressure necessary for the process. The workpiece is secured on top of an anvil, which supports the workpiece against the axial plunge force and against the torque exerted by the pin tool and shoulder. The anvil and associated fixtures must be made heavy (and, therefore, are expensive) to keep the workpiece stationary. In addition, workpiece geometries must be limited to those that can be accommodated by the fixtures. The predecessor of the proposed counterrotating-shoulder mechanism is a second-generation, self-reacting tool, resembling a bobbin, that makes it possible to dispense with the heavy anvil. This tool consists essentially of a rotating pin tool with opposing shoulders. Although the opposing shoulders maintain the necessary pressure without need to externally apply or react a large plunge force, the torque exerted on the workpiece remains unreacted in the absence of a substantial external fixture. Depending on the RPM and the thickness of the workpiece, the torque can be large. The proposed mechanism (see figure) would include a spindle attached to a pin tool with a lower shoulder. The spindle would be coupled via splines to the upper one of three bevel gears in a differential drive. The middle bevel gear would be the power-input gear and would be coupled to the upper and lower bevel gears. The lower bevel gear would be attached to the upper shoulder and would slide and rotate freely over the spindle. The spindle would be fastened by its threaded upper end to an external submechanism that would exert axial tension on the spindle to load the workpiece in compression between the shoulders. By reducing or eliminating (relative to the use of a self reacting tool) the torque that must be reacted externally, the use of the proposed tool would reduce the tendency toward distortion or slippage of the workpiece. To begin a weld, the spindle would be inserted through a hole in the workpiece or run-on tab at the beginning of the seam and fastened to the loading submechanism. Rotation and axial loading would be increased gradually from zero and, after a time to be determined by trial and error, translation along the weld seam would be increased gradually from zero to a steady weld speed. The weld would be ended by running the mechanism off the workpiece or, if the lower shoulder were detachable, by detaching the lower shoulder from the spindle and pulling the pin tool out.

Nunes, Arthur C., Jr.↗
DOE OSTI2022

Tale of Three Molecular Nitrides: Mononuclear Vanadium (V) and (IV) Nitrides As Well As a Mixed-Valence Trivanadium Nitride Having a V 3 N 4 Double-Diamond Core

Here, transmetallation of [VCl 3 (THF) 3 ] and [TlTp tBu,Me ] afforded [(Tp tBu,Me )VCl 2 ] (1, Tp tBu,Me = hydro-tris(3-tert-butyl-5-methylpyrazol-1-yl)borate), which was reduced with KC 8 to form a $C_{3v}$ symmetric V II complex, [(Tp tBu,Me )VCl] (2). Complex 1 has a high-spin ($\textit{S}$ = 1) ground state and displays rhombic high-frequency and -field electron paramagnetic resonance (HFEPR) spectra, while complex 2 has an $\textit{S}$ = 3/2 4 A 2 ground state observable by conventional EPR spectroscopy. Complex 1 reacts with NaN 3 to form the V V nitride-azide complex [(Tp tBu,Me )V≡N(N 3 )] (3). A likely V III azide intermediate en route to 3, [(Tp tBu,Me )VCl(N 3 )] (4), was isolated by reacting 1 with N 3 SiMe 3 . Complex 4 is thermally stable but reacts with NaN3 to form 3, implying a bis-azide intermediate, [(Tp tBu,Me )V(N 3 ) 2 ] (A), leading to 3. Reduction of 3 with KC 8 furnishes a trinuclear and mixed-valent nitride, [{(Tp tBu,Me )V} 2 ($μ_{4-}$VN 4 )] (5), conforming to a Robin–Day class I description. Complex 5 features a central vanadium ion supported only by bridging nitride ligands. Contrary to 1, complex 2 reacts with NaN 3 to produce an azide-bridged dimer, [{(Tp tBu,Me )V} 2 (1,3-$μ_2$-N 3 ) 2 ] (6), with two antiferromagnetically coupled high-spin V II ions. Complex 5 could be independently produced along with [($κ_2$-Tp tBu,Me ) 2 V] upon photolysis of 6 in arene solvents. The putative {V IV ≡N} intermediate, [(Tp tBu,Me )V≡N] (B), was intercepted by photolyzing 6 in a coordinating solvent, such as tetrahydrofuran (THF), yielding [(Tp tBu,Me )V≡N(THF)] (B-THF). In arene solvents, B-THF expels THF to afford 5 and [($κ_2$-Tp tBu,Me ) 2 V]. A more stable adduct (B-OPPh 3 ) was prepared by reacting B-THF with OPPh 3 . These adducts of B are the first neutral and mononuclear V IV nitride complexes to be isolated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Experimental study of combustion in a turbulent free shear layer formed at a rearward facing step

A premixed propane-air flame is stabilized in a turbulent free shear layer formed at a rearward facing step. The mean and rms averages of the turbulent velocity flow field are determined by LDV for both reacting (equivalence ratio 0.57) and nonreacting flows (Reynolds number 15,000-37,000 based on step height). The effect of combustion is to shift the layer toward the recirculation zone and reduce the flame spread. For reacting flow, the growth rate is unchanged except very near the step. The probability density function of the velocity is bimodial near the origin of the reacting layer and single-peaked but often skewed elsewhere. Large-scale structures dominate the reacting shear layer. Measurements of their passing frequency from LDV are consistent with high-speed Schlieren movies of the reacting layer and indicate that the coalescence rate of the eddies in the shear layer is reduced by combustion.

Pitz, R. W.↗
NASA NTRS1983

Combustion in a turbulent mixing layer formed at a rearward-facing step

A premixed propane/air flame was stabilized in a turbulent mixing layer formed at a rearward-facing step. The mean and rms averages of the turbulent velocity flowfield were determined by laser velocimetry for both reacting (phi = 0.57) and nonreacting flows (Re = 15,000-37,000 based on step height). The reacting-flow was visualized by high-speed schlieren photography. Large-scale structures dominate the reacting mixing layer. The growth of the large-scale structures was tied to the propagation of the flame. The linear growth rate of the reacting mixing layer defined by the mean velocity profiles was unchanged by combustion but the virtual origin moves downstream. The reacting mixing layer boundaries based on the mean velocity profiles were shifted toward the recirculation zone and reattachment lengths were shortened by 30 percent. The edge of the flame controlled by the large-scale structure development propagated faster into the incoming reactants than the boundary of the mixing layer given by the mean velocity flowfield. Thus, the region of high velocity gradient did not coincide with the region of high reaction and heat transfer.

Pitz, R. W.↗
NASA NTRS1984

Amorphous metallic films in silicon metallization systems

The general objective was to determine the potential of amorphous metallic thin films as a means of improving the stability of metallic contacts to a silicon substrate. The specific objective pursued was to determine the role of nitrogen in the formation and the resulting properties of amorphous thin-film diffusion barriers. Amorphous metallic films are attractive as diffusion barriers because of the low atomic diffusivity in these materials. Previous investigations revealed that in meeting this condition alone, good diffusion barriers are not necessarily obtained, because amorphous films can react with an adjacent medium (e.g., Si, Al) before they recrystallize. In the case of a silicon single-crystalline substrate, correlation exists between the temperature at which an amorphous metallic binary thin film reacts and the temperatures at which the films made of the same two metallic elements react individually. Amorphous binary films made of Zr and W were investigated. Both react with Si individually only at elevated temperatures. It was confirmed that such films react with Si only above 700 C when annealed in vacuum for 30 min. Amorphous W-N films were also investigated. They are more stable as barriers between Al and Si than polycrystalline W. Nitrogen effectively prevents the W-Al reaction that sets in at 500 C with polycrystalline W.

Nicolet, M. A.↗
NASA NTRS1993

The combustion program at CTR

Understanding and modeling of turbulent combustion are key problems in the computation of numerous practical systems. Because of the lack of analytical theories in this field and of the difficulty of performing precise experiments, direct numerical simulation (DNS) appears to be one of the most attractive tools to use in addressing this problem. The general objective of DNS of reacting flows is to improve our knowledge of turbulent combustion but also to use this information for turbulent combustion models. For the foreseeable future, numerical simulation of the full three-dimensional governing partial differential equations with variable density and transport properties as well as complex chemistry will remain intractable; thus, various levels of simplification will remain necessary. On one hand, the requirement to simplify is not necessarily a handicap: numerical simulations allow the researcher a degree of control in isolating specific physical phenomena that is inaccessible in experiments. CTR has pursued an intensive research program in the field of DNS for turbulent reacting flows since 1987. DNS of reacting flows is quite different from DNS of non-reacting flows: without reaction, the equations to solve are clearly the five conservation equations of the Navier Stokes system for compressible situations (four for incompressible cases), and the limitation of the approach is the Reynolds number (or in other words the number of points in the computation). For reacting flows, the choice of the equations, the species (each species will require one additional conservation equation), the chemical scheme, and the configuration itself is more complex.

Poinsot, Thierry J.↗
NASA NTRS1995

Influence of Geometry and Flow Variations on NO Formation in the Quick Mixer of a Staged Combustor

Staged combustion, such as Rich-Burn/Quick-Mix/Lean-Burn (RQL), is a viable strategy to meet nitric oxide (NO) emission goals for both stationary and propulsion gas turbine engines. A critical element of the design is the quick mixer section where the potential for NO production is high. While numerical calculations of the quick mixer under reacting conditions have been conducted, the hostile environment and lack of appropriate diagnostics have, to date, precluded experimental probing of the reacting case. As an alternative to understanding the effect of geometry and flow variations on the production of NO in the quick mixer, the present paper presents (1) a series of non-reacting parametric studies, and (2) a computational method to extrapolate the results of the non-reacting experiments to reacting conditions. The results show that the rate of NO production is highest in the immediate vicinity of the injection plane. For a given momentum flux ratio between the jets and mainstream, the most effective mixing geometry is that which mixes effectively in both (1) the plane of injection, and (2) the wall regions downstream of the plan of injection. The tailoring of the mixing is key to minimize the NO formed. As a result, the best overall mixer with respect to the minimization of NO production may depend on the system specific characteristics of the particular application.

Hatch, M. S.↗
NASA NTRS1995

Association reactions at low pressure. 5: The CH3(+)/HCN system. A final word?

The reaction of the methyl cation with hydrogen cyanide is revisited. We have confidence that we have resolved a long standing apparent contradiction of experimental results. A literature history is presented along with one new experiment and a re-examination of an old experiment. In this present work it is shown that all of the previous studies had made consistent observations. Yet, each of the previous studies failed to observe all of the information present. The methyl cation does react with HCN by radiative association, a fact which had been in doubt. The product ions formed in the two-body and three-body processes react differently with HCN. The collisionally stabilized association product formed by a three-body mechanism, does not react with HCN and is readily detected in the experiments. The radiatively stabilized association product, formed by a slow two-body reaction, is not detected because it reacts with HCN by a fast proton transfer reaction forming the protonated HCN ion. Previous studies either 'lost' this product in the extremely large protonated HCN signal that is always present when HCN is used, or discounted it for various reasons. We have been able to show by ion cyclotron resonance (ICR) techniques (both FT-ICR and tandem ICR-dempster-ICR) that the radiative association product does react with the HCN to form the protonated HCN ion.

Anicich, Vincent G.↗
NASA NTRS2001

Minimizing Load Effects on NA4 Gear Vibration Diagnostic Parameter

NA4 is a vibration diagnostic parameter, developed by researchers at NASA Glenn Research Center, for health monitoring of gears in helicopter transmissions. The NA4 reacts to the onset of gear pitting damage and continues to react to the damage as it spreads. This research also indicates NA4 reacts similarly to load variations. The sensitivity of NA4 to load changes will substantially affect its performance on a helicopter gearbox that experiences continuously changing load throughout its flight regimes. The parameter NA4 has been used to monitor gear fatigue tests at constant load. At constant load, NA4 effectively detects the onset of pitting damage and tracks damage severity. Previous research also shows that NA4 reacts to changes in load applied to the gears in the same way it reacts to the onset of pitting damage. The method used to calculate NA4 was modified to minimize these load effects. The modified NA4 parameter was applied to four sets of experimental data. Results indicate the modified NA4 is no longer sensitive to load changes, but remains sensitive to pitting damage.

Dempsey, Paula J.↗