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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Computational fluid dynamics study of the variable-pitch split-blade fan concept

A computational fluid dynamics study was conducted to evaluate the feasibility of the variable-pitch split-blade supersonic fan concept. This fan configuration was conceived as a means to enable a supersonic fan to switch from the supersonic through-flow type of operation at high speeds to a conventional fan with subsonic inflow and outflow at low speeds. During this off-design, low-speed mode of operation, the fan would operate with a substantial static pressure rise across the blade row like a conventional transonic fan; the front (variable-pitch) blade would be aligned with the incoming flow, and the aft blade would remain fixed in the position set by the supersonic design conditions. Because of these geometrical features, this low speed configuration would inherently have a large amount of turning and, thereby, would have the potential for a large total pressure increase in a single stage. Such a high-turning blade configuration is prone to flow separation; it was hoped that the channeling of the flow between the blades would act like a slotted wing and help alleviate this problem. A total of 20 blade configurations representing various supersonic and transonic configurations were evaluated using a Navier Stokes CFD program called ADAPTNS because of its adaptive grid features. The flow fields generated by this computational procedure were processed by another data reduction program which calculated average flow properties and simulated fan performance. These results were employed to make quantitative comparisons and evaluations of blade performance. The supersonic split-blade configurations generated performance comparable to a single-blade supersonic, through-flow fan configuration. Simulated rotor total pressure ratios of the order of 2.5 or better were achieved for Mach 2.0 inflow conditions. The corresponding fan efficiencies were approximately 75 percent or better. The transonic split-blade configurations having large amounts of turning were able to generate large amounts of total turning and achieve simulated total pressure ratios of 3.0 or better with subsonic inflow conditions. These configurations had large losses and low fan efficiencies in the 70's percent. They had large separated regions and low velocity wakes. Additional turning and diffusion of this flow in a subsequent stator row would probably be very inefficient. The high total pressure ratios indicated by the rotor performance would be substantially reduced by the stators, and the stage efficiency would be substantially lower. Such performance leaves this dual-mode fan concept less attractive than originally postulated.

Kepler, C. E.↗
DOE OSTI2024

Aqueous Titania Interfaces

Water–metal oxide interfaces are central to many phenomena and applications, ranging from material corrosion and dissolution to photoelectrochemistry and bioengineering. In particular, the discovery of photocatalytic water splitting on TiO 2 has motivated intensive studies of water-TiO 2 interfaces for decades. So far, a broad understanding of the interaction of water vapor with several TiO 2 surfaces has been obtained. However, much less is known about liquid water–TiO 2 interfaces, which are more relevant to many practical applications. Probing these complex systems at the molecular level is experimentally challenging and is sometimes possible only through computational studies. This review summarizes recent advances in the atomistic understanding, mostly through computational simulations, of the structure and dynamics of interfacial water on TiO 2 surfaces. The main focus is on the nature, molecular or dissociated, of water in direct contact with low-index defect-free crystalline surfaces. The hydroxyls resulting from water dissociation are essential in the photooxidation of water and critically affect the surface chemistry of TiO 2.

density functional theory↗
NASA NTRS2001

Computational Analysis of a Pylon-Chevron Core Nozzle Interaction

In typical engine installations, the pylon of an engine creates a flow disturbance that interacts with the engine exhaust flow. This interaction of the pylon with the exhaust flow from a dual stream nozzle was studied computationally. The dual stream nozzle simulates an engine with a bypass ratio of five. A total of five configurations were simulated all at the take-off operating point. All computations were performed using the structured PAB3D code which solves the steady, compressible, Reynolds-averaged Navier-Stokes equations. These configurations included a core nozzle with eight chevron noise reduction devices built into the nozzle trailing edge. Baseline cases had no chevron devices and were run with a pylon and without a pylon. Cases with the chevron were also studied with and without the pylon. Another case was run with the chevron rotated relative to the pylon. The fan nozzle did not have chevron devices attached. Solutions showed that the effect of the pylon is to distort the round Jet plume and to destroy the symmetrical lobed pattern created by the core chevrons. Several overall flow field quantities were calculated that might be used in extensions of this work to find flow field parameters that correlate with changes in noise.

Thomas, Russell H.↗
NASA NTRS1993

Computation of hypersonic flows with finite rate condensation and evaporation of water

A computer program for modelling 2D hypersonic flows of gases containing water vapor and liquid water droplets is presented. The effects of interphase mass, momentum and energy transfer are studied. Computations are compared with existing quasi-1D calculations on the nozzle of the NASA Langley Eight Foot High Temperature Tunnel, a hypersonic wind tunnel driven by combustion of natural gas in oxygen enriched air.

Perrell, Eric R.↗
NASA NTRS2017

Computational Analysis of a Wing Designed for the X-57 Distributed Electric Propulsion Aircraft

A computational study of the wing for the distributed electric propulsion X-57 Maxwell airplane configuration at cruise and takeoff/landing conditions was completed. Two unstructured-mesh, Navier-Stokes computational fluid dynamics methods, FUN3D and USM3D, were used to predict the wing performance. The goal of the X-57 wing and distributed electric propulsion system design was to meet or exceed the required lift coefficient 3.95 for a stall speed of 58 knots, with a cruise speed of 150 knots at an altitude of 8,000 ft. The X-57 Maxwell airplane was designed with a small, high aspect ratio cruise wing that was designed for a high cruise lift coefficient (0.75) at angle of attack of 0deg. The cruise propulsors at the wingtip rotate counter to the wingtip vortex and reduce induced drag by 7.5 percent at an angle of attack of 0.6deg. The unblown maximum lift coefficient of the high-lift wing (with the 30deg flap setting) is 2.439. The stall speed goal performance metric was confirmed with a blown wing computed effective lift coefficient of 4.202. The lift augmentation from the high-lift, distributed electric propulsion system is 1.7. The predicted cruise wing drag coefficient of 0.02191 is 0.00076 above the drag allotted for the wing in the original estimate. However, the predicted drag overage for the wing would only use 10.1 percent of the original estimated drag margin, which is 0.00749.

Deere, Karen A.↗
NASA NTRS2018

Computational Component Build-Up for the X-57 Distributed Electric Propulsion Aircraft

A computational study of the wing for the distributed electric propulsion X-57 Maxwell airplane configuration at cruise and takeoff/landing conditions was completed. Three unstructured-mesh, Navier-Stokes computational fluid dynamics methods, FUN3D, USM3D and Kestrel, were used to predict the performance buildup of components to the full X-57 configuration. The goal of the X-57 wing and distributed electric propulsion system design was to meet or exceed the required lift coefficient of 3.95 for a stall speed of 58 knots. The X-57 Maxwell airplane was designed with a small, high aspect ratio cruise wing that was designed for a high cruise lift coefficient of 0.75 at a cruise speed of 150 knots and altitude of 8,000 ft, with an angle of attack of approximately 0deg. The computational data indicates that the X-57 full aircraft drag would meet the cruise drag goal with a 25 count drag margin. The cruise configuration maximum lift coefficient is 2.07 and without including the stabilator is 1.86 at an angle of attack of 14 deg, predicted with the USM3D flow solver using the Spalart-Allmaras turbulence model. The maximum lift coefficient for the high-lift wing (with the 30deg flap deflection) without the stabilator contribution is 2.60 at an angle of attack of 13 deg. For high-lift blowing conditions with 13.7 hp/prop, the maximum lift coefficient excluding the stabilator is 4.426 at (alpha) = 13 deg. Therefore, the lift augmentation from the high-lift propellers is 1.7 and the total lift augmentation from the high-lift system (30 deg flap deflection and the high-lift blowing) is 2.38. The drag for the high-lift wing with 30 deg flap deflection is much higher than the cruise wing configuration, but the high-lift system is used only during a small portion of the flight envelope. The pitching moment is relatively constant for both blown and unblown conditions when the stabilator is excluded. Modeling the full geometry has indicated some adverse effects from the fuselage on the wing and stabilator. At high angles of attack, the solutions with the USM3D flow solver using the Spalart-Allmaras turbulence model indicates large flow separation on the wing upper surface between the two high-lift nacelles near the fuselage, and also a reduction in sectional lift on the stabilator in the first 50 percent of the stabilator semispan. However, the large flow separation near the fuselage is mostly eliminated in the solutions predicted with two codes, USM3D and Kestrel, using Hybrid Reynolds-averaged Navier Stokes/Large Eddy Simulation turbulence models.

Deere, Karen A.↗
NASA NTRS2013

Long Penetration Mode Counterflowing Jets for Supersonic Slender Configurations - A Numerical Study

A novel approach of using counterflowing jets positioned strategically on the aircraft and exploiting its long penetration mode (LPM) of interaction towards sonic-boom mitigation forms the motivation for this study. Given that most previous studies on the counterflowing LPM jet have all been on blunt bodies and at high supersonic or hypersonic flow conditions, exploring the feasibility to obtain a LPM jet issuing from a slender body against low supersonic freestream conditions is the main focus of this study. Computational fluid dynamics computations of axisymmetric models (cone-cylinder and quartic geometry), of relevance to NASA's High Speed project, are carried out using the space-time conservation element solution element viscous flow solver with unstructured meshes. A systematic parametric study is conducted to determine the optimum combination of counterflowing jet size, mass flow rate, and nozzle geometry for obtaining LPM jets. Details from these computations will be used to assess the potential of the LPM counterflowing supersonic jet as a means of active flow control for enabling supersonic flight over land and to establish the knowledge base for possible future implementation of such technologies.

Venkatachari, Balaji Shankar↗
NASA NTRS1980

Analysis of mode-locked and intracavity frequency-doubled Nd:YAG laser

The paper presents analytical and computer studies of the CW mode-locked and intracavity frequency-doubled Nd:YAG laser which provide new insight into the operation, including the detuning behavior, of this type of laser. Computer solutions show that the steady-state pulse shape for this laser is much closer to a truncated cosine than to a Gaussian; there is little spectral broadening for on-resonance operation; and the chirp is negligible. This leads to a simplified analytical model carried out entirely in the time domain, with atomic linewidth effects ignored. Simple analytical results for on-resonance pulse shape, pulse width, signal intensity, and harmonic conversion efficiency in terms of basic laser parameters are derived from this model. A simplified physical description of the detuning behavior is also developed. Agreement is found with experimental studies showing that the pulsewidth decreases as the modulation frequency is detuned off resonance; the harmonic power output initially increases and then decreases; and the pulse shape develops a sharp-edged asymmetry of opposite sense for opposite signs of detuning.

Siegman, A. E.↗
NASA NTRS2004

Experimental, Theoretical, and Computational Investigation of Separated Nozzle Flows

A detailed experimental, theoretical, and computational study of separated nozzle flows has been conducted. Experimental testing was performed at the NASA Langley 16-Foot Transonic Tunnel Complex. As part of a comprehensive static performance investigation, force, moment, and pressure measurements were made and schlieren flow visualization was obtained for a sub-scale, non-axisymmetric, two-dimensional, convergent- divergent nozzle. In addition, two-dimensional numerical simulations were run using the computational fluid dynamics code PAB3D with two-equation turbulence closure and algebraic Reynolds stress modeling. For reference, experimental and computational results were compared with theoretical predictions based on one-dimensional gas dynamics and an approximate integral momentum boundary layer method. Experimental results from this study indicate that off-design overexpanded nozzle flow was dominated by shock induced boundary layer separation, which was divided into two distinct flow regimes; three- dimensional separation with partial reattachment, and fully detached two-dimensional separation. The test nozzle was observed to go through a marked transition in passing from one regime to the other. In all cases, separation provided a significant increase in static thrust efficiency compared to the ideal prediction. Results indicate that with controlled separation, the entire overexpanded range of nozzle performance would be within 10% of the peak thrust efficiency. By offering savings in weight and complexity over a conventional mechanical exhaust system, this may allow a fixed geometry nozzle to cover an entire flight envelope. The computational simulation was in excellent agreement with experimental data over most of the test range, and did a good job of modeling internal flow and thrust performance. An exception occurred at low nozzle pressure ratios, where the two-dimensional computational model was inconsistent with the three-dimensional separation observed in the experiment. In general, the computation captured the physics of the shock boundary layer interaction and shock induced boundary layer separation in the nozzle, though there were some differences in shock structure compared to experiment. Though minor, these differences could be important for studies involving flow control or thrust vectoring of separated nozzles. Combined with other observations, this indicates that more detailed, three-dimensional computational modeling needs to be conducted to more realistically simulate shock-separated nozzle flows.

Hunter, Craig A.↗
NASA NTRS2000

Computer Simulations to Study Diffraction Effects of Stacking Faults in Beta-SiC: II. Experimental Verification: Experimental Verification - 2

Earlier results from computer simulation studies suggest a correlation between the spatial distribution of stacking errors in the Beta-SiC structure and features observed in X-ray diffraction patterns of the material. Reported here are experimental results obtained from two types of nominally Beta-SiC specimens, which yield distinct XRD data. These samples were analyzed using high resolution transmission electron microscopy (HRTEM) and the stacking error distribution was directly determined. The HRTEM results compare well to those deduced by matching the XRD data with simulated spectra, confirming the hypothesis that the XRD data is indicative not only of the presence and density of stacking errors, but also that it can yield information regarding their distribution. In addition, the stacking error population in both specimens is related to their synthesis conditions and it appears that it is similar to the relation developed by others to explain the formation of the corresponding polytypes.

Pujar, Vijay V.↗
DOE OSTI2020

Structure and dynamics of hydrodynamically interacting finite-size Brownian particles in a spherical cavity: Spheres and cylinders

The structure and dynamics of confined suspensions of particles of arbitrary shape are of interest in multiple disciplines from biology to engineering. Theoretical studies are often limited by the complexity of long-range particle-particle and particle-wall forces, including many-body fluctuating hydrodynamic interactions. Here, we report a computational study on the diffusion of spherical and cylindrical particles confined in a spherical cavity. We rely on an immersed-boundary general geometry Ewald-like method to capture lubrication and long-range hydrodynamics and include appropriate non-slip conditions at the confining walls. A Chebyshev polynomial approximation is used to satisfy the fluctuation-dissipation theorem for the Brownian suspension. We explore how lubrication, long-range hydrodynamics, particle volume fraction, and shape affect the equilibrium structure and the diffusion of the particles. It is found that once the particle volume fraction is greater than 10%, the particles start to form layered aggregates that greatly influence particle dynamics. Hydrodynamic interactions strongly influence the particle diffusion by inducing spatially dependent short-time diffusion coefficients, stronger wall effects on the particle diffusion toward the walls, and a sub-diffusive regime-caused by crowding-in the long-time particle mobility. The level of asymmetry of the cylindrical particles considered here is enough to induce an orientational order in the layered structure, decreasing the diffusion rate and facilitating a transition to the crowded mobility regime at low particle concentrations. Our results offer fundamental insights into the diffusion and distribution of globular and fibrillar proteins inside cells.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Low-Pressure Turbine Separation Control: Comparison With Experimental Data

The present work details a computational study, using the Glenn HT code, that analyzes the use of vortex generator jets (VGJs) to control separation on a low-pressure turbine (LPT) blade at low Reynolds numbers. The computational results are also compared with the experimental data for steady VGJs. It is found that the code determines the proper location of the separation point on the suction surface of the baseline blade (without any VGJ) for Reynolds numbers of 50,000 or less. Also, the code finds that the separated region on the suction surface of the blade vanishes with the use of VGJs. However, the separated region and the wake characteristics are not well predicted. The wake width is generally over-predicted while the wake depth is under-predicted.

Garg, Vijay K.↗
DOE OSTI2022

Radicals as Exceptional Electron-Withdrawing Groups: Nucleophilic Aromatic Substitution of Halophenols Via Homolysis-Enabled Electronic Activation

While heteroatom-centered radicals are understood to be highly electrophilic, their ability to serve as transient electron-withdrawing groups and facilitate polar reactions at distal sites has not been extensively developed. Here, we report a new strategy for the electronic activation of halophenols, wherein generation of a phenoxyl radical via formal homolysis of the aryl O-H bond enables direct nucleophilic aromatic substitution of the halide with carboxylate nucleophiles under mild conditions. Pulse radiolysis and transient absorption studies reveal that the neutral oxygen radical (O • ) is indeed an extraor-dinarily strong electron-withdrawing group [σ p - (O • ) = 2.79 vs. σ p - (NO 2 ) = 1.27]. Additional mechanistic and computational studies indicate that the key phenoxyl intermediate serves as an open-shell electron-withdrawing group in these reactions, lowering the barrier for nucleophilic substitution by more than 20 kcal/mol relative to the closed-shell phenol form of the substrate. Finally, by using radicals as transient activating groups, this homolysis-enabled electronic activation strategy provides a powerful platform to expand the scope of nucleophile-electrophile couplings and enable previously challenging transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

How much is surface dopant enough to maximize CO2-to-liquid chemicals conversion at industrially relevant current density?

This invited talk will be presented at the symposium "Waste Feedstock to Fuels and Petrochemicals”, Fuels and Petrochemical Division at the 2024 AIChE Annual Meeting. In this study, we will discuss how minute amount of surface heteroatoms would maximize CO2 reduction to formate/formic acid at industrially relevant current densities and high selectivity which was validated by both experimental and computational studies. The outstanding performance of the best-in-class catalysts in both H-cell and full-cell electrolyzer cell is also demonstrated. Our findings would provide additional design concepts of high performance CO2R electrocatalysts.

Nguyen Phan, Thuy Duong↗
DOE OSTI2022

Intracardiac Electrical Imaging using the 12-lead ECG: A Machine Learning Approach using Synthetic Data

Current state-of-the-art techniques for non-invasive imaging of cardiac electrical phenomena require voltage recordings from dozens of different torso locations and anatomical models built from expensive medical diagnostic imaging procedures. Here this study aimed to assess if recent machine learning advances could alternatively reconstruct electroanatomical maps at clinically relevant resolutions using only the standard 12-lead electrocardiogram (ECG) as input. To that end, a computational study was conducted to generate a dataset of over 16000 detailed cardiac simulations, which was then used to train neural network (NN) architectures designed to exploit both spatial and temporal correlations in the ECG signal. Analysis over a validation set showed average errors in activation map reconstruction below 1.7 msec over 75 intracardiac locations. Furthermore, phenotypical patterns of activation and the morphology of the activation potential were correctly reconstructed. The approach offers opportunities to stratify patients non-invasively, both retrospectively and prospectively, using metrics otherwise only available through invasive clinical procedures.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2005

CFD Simulation of Casing Treatment of Axial Flow Compressors

A computational study is carried out to understand the physical mechanism responsible for the improvement in stall margin of an axial flow rotor due to the circumferential casing grooves. It is shown that the computational tool used predicts an increase in operating range of the rotor when casing grooves are present. A budget of the axial momentum equation is carried out at the rotor casing in the tip gap in order to uncover the physical process behind this stall margin improvement. It is shown that for the smooth casing the net axial pressure force . However in the presence of casing grooves the net axial shear stress force acting at the casing is augmented by the axial force due to the radial transport of axial momentum, which occurs across the grooves and power stream interface. This additional force adds to the net axial viscous sheer force and thus leads to an increase in the stall margin of the rotor.

DeWitt, Kenneth↗
NASA NTRS2015

Non-Linear Slosh Damping Model Development and Validation

Propellant tank slosh dynamics are typically represented by a mechanical model of spring mass damper. This mechanical model is then included in the equation of motion of the entire vehicle for Guidance, Navigation and Control (GN&C) analysis. For a partially-filled smooth wall propellant tank, the critical damping based on classical empirical correlation is as low as 0.05%. Due to this low value of damping, propellant slosh is potential sources of disturbance critical to the stability of launch and space vehicles. It is postulated that the commonly quoted slosh damping is valid only under the linear regime where the slosh amplitude is small. With the increase of slosh amplitude, the critical damping value should also increase. If this nonlinearity can be verified and validated, the slosh stability margin can be significantly improved, and the level of conservatism maintained in the GN&C analysis can be lessened. The purpose of this study is to explore and to quantify the dependence of slosh damping with slosh amplitude. Accurately predicting the extremely low damping value of a smooth wall tank is very challenging for any Computational Fluid Dynamics (CFD) tool. One must resolve thin boundary layers near the wall and limit numerical damping to minimum. This computational study demonstrates that with proper grid resolution, CFD can indeed accurately predict the low damping physics from smooth walls under the linear regime. Comparisons of extracted damping values with experimental data for different tank sizes show very good agreements. Numerical simulations confirm that slosh damping is indeed a function of slosh amplitude. When slosh amplitude is low, the damping ratio is essentially constant, which is consistent with the empirical correlation. Once the amplitude reaches a critical value, the damping ratio becomes a linearly increasing function of the slosh amplitude. A follow-on experiment validated the developed nonlinear damping relationship. This discovery can lead to significant savings by reducing the number and size of slosh baffles in liquid propellant tanks.

Yang, H. Q.↗
DOE OSTI2023

Coupling SCALE with DAKOTA for Axial Burnup Profiles Assessment in Burnup Credit

This paper presents a computational study that demonstrates the application of the SCALE code system in conjunction with the Design Analysis Kit for Optimization and Terascale Applications (DAKOTA) for the analysis of key factors influencing the evaluation of burnup credit (BUC) in pressurized water reactors (PWRs). The primary objective of this analysis is to characterize the model by utilizing parameterization, uncertainty quantification, and optimization studies. Using this approach, we can comprehensively assess the system and conduct informed predictive studies. This study highlights the effectiveness of the SCALE code system integrated within the DAKOTA framework in terms of efficiency and capability. With the coupling of the burnup code ORIGAMI with the CSAS or TSUNAMI-3D sequence embedded in a DAKOTA analysis, we can characterize the factors that influence the k eff of PWR 17x17 spent nuclear fuel (SNF) in the GBC-32 computational benchmark cask for the assessment of BUC in criticality safety analysis. The coupling methodology used in this study is not exclusive to BUC analysis. However, the choice to apply this methodology to the BUC problem is particularly significant because of the diverse range of aspects it encompasses in nuclear criticality safety analyses. This problem presents a unique opportunity to explore and address multiple facets of such analyses related to BUC and illustrates the capability of the SCALE code system with DAKOTA. This analysis makes use of historical reference data for the axial burnup profile, where the entire space within the bounds is considered. Both SCALE and DAKOTA are currently integrated in the Nuclear Energy Advanced Modeling Simulation (NEAMS) Workbench code system, which has a user-friendly graphical interface that simplifies the setup of simulations and configuration of input parameters as well as the visualization of simulation results.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗