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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Hybrid Reduced Order Model for N2-N2 Interactions for Application to Dissociation and Energy Transfer Processes

This work presents a general framework for model reduction of non-equilibrium energy transfer and dissociation processes. The multi-group maximum-entropy method is coupled with the quasi-classical trajectory method to directly construct a reduced order model for chemical non-equilibrium. Kinetic data is calculated by applying detailed balance at a microscopic level, overcoming the limitation of calculating recombination kinetic data. This approach enables the construction of a reduced order model for kinetics which bypasses the need to compute state-to-state kinetic data. This physics based reduced order model ensures that an equilibrium distribution is reached given infinite time, while allowing for non-equilibrium distributions during the relaxation and dissociation processes. A proof-of-concept test case demonstrates the applicability of this model by comparison with state-to-state kinetic data for the N2(Chi (sup 1) Sigma ((sub g), (sup plus sign)) minus N ((exp 4) S (sub u)) system with excellent agreement.

Maximum Entropy↗
DOE OSTI2025

Energy migration and scintillation kinetics in compositionally complex (Gd 1/4 Y 1/4 Tb 1/4 Lu 1/4 ) 3 Al 5 O 12 :Ce single crystal scintillator

It is well-established that compositional tuning through binary admixture can improve scintillation performance in several materials systems, including Ce-activated garnets. Although recent work on ternary or quaternary cation admixture shows promise, the impact of this increased compositional complexity on thermal stability and carrier-defect dynamics has not been addressed. Here, we investigate a compositionally complex garnet, (Gd 1/4 Y 1/4 Tb 1/4 Lu 1/4 ) 3 Al 5 O 12 :Ce (GYTLAG), grown by the Czochralski method using temperature-dependent photoluminescence (PL), PL decay, and thermoluminescence (TL). PL and PL decay measurements support a thermally activated Tb 3+ -Ce 3+ energy transfer, where Tb 3+ emission dominates below 60 K, but Ce 3+ emission increases from 20-300 K. Thermal quenching of Ce 3+ emission occurs around T 50 = 508 K, with an activation energy of 0.6 eV. TL and wavelength-resolved TL spectra from 20–500 K show that GYTLAG contains similar trap groups to LuAG but with a broader distribution of glow peaks below room temperature, possibly caused by quaternary cation mixing. A combination of dose dependence, partial cleaning and initial rise, and glow curve fitting to a first order continuous Gaussian distribution model are used to understand the contribution of electronic point defects to scintillation decay and afterglow at room temperature. Furthermore, these results inform how increased compositional complexity influences recombination dynamics in garnet scintillators.

Compositionally complex↗
DOE OSTI2026

Multisite Proton–Coupled Electron Transfer at a Keggin-Type Polyoxotungstate

Proton−coupled electron transfer (PCET) governs many redox transformations, but is thermodynamically constrained when proton and electron transfer occur at a single site. Here, we introduce a new multisite PCET (MSPCET) platform, based on the Keggin-type polyoxotungstate, [VW 12 O 40 ] 3− (VW 12 ). Pairing VW 12 with either Brønsted bases or acids yields reagent pairs with tunable effective bond dissociation free energies (BDFE eff ) over 15 kcal mol −1 , enabling both oxidative and reductive H atom transfer reactions. Kinetic studies on the oxidative pathway by using 2,4,6- t Bu 3 PhOH as a model hydrogen atom (H atom) donor reveal a product-like, entropy-dominated concerted proton−electron transfer (CPET) pathway from a preorganized hydrogen-bonded complex. By contrast, reductive H atom transfer reactions exhibit larger ΔH ‡ values, measurable kinetic isotope effects, and balanced Brønsted slope, consistent with synchronous CPET-type mechanism. Extension to N−H, O−H, and C−H substrates demonstrates the versatility of the VW 12 MS-PCET platform for tunable (de)hydrogenation.

Charge transfer↗
NASA NTRS1998

A Second Law Based Unstructured Finite Volume Procedure for Generalized Flow Simulation

An unstructured finite volume procedure has been developed for steady and transient thermo-fluid dynamic analysis of fluid systems and components. The procedure is applicable for a flow network consisting of pipes and various fittings where flow is assumed to be one dimensional. It can also be used to simulate flow in a component by modeling a multi-dimensional flow using the same numerical scheme. The flow domain is discretized into a number of interconnected control volumes located arbitrarily in space. The conservation equations for each control volume account for the transport of mass, momentum and entropy from the neighboring control volumes. In addition, they also include the sources of each conserved variable and time dependent terms. The source term of entropy equation contains entropy generation due to heat transfer and fluid friction. Thermodynamic properties are computed from the equation of state of a real fluid. The system of equations is solved by a hybrid numerical method which is a combination of simultaneous Newton-Raphson and successive substitution schemes. The paper also describes the application and verification of the procedure by comparing its predictions with the analytical and numerical solution of several benchmark problems.

Majumdar, Alok↗
DOE OSTI2024

Flow and Heat Transfer Experimental Study for 3D-Printed Solar Receiving Tubes With Helical Fins at Internal Surface

3D-printing technology was applied to fabricate novel solar thermal collection tubes that have internal heat transfer enhancement fins and external surfaces with high solar absorptivity and low emissivity due to the ability to use different materials in one tube. Helical fins were selected to introduce circumferential flow and thus minimize the circumferential temperature difference of the tube that receives sunlight on one side. The structures of the helical fins were previously optimized from computational fluid dynamics (CFD) analysis with the objective of low entropy production rate by looking for high heat transfer coefficient and relatively lower pressure loss. High-temperature alloy, Inconel-718, was used to 3D print the tubes, which can resist corrosion for the potential application of molten chloride salts as heat transfer fluid. Experimental tests were carried out using water as the heat transfer fluid with the high heat flux provided by a tubular furnace heater. The tested Reynolds number ranges from 3.9 × 10 3 to 6.1 × 10 4 . Heat transfer coefficients of up to 2.8 times that of the smooth tube could be obtained with the expense of increased pressure loss compared to that of the smooth tube. The total system entropy generation can be significantly reduced due to the benefit of heat transfer enhancement that is greater than the expenses of the increased pressure loss. The experimental results of the 3D-printed heat transfer tubes confirmed the CFD-based results of fin optimization. Furthermore, the novel heat transfer tube is recommended for application in concentrating solar power systems.

14 SOLAR ENERGY↗
NASA NTRS1993

The structure of the broad-line region in the Seyfert galaxy Markarian 590

We have undertaken a nine-month study of continuum and emission-line variability in the Seyfert galaxy Mrk 590 in order to determine the structure of the broad-line region. The H-beta variations are found to lag behind those of the optical continuum by about 19 days. We apply a maximum entropy method to solve for the transfer function which relates the line and continuum variability. This analysis suggests that there is a deficit of emission-line response due to gas along the line of sight to the continuum source, as in the case of NGC 5548, although these data do not allow us to reject with confidence models with significant line-of-sight response. We also show that the H-beta line variability is apparently confined to the core of the emission line, as suggested previously by Ferland, Korista, and Peterson (1990).

Peterson, Bradley M.↗
NASA NTRS1994

Echo mapping the Balmer-emission region in NGC 3516

We use a maximum-entropy method to show that the transfer function (TF) of the broad-line region (BLR) in the Seyfert-1 galaxy NGC 3516 is time-varying. The TF decreased by nearly a factor of two over a time scale less than half a year during a monitoring campaign in 1990. We conclude that the observed time dependency is likely to be either due to variations of the spectral index of the ionizing continuum spectrum; due to a change in the number or covering fraction of broad-line clouds; due to nonlinear line response; or due to nonstationary anisotropy of the continuum source on time scales of several weeks to months. An extended continuum source could also explain the observed time-dependency. The symmetry of the time lag for variations in the red and blue wings of H-alpha indicates that the BLR kinematics is not dominated by organized radial inflow or outflow. If we assume circular orbits, the observed time lag 14 days at velocity v = 4000 km/s suggests a mass of the central object of approximately 2 x 10(exp 7) solar mass. The H-alpha TF peaks away from zero delay, indicating that the H-alpa BLR is either non-spherical or inwardly emitting.

Wanders, I.↗
NASA NTRS1995

Spectroscopic monitoring of active Galactic nuclei from CTIO. 1: NGC 3227

The results of a five-month monitoring campaign on the Seyfert 1.5 galaxy NGC 3227 are presented. Variability was detected in the continuum and in the broad emission lines. Cross correlations of the 4200 A continuum light curve with the H beta and He II wavelength 4686 emission-line light curves indicate delays of 18 +/- 5 and 16 +/- 2 days, respectively, between the continuum variations and the response of the lines. We apply a maximum entropy method to solve for the transfer function that relates the H beta and He II wavelength 4686 lines and 4200 A continuum variability and the result of this analysis suggests that there is a deficit of emission-line response due to gas along the line of sight to the continuum source for both lines. Using a composite off-nuclear spectrum, we synthesize the bulge stellar population, which is found to be mainly old (77% with age greater than 10 Gyr) with a metallicity twice the solar value. The synthesis also yields an internal color excess E(B - V) approximately equal 0.04. The mean contribution of the stellar population to the inner 5 sec x 10 sec spectra during the campaign was approximately equal 40%.

Winge, Claudia↗
DOE OSTI2025

Multi-modal effects on indirect noise induced by turbulent entropy fields

Planar entropy waves are commonly assumed for predicting indirect combustion noise. However, the non-planar and turbulent nature of flows found in most practical combustors challenges this assumption. In the present paper, we examine the indirect noise generated by non-planar and turbulent entropy fields through subsonic nozzles. Firstly, we introduce a new transfer function framework that accounts for the contribution of non-planar Fourier modes of the entropy field to the indirect noise spectra. When applied to a turbulent flow field, this method demonstrates a significant improvement in spectral predictions compared with a conventional approach that only considers the planar mode. Secondly, simulations show that non-planar Fourier modes become significant above a threshold frequency ƒ thresh , found in the mid- to high-frequency range. This contribution of non-planar modes is explained by two-dimensional shear effects that distort the entropy waves. A scaling relation that uses residence times along streamlines is developed for ƒ thresh , showing good agreement with simulation results. Finally, we show that the indirect noise from non-planar entropy modes found in aviation combustors can be significant at frequencies below 1 kHz, which might be relevant in situations of thermo-acoustic instabilities coupled to indirect noise.

42 ENGINEERING↗
NASA NTRS1977

Magnetic stirling cycles: A new application for magnetic materials

The elements of the cycle are summarized. The basic advantages include high entropy density in the magnetic material, completely reversible processes, convenient control of the entropy by the applied field, the feature that heat transfer is possible during all processes, and the ability of the ideal cycle to attain Carnot efficiency. The mean field theory is used to predict the entropy of a ferromagnet in an applied field and also the isothermal entropy change and isentropic temperature change caused by applying a field. The results for isentropic temperature change are compared with experimental data on Gd. Coarse mixtures of ferromagnetic materials with different Curie points are proposed to modify the path of the cycle in the T-S diagram in order to improve the efficiency or to increase the specific power.

Brown, G. V.↗
NASA NTRS1977

Magnetic Stirling cycles - A new application for magnetic materials

There is the prospect of a fundamental new application for magnetic materials as the working substance in thermodynamic cycles. Recuperative cycles which use a rare-earth ferromagnetic material near its Curie point in the field of a superconducting magnet appear feasible for applications from below 20 K to above room temperature. The elements of the cycle, advanced in an earlier paper, are summarized. The basic advantages include high entropy density in the magnetic material, completely reversible processes, convenient control of the entropy by the applied field, the feature that heat transfer is possible during all processes, and the ability of the ideal cycle to attain Carnot efficiency. The mean field theory is used to predict the entropy of a ferromagnet in an applied field and also the isothermal entropy change and isentropic temperature change caused by applying a field. Results are presented for J = 7/2 and g = 2. The results for isentropic temperature change are compared with experimental data on Gd. Coarse mixtures of ferromagnetic materials with different Curie points are proposed to modify the path of the cycle in the T-S diagram in order to improve the efficiency or to increase the specific power.

Brown, G. V.↗
NASA NTRS1976

Real gas scale effects on hypersonic laminar boundary-layer parameters including effects of entropy-layer swallowing

Inviscid and viscous (laminar boundary-layer) flow-field calculations under perfect gas hypersonic wind tunnel and equilibrium real gas flight conditions are presented for the windward centerline of the Rockwell International 139 Space Shuttle Orbiter at a 30-deg angle of attack. Correlation parameters for laminar boundary-layer edge quantities and surface heat transfer are developed which properly account for entropy-layer-swallowing effects under both real and perfect gas conditions. Some implications of the proposed correlation parameters on boundary-layer transition are discussed.

Adams, J. C., Jr.↗
NASA NTRS2022

Interaction of a Tunnel-like Acoustic Disturbance Field with a Blunt Cone Boundary Layer at Mach 8

The existing measurements of laminar-to-turbulent transition over circular cones in conventional (i.e., “noisy”) hypersonic wind tunnels have established that the transition location moves downstream when the nose radius is increased from zero. However, this initially downstream movement slows down and ultimately reverses beyond a critical value of the nose radius, and may be related to external forcing in the form of freestream disturbances and/or surface roughness. To understand the effects of freestream acoustic disturbances on transition reversal over a blunt body, hypersonic boundary-layer receptivity to broadband freestream acoustic disturbances from the nozzle wall of a digital conventional wind tunnel is investigated by both direct numerical simulations (DNS) and modal and nonmodal stability analysis. A Mach 8 flow over a 7 deg half-angle cone with a nose radius of 𝑅 𝑛 = 5.2mm and freestream Reynolds number of 12.2 × 10 6 m -1 is considered. The results show that the broadband tunnel noise in the free stream of a convectional hypersonic wind tunnel (i.e., outside of the nozzle-wall turbulent boundary layer) can be well represented by an acoustic model with an ansatz of slow acoustic waves. With successful calibration of the model parameters against the precursor tunnel DNS, such an acoustic ansatz can successfully reproduce both the frequency-wavenumber spectra and the temporal evolution of the broadband tunnel noise radiated from the nozzle wall. Additionally, the DNS of the Mach 8 blunt cone with tunnel-like acoustic input above the bow shock showed that the spectra of wall-pressure and heat-transfer fluctuations recovers the signature of the axisymmetric waves predicted by the nonmodal analysis. Furthermore, the azimuthal wavenumber and frequency spectrum of the temperature fluctuations as a function of the wall-normal distance show higher amplitudes for three-dimensional waves above the boundary-layer edge. The numerical schlieren contours show the inclined structures commonly observed in blunt cone experiments, demonstrating that they correspond to three-dimensional structures due to freestream disturbances in the presence of an entropy layer.

Boundary-layer transition↗
NASA NTRS2016

Isentropic Analysis of a Simulated Hurricane

Hurricanes, like many other atmospheric flows, are associated with turbulent motions over a wide range of scales. Here the authors adapt a new technique based on the isentropic analysis of convective motions to study the thermodynamic structure of the overturning circulation in hurricane simulations. This approach separates the vertical mass transport in terms of the equivalent potential temperature of air parcels. In doing so, one separates the rising air parcels at high entropy from the subsiding air at low entropy. This technique filters out oscillatory motions associated with gravity waves and separates convective overturning from the secondary circulation. This approach is applied here to study the flow of an idealized hurricane simulation with the Weather Research and Forecasting (WRF) Model. The isentropic circulation for a hurricane exhibits similar characteristics to that of moist convection, with a maximum mass transport near the surface associated with a shallow convection and entrainment. There are also important differences. For instance, ascent in the eyewall can be readily identified in the isentropic analysis as an upward mass flux of air with unusually high equivalent potential temperature. The isentropic circulation is further compared here to the Eulerian secondary circulation of the simulated hurricane to show that the mass transport in the isentropic circulation is much larger than the one in secondary circulation. This difference can be directly attributed to the mass transport by convection in the outer rainband and confirms that, even for a strongly organized flow like a hurricane, most of the atmospheric overturning is tied to the smaller scales.

convection↗
DOE OSTI2025

Isopotential Electron Titration of Ammonia Charge Transfer on Metal Catalysts

Electron transfer between adsorbates and surfaces determines the binding strength and reactivity of chemical moieties on materials designed for separations and catalysis. To quantify electron exchange, the extent of charge transfer resulting from ammonia adsorption on a Ru surface was measured by isopotential electron titration (IET) on a Ru catalytic condenser, where isopotential conditions were maintained between Ru and silicon separated by an insulating HfO 2 layer during gas phase ammonia adsorption. Charge transfer upon ammonia adsorption on a Ru catalytic condenser increased from 40 to 1200 nC/cm 2 at 75 and 225 °C, respectively. Charge transfer measurements provided a direct estimate of ammonia adsorption thermodynamics on Ru without knowing surface coverages a priori, revealing an adsorption enthalpy of −53 ± 10 kJ/mol and entropy of −61 ± 26 J/mol·K. Combining experimentally-measured charge transfer with kinetic Monte Carlo simulations informed adsorbate surface coverages determined that 0.058 electrons were transferred to the Ru surface for each molecular ammonia adsorption event (δ NH 3 = 0.058 ± 0.005 e – /NH 3 *), consistent with calculated Bader charges. The ability to measure the extent of charge transfer for adsorbed species provides a fundamental descriptor to understand existing and new chemically functional surfaces, providing a foundational method for the emerging field of thermochemical surface coulometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Numerical performance estimates for a generic hypersonic forebody

The computation of a hypersonic flow past the forebody of a hypersonic vehicle is analyzed for two sets of flow conditions: the first represents flow conditions of an experimental test of the model in the Calspan 96-inch shock tunnel, and the second set is chosen to represent actual flight conditions. Solutions are derived for sharp- and blunt-nose versions of the geometry in order to understand the effects of the entropy layer on the forebody pressure and heat transfer rates. Some sensitivity of predicted heating rates to grid refinement is observed, but it is found to be small compared to the effects of bluntness. Real-gas effects are studied for the blunt-nose version at flight-like conditions, and these effects are found to have a significant effect on inlet-face performance measures such as mass capture and kinetic energy efficiency.

Lawrence, Scott L.↗
NASA NTRS1984

Engineering flowfield method with angle-of-attack applications

An approximate inviscid flowfield method has been extended to include heat-transfer predictions using a technique to account for variable-entropy edge conditions. The engineering code computes the flowfield over hyperboloids, ellipsoids, paraboloids, and sphere cones at 0 deg angle of attack (AOA). For angle-of-attack applications, an approximation to sphere-cone streamline-spreading effects on the heat transfer along the windward and leeward rays and an empirical circumferential heating technique have been incorporated also in the method. The present engineering calculations yield good comparisons with existing pressure and heating data over sphere cones even at high incidence values with the restriction that the sonic-line location remain on the spherical cap.

Zoby, E. V.↗