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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Two-Photon Laser-Induced Fluorescence O and N Atoms for the Study of Heterogeneous Catalysis in a Diffusion Reactor

Advanced laser-based diagnostics have been developed to examine catalytic effects and atom/surface interactions on thermal protection materials. This study establishes the feasibility of using laser-induced fluorescence for detection of O and N atom loss in a diffusion tube to measure surface catalytic activity. The experimental apparatus is versatile in that it allows fluorescence detection to be used for measuring species selective recombination coefficients as well as diffusion tube and microwave discharge diagnostics. Many of the potential sources of error in measuring atom recombination coefficients by this method have been identified and taken into account. These include scattered light, detector saturation, sample surface cleanliness, reactor design, gas pressure and composition, and selectivity of the laser probe. Recombination coefficients and their associated errors are reported for N and O atoms on a quartz surface at room temperature.

Pallix, Joan B.↗
NASA NTRS1986

An updated hydrocarbon photochemical model for the Jovian atmosphere from the troposphere through the homopause: A prelude to Galileo

A photochemical model for the atmosphere of Jupiter, including 1-D vertical eddy diffusive transport, was developed. It extends from the upper troposphere through the homopause. The hydrocarbon chemistry involves species containing up to four carbon atoms (and polyynes through C8H2). The calculations show that a large fraction of photochemical carbon may be contained in molecules with more than two carbon atoms. At the tropopause, C2H6 is the major photochemical species and C2H2, C3H8, and C4H10 are of comparable abundance and down from C2H6 by a factor of ten. These species may be detectable with the mass spectrometer of the Galileo Probe. The vertical distributions of the photochemical species are sensitive to the magnitude of eddy diffusive mixing in the troposphere and stratosphere and the details of the interface region.

Allen, M.↗
NASA NTRS1991

Modeling of InP metalorganic chemical vapor deposition

The growth of InP by metalorganic chemical vapor deposition (MOCVD) in a horizontal reactor is being modeled with a commercially available computational fluid dynamics modeling code. The mathematical treatment of the MOCVD process has four primary areas of concern: 1) transport phenomena, 2) chemistry, 3) boundary conditions, and 4) numerical solution methods. The transport processes involved in CVD are described by conservation of total mass, momentum, energy, and atomic species. Momentum conservation is described by a generalized form of the Navier-Stokes equation for a Newtonian fluid and laminar flow. The effect of Soret diffusion on the transport of particular chemical species and on the predicted deposition rate is examined. Both gas-phase and surface chemical reactions are employed in the model. Boundary conditions are specified at the inlet and walls of the reactor for temperature, fluid flow and chemical species. The coupled set of equations described above is solved by a finite difference method over a nonuniform rectilinear grid in both two and three dimensions. The results of the 2-D computational model is presented for gravity levels of zero- and one-g. The predicted growth rates at one-g are compared to measured growth rates on fused silica substrates.

Black, Linda R.↗
NASA NTRS1979

Investigation of the feasibility of CARS measurements in scramjet combustion

Results are presented of analytical and experimental investigations to determine the feasibility of using coherent anti-Stokes Raman spectroscopy (CARS) to measure temperature and species concentrations in supersonic combustion experiments. Experimental CARS spectra of O2 and H2 in a laboratory flat H2 - air diffusion flame are presented. Temperatures deduced from both species generally agree with radiation corrected thermocouple measurements. Oxygen concentrations were determined from the shape of the experimental spectra. Measured H2 CARS signal magnitudes are in good agreement with analytical predictions based on H2 concentration profiles determined from spontaneous Raman scattering. Based on these results, CARS diagnostics appear to be feasible if problems associated with the supersonic flow are not too severe.

Shirley, J. A.↗
NASA NTRS1991

Influence of mass diffusion on the stability of thermophoretic growth of a solid from the vapor phase

The stability of solid planar growth from a binary vapor phase with a condensing species dilute in a carrier gas is examined when the ratio of depositing to carrier species molecular mass is large and the main diffusive transport mechanism is thermal diffusion. It is shown that a deformation of the solid-gas interface induces a deformation of the gas phase isotherms that increases the thermal gradients and thereby the local mass deposition rate at the crests and reduces them at the valleys. The initial surface deformation is enhanced by the modified deposition rates in the absence of appreciable Fick/Brownian diffusion and interfacial energy effects.

Castillo, J. L.↗
NASA NTRS1999

Diffusion, Fluxes, Friction Forces, and Joule Heating in Two-Temperature Multicomponent Magnetohydrodynamics

The relationship between Joule heating, diffusion fluxes, and friction forces has been studied for both total and electron thermal energy equations, using general expressions for multicomponent diffusion in two-temperature plasmas with the velocity dependent Lorentz force acting on charged species in a magnetic field. It is shown that the derivation of Joule heating terms requires both diffusion fluxes and friction between species which represents the resistance experienced by the species moving at different relative velocities. It is also shown that the familiar Joule heating term in the electron thermal energy equation includes artificial effects produced by switching the convective velocity from the species velocity to the mass-weighted velocity, and thus should not be ignored even when there is no net energy dissipation.

Chang, C. H.↗
NASA NTRS1997

A Three-Wave Model of the Stratosphere with Coupled Dynamics, Radiation and Photochemistry

A zonal mean chemistry transport model (2-D CTM) coupled with a semi-spectral dynamical model is used to simulate the distributions of trace gases in the present day atmosphere. The zonal-mean and eddy equations for the velocity and the geopotential height are solved in the semi-spectral dynamical model. The residual mean circulation is derived from these dynamical variables and used to advect the chemical species in the 2- D CTM. Based on a linearized wave transport equation, the eddy diffusion coefficients for chemical tracers are expressed in terms of the amplitude, frequency and growth rate of dynamical waves; local chemical loss rates; and a time constant parameterizing small scale mixing. The contributions to eddy flux are from the time varying wave amplitude (transient eddy), chemical reactions (chemical eddy) and small scale mixing. In spite of the high truncation in the dynamical module (only three longest waves are resolved), the model has simulated many observed characteristics of stratospheric dynamics and distribution of chemical species including ozone. Compared with the values commonly used in 2-D CTMs, the eddy diffusion coefficients for chemical species calculated in this model are smaller, especially in the subtropics. It is also found that the chemical eddy diffusion has only a small effects in determining the distribution of most slow species, including ozone in the stratosphere.

Shia, Run-Lie↗
NASA NTRS1990

An analytic model of axisymmetric mantle plume due to thermal and chemical diffusion

An analytic model of axisymmetric mantle plumes driven by either thermal diffusion or combined diffusion of both heat and chemical species from a point source is presented. The governing equations are solved numerically in cylindrical coordinates for a Newtonian fluid with constant viscosity. Instead of starting from an assumed plume source, constraints on the source parameters, such as the depth of the source regions and the total heat input from the plume sources, are deduced using the geophysical characteristics of mantle plumes inferred from modelling of hotspot swells. The Hawaiian hotspot and the Bermuda hotspot are used as examples. Narrow mantle plumes are expected for likely mantle viscosities. The temperature anomaly and the size of thermal plumes underneath the lithosphere can be sensitive indicators of plume depth. The Hawaiian plume is likely to originate at a much greater depth than the Bermuda plume. One suggestive result puts the Hawaiian plume source at a depth near the core-mantle boundary and the source of the Bermuda plume in the upper mantle, close to the 700 km discontinuity. The total thermal energy input by the source region to the Hawaiian plume is about 5 x 10(10) watts. The corresponding diameter of the source region is about 100 to 150 km. Chemical diffusion from the same source does not affect the thermal structure of the plume.

Liu, Mian↗
DOE OSTI2025

Superionic Surface Li-Ion Transport in Carbonaceous Materials

Unlike Li-ion transport in the bulk of carbonaceous materials, little is known about Li-ion diffusion on their surface. Here, in this study, we have discovered an ultrafast Li-ion transport phenomenon on the surface of carbonaceous materials with limited reversible Li insertion capacity and high surface area. An ionic conductivity of 18.1 mS cm –1 at room temperature is observed in lithiated Ketjen black (KB), far exceeding those of most solid-state ion conductors. Theoretical calculations reveal low diffusion barriers for the surface Li species. As a result, lithiated KB functions effectively as an interlayer between Li and solid-state electrolytes (SSEs) to mitigate dendrite growth. Further, lithiated KB acts as a high-performance mixed ionic–electronic conductor and replaces solid electrolytes to enhance graphite anode performance, demonstrating full utilization with ∼85% capacity retention over 300 cycles. The discovery of this surface-mediated ultrafast Li-ion transport mechanism provides new directions for the design of solid-state ion conductors and solid-state batteries.

Li metal batteries↗
DOE OSTI2026

Development of MOSCATO: A CFD-Level Electrochemistry and Corrosion Simulator for Molten Salt Systems

For both coolant and fueled variants of molten salt reactors (MSRs), the corrosion of structural materials is a significant challenge. The corrosion stems from chemical and electrochemical reactions initiated by fissile material, fission products, and impurities in the salt. Lower-fidelity models rely on empirical correlations for mass transfer, simplified lumped temperature profiles, and similar assumptions. They do not capture detailed spatial variations in complex geometries, creating the need for high-fidelity modeling to bridge this gap.As we approach the demonstration and possible deployment of MSRs in this decade, the development of a high-fidelity, high-performance simulator becomes imperative. To simulate the complex electrochemical environment and corrosion within molten salt systems, we have developed the Molten Salt Chemistry And TranspOrt (MOSCATO) code. This endeavor is comprised of three essential components. First, mass transfer equations are coupled with the Navier-Stokes equations in order to account for the transport of species in the salt. Second, the diffusion of alloy constituents, such as Cr, Fe, Ni, etc. is simulated within the structural metals. Third, the alloy and salt domains are coupled to account for the heterogeneous chemical and electrochemical reactions that occur at the salt-alloy interface.MOSCATO manages all three components within the framework of the highly scalable, open-source spectral element method computational fluid dynamics code Nek5000/NekRS. This integration enables MOSCATO to harness the immense computational power of modern high-performance computing resources, ensuring both high fidelity and computational speed.In addition to code development, we have initiated a comprehensive verification and validation campaign, utilizing data from diverse sources. First, MOSCATO's electrochemical solver was verified with reference numerical data. Then validation occurred against experiments: one of a thermal galvanic cell and the other for corrosion in flowing molten salt of FLiNaK (LiF-NaF-KF). This campaign verified and validated MOSCATO as a reliable tool for simulating electrochemical environments and corrosion in molten salt systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Exploring Local Ionic Motion in Perovskite Solar Cells at Nanoscale through Scanning Thermo-Ionic Microscopy

We investigate the local ionic motion in the absorber layer of perovskite solar cells using scanning thermo-ionic microscopy (STIM). STIM images of perovskite films show higher STIM amplitude at most of the grain boundaries due to higher ionic motion at those regions. The perovskite absorber layer of devices aged under blue (450 nm) light soaking shows higher amplitude in STIM signal compared to controls kept in dark storage. Such enhancement of STIM amplitude upon aging under light implies an increased concentration or diffusivity (or both) of mobile ionic species in stressed devices. Our results demonstrate the utilization of the STIM technique to assess and understand the intrinsic local ionic motion in perovskite absorbers for further advancement in device stability and functionality.

aging↗
NASA NTRS1977

Induced gyroresonant emission of extraordinary mode radiation

Induced amplification of extraordinary-mode electromagnetic waves in a magnetized plasma is investigated. The analysis is performed for a plasma which consists of two components: a relatively dense species of thermal plasma and a diffuse population of suprathermal electrons characterized by a loss cone-type distribution. The excitation mechanism is primarily due to the interaction of the electromagnetic waves with the energetic electrons via the relativistic cyclotron resonance which arises because of the momentum dependence of the gyrofrequency. The present study is particularly concerned with waves propagating perpendicularly and nearly perpendicularly with respect to the external magnetic field, since it is expected that for these cases the cyclotron damping due to thermal electrons is vanishingly small and the growth rates are maximum. The results indicate that excitation occurs primarily for frequencies near the first two gyroharmonics.

Freund, H. P.↗
NASA NTRS1987

Numerical simulation of a supersonic reacting mixing layer

In order to arrive at physical models that can adequately describe supersonic combustion, and develop accurate and efficient numerical techniques for the solution of such models' governing equations, a computer program has been developed for the study of reacting flows which considers the multicomponent diffusion and convection of important chemical species, as well as their finite state reaction and the interaction of the fluid mechanics and the chemistry that occurred. The code employs a hybrid Chebyshev pseudospectral technique for integration of the models' resulting governing equations; the program is here used to study a spatially developing and reacting mixing layer.

Drummond, J. Philip↗
NASA NTRS1988

A two-dimensional numerical simulation of a supersonic, chemically reacting mixing layer

Research has been undertaken to achieve an improved understanding of physical phenomena present when a supersonic flow undergoes chemical reaction. A detailed understanding of supersonic reacting flows is necessary to successfully develop advanced propulsion systems now planned for use late in this century and beyond. In order to explore such flows, a study was begun to create appropriate physical models for describing supersonic combustion, and to develop accurate and efficient numerical techniques for solving the governing equations that result from these models. From this work, two computer programs were written to study reacting flows. Both programs were constructed to consider the multicomponent diffusion and convection of important chemical species, the finite rate reaction of these species, and the resulting interaction of the fluid mechanics and the chemistry. The first program employed a finite difference scheme for integrating the governing equations, whereas the second used a hybrid Chebyshev pseudospectral technique for improved accuracy.

Drummond, J. Philip↗
NASA NTRS1988

Transport into the south polar vortex in early spring

Estimates of the mean circulation and diffusive transport of ozone and other species into the Antarctic polar vortex during the spring of 1987 are made using data from the Airborne Antarctic Ozone Experiment. Measurements of long-lived tracers of tropospheric origin remained relatively constant at the levels of the maximum rate of decline of ozone during September. At lower levels in the stratosphere some evidence exists to support intrusions of tropospheric or low latitude air. Given the distribution in latitude and height of these tracers measured from the ER-2 aircraft, it can be inferred that the Lagrangian or diabatic mean circulation was zero or downward over Antarctica during the period of the ozone decline. The observation of a decline in ozone therefore requires a photochemical sink for ozone. The magnitude of the required photochemical sink must be sufficient to offset the transport of ozone into the polar region and produce the observed decline. Quasi-isentropic mixing and downward motion are coupled and are difficult to estimate from a single tracer. The full suite of measured tracers and auxiliary information are brought together to provide an estimate of the rate at which air is cycled through the polar vortex during spring. Estimates of large scale transport of potential vorticity and ozone from previous years are generally consistent with the data from the airborne experiment in suggesting a relatively slow rate of mass flow through the polar vortex in the lower stratosphere during September.

Hartmann, D.↗
NASA NTRS1989

Navier-Stokes analysis of cold scramjet-afterbody flows

The progress of two efforts in coding solutions of Navier-Stokes equations is summarized. The first effort concerns a 3-D space marching parabolized Navier-Stokes (PNS) code being modified to compute the supersonic mixing flow through an internal/external expansion nozzle with multicomponent gases. The 3-D PNS equations, coupled with a set of species continuity equations, are solved using an implicit finite difference scheme. The completed work is summarized and includes code modifications for four chemical species, computing the flow upstream of the upper cowl for a theoretical air mixture, developing an initial plane solution for the inner nozzle region, and computing the flow inside the nozzle for both a N2/O2 mixture and a Freon-12/Ar mixture, and plotting density-pressure contours for the inner nozzle region. The second effort concerns a full Navier-Stokes code. The species continuity equations account for the diffusion of multiple gases. This 3-D explicit afterbody code has the ability to use high order numerical integration schemes such as the 4th order MacCormack, and the Gottlieb-MacCormack schemes. Changes to the work are listed and include, but are not limited to: (1) internal/external flow capability; (2) new treatments of the cowl wall boundary conditions and relaxed computations around the cowl region and cowl tip; (3) the entering of the thermodynamic and transport properties of Freon-12, Ar, O, and N; (4) modification to the Baldwin-Lomax turbulence model to account for turbulent eddies generated by cowl walls inside and external to the nozzle; and (5) adopting a relaxation formula to account for the turbulence in the mixing shear layer.

Baysal, Oktay↗
NASA NTRS1989

Parabolized Navier-Stokes algorithm for chemically reacting flows

A second-order parabolized Navier-Stokes algorithm based on the MacCormack (1969) explicit scheme is used to study three-dimensional chemically reacting flows with finite-rate chemistry. The method can treat the chemical source term implicitly, and it accounts for the multicomponent diffusion and convection of the chemical species. The method is demonstrated with the nonreacting case of a Mach-3 flow over a double-wedge compression corner and the case of streamwise hydrogen injection at sonic velocity in a Mach-2.44 vitiated air stream.

Kamath, H.↗