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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

A model for reaction rates in turbulent reacting flows

To account for the turbulent temperature and species-concentration fluctuations, a model is presented on the effects of chemical reaction rates in computer analyses of turbulent reacting flows. The model results in two parameters which multiply the terms in the reaction-rate equations. For these two parameters, graphs are presented as functions of the mean values and intensity of the turbulent fluctuations of the temperature and species concentrations. These graphs will facilitate incorporation of the model into existing computer programs which describe turbulent reacting flows. When the model was used in a two-dimensional parabolic-flow computer code to predict the behavior of an experimental, supersonic hydrogen jet burning in air, some improvement in agreement with the experimental data was obtained in the far field in the region near the jet centerline. Recommendations are included for further improvement of the model and for additional comparisons with experimental data.

Chinitz, W.↗
DOE OSTI2024

Insights into water extraction and aggregation mechanisms of malonamide-alkane mixtures

Structure at the nanoscale in the organic phase of liquid–liquid extraction systems is often tied to separation performance. However, the weak interactions that drive extractant assembly lead to poorly defined structures that are challenging to identify. Here, in this work, we investigate the mechanism of water extraction for a malonamide extractant commonly applied to f-element separations. We measure extractant concentration fluctuations in the organic phase with small angle X-ray scattering (SAXS) before and after contact with water at fine increments of extractant concentration, finding no qualitative changes upon water uptake that might suggest significant nanoscopic reorganization of the solution. The critical composition for maximum fluctuation intensity is consistent with small water–extractant adducts. The extractant concentration dependence of water extraction is consistent with a power law close to unity in the low concentration regime, suggesting the formation of 1 : 1 water–extractant adducts as the primary extraction mechanism at low concentration. At higher extractant concentrations, the power law slope increases slightly, which we find is consistent with activity effects modeled using Flory–Huggins theory without introduction of additional extractant–water species. Molecular dynamics simulations are consistent with these findings. The decrease in interfacial tension with increasing extractant concentration shows a narrow plateau region, but it is not correlated with any change in fluctuation or water extraction trends, further suggesting no supramolecular organization such as reverse micellization. This study suggests that water extraction in this system is particularly simple: it relies on a single mechanism at all extractant concentrations, and only slightly enhances the concentration fluctuations characteristic of the dry binary extractant/diluent mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Hydrogen leak detection in the Space Shuttle

This study focuses on a helium gas jet flowing into room air. Measurements of helium concentration and velocity in the jet-air mixture are reported. The objective is to learn about jet characteristics so that dynamically similar hydrogen leaks may be located in the Space Shuttle. The hazardous gas detection system (HGDS) in the mobile launch pad uses mass spectrometers to monitor the shuttle environment for leaks. The mass spectrometers are fed by long sample tubes which draw gas from the payload bay, mid body, aft engine compartment and external tank. The overall purpose of this study is to improve the HGDS especially in its potential for locating hydrogen leaks. A rapid-response leak detection experiment was designed, built, and tested, following on the work done in this program last summer. The apparatus included a Perkin Elmer MGA-1200 mass spectrometer and air velocity transducer, both monitored by a Macintosh IIFX computer using LabVIEW software. A jet of helium flowing into the lab air simulated a gas leak. Steady helium or hydrogen-nitrogen jets were logged for concentration and velocity, and the power spectral density of each was computed. Last year, large eddies and vortices were visually seen with Schlieren imaging, and they were detected in the time plots of the various instruments. The response time of the MGA-1200 was found in the range of 0.05 to 0.1 sec. Pulsed concentration waves were clearly detected at 25 cycles per sec by spectral analysis of MGA data. No peaks were detected in the power spectrum, so in the present study, 10 Hz bandwidth-averaged power levels were examined at regular frequency intervals. The practical consequences of last year's study are as follows: sampling frequency should be increased above the present rate of 1 sample per second so that transients could be observed and analyzed with frequency response methods. Many more experiments and conditions were observed in this second summer, including the effects of orifice diameter, jet velocity, sample tube design, radial effects, vertical flow, and low hydrogen concentrations (1 percent). A frequent observation was that the power spectrum, calculated from the Fourier transform of concentration fluctuations, gives a separate piece of information from concentration. Many of the tests suggest that power is high where mixing occurs at the helium-air interface. This fact is apparently independent of the concentration level, which could be high or low, but depends on the sample location relative to the jet (leak) origin, whereas high concentration may be due to a strong leak far away or a small leak close to the sample tube. If the power is low for any concentration level, this would signify helium is arriving at the sample tube by diffusion, not chaotic mixing caused by the jet interaction with air. The practical result is to propose a modification of the HGDL mass spectrometer data sampling and software so that sampling rates could be capable of observing at least 25 Hz fluctuations.

Barile, Ronald G↗
NASA NTRS1990

Notes on initial disturbance fields for the transition problem

Initial disturbance fields are categorized and discussed with respect to modes of disturbance and the variants which occur for each test technique. Attention is focused on four fluctuation modes included under the category of stream turbulence: vorticity fluctuations, entropy disturbances or temperature spottiness, noise, and concentration fluctuations. The mechanisms by which particulate matter can affect transition are discussed, along with electrostatic discharges with frequencies in the range from 200 KHz to 30 MHz which is within the critical disturbance-frequency range for many high-speed flows. Acoustic radiation from own vehicle, roughness, and Brownian motion are also covered.

Bushnell, Dennis↗
DOE OSTI2024

Direct numerical simulations of three-component Rayleigh–Taylor mixing and an improved model for multicomponent reacting mixtures

We present direct numerical simulations of a three-layer Rayleigh–Taylor instability (RTI) problem with a configuration based on the experiments of Suchandra & Ranjan ( J. Fluid Mech. , vol. 974, 2023, A35) and Jacobs & Dalziel ( J. Fluid Mech. , vol. 542, 2005, pp. 251–279). The problem consists of a layer of light fluid between two layers of heavy fluid with an Atwood number of 0.3. These simulations are first validated through comparison with available experimental data. The validated simulations are then utilized to analyse statistics in this three-component flow. First, length scales are examined utilizing spectra and two-point spatial correlations of velocity and species concentration fluctuations. Next, joint probability density functions (p.d.f.s) of species concentration are compared against several model p.d.f.s representing generalizations of the bivariate beta distribution. Notably, the joint p.d.f.s do not appear to be accurately described by a Dirichlet distribution, indicating the marginal distributions do not conform to a beta distribution. Finally, similarity of the present configuration to three-component mixing found in inertial confinement fusion (ICF) applications is exploited to develop and validate an improved model for the impact of multicomponent mixing on thermonuclear (TN) reaction rates. A single time instant from the present simulations is chosen for a TN burn calculation under the hypothetical assumption of ICF materials and temperatures. Total TN output from this second calculation is then compared against the prediction of the improved model. The new model is found to accurately predict TN reaction rates in both premixed and non-premixed configurations.

42 ENGINEERING↗
NASA NTRS1984

Detailed Performance Calculations: Portland State Group, Appendix F

For the Portland State University FAGE instrument, laser induced OH is calculated from (OH) laser = Cl(03)amb(H2O)amb. The dominant noise sources are the photon-counting fluctuations associated with the OH signal and the fluorescence background as well as concentration fluctuations in OH and in the species causing the background. Baric filtering and temporal filtering suppress the background by factors of 10 each.

Source record↗
NASA NTRS1986

Influence of large-scale motion on turbulent transport for confined coaxial jets. Volume 2: Navier-Stokes calculations of swirling and nonswirling confined coaxial jets

The existence of large scale coherent structures in turbulent shear flows has been well documented. Discrepancies between experimental and computational data suggest a necessity to understand the roles they play in mass and momentum transport. Using conditional sampling and averaging on coincident two-component velocity and concentration velocity experimental data for swirling and nonswirling coaxial jets, triggers for identifying the structures were examined. Concentration fluctuation was found to be an adequate trigger or indicator for the concentration-velocity data, but no suitable detector was located for the two-component velocity data. The large scale structures are found in the region where the largest discrepancies exist between model and experiment. The traditional gradient transport model does not fit in this region as a result of these structures. The large scale motion was found to be responsible for a large percentage of the axial mass transport. The large scale structures were found to convect downstream at approximately the mean velocity of the overall flow in the axial direction. The radial mean velocity of the structures was found to be substantially greater than that of the overall flow.

Weinberg, B. C.↗
NASA NTRS1986

Influence of large-scale motion on turbulent transport for confined coaxial jets. Volume 1: Analytical analysis of the experimental data using conditional sampling

The existence of large scale coherent structures in turbulent shear flows has been well documented. Discrepancies between experimental and computational data suggest a necessity to understand the roles they play in mass and momentum transport. Using conditional sampling and averaging on coincident two component velocity and concentration velocity experimental data for swirling and nonswirling coaxial jets, triggers for identifying the structures were examined. Concentration fluctuation was found to be an adequate trigger or indicator for the concentration-velocity data, but no suitable detector was located for the two component velocity data. The large scale structures are found in the region where the largest discrepancies exist between model and experiment. The traditional gradient transport model does not fit in this region as a result of these structures. The large scale motion was found to be responsible for a large percentage downstream at approximately the mean velocity of the overall flow in the axial direction. The radial mean velocity of the structures was found to be substantially greater than that of the overall flow.

Brondum, D. C.↗
NASA NTRS1982

A comprehensive model to determine the effects of temperature and species fluctuations on reaction rates in turbulent reacting flows

A principal element to be derived from modeling turbulent reacting flows is an expression for the reaction rates of the various species involved in any particular combustion process under consideration. A temperature-derived most-likely probability density function (pdf) was used to describe the effects of temperature fluctuations on the Arrhenius reaction rate constant. A most-likely bivariate pdf described the effects of temperature and species concentrations fluctuations on the reaction rate. A criterion is developed for the use of an "appropriate" temperature pdf. The formulation of models to calculate the mean turbulent Arrhenius reaction rate constant and the mean turbulent reaction rate is considered and the results of calculations using these models are presented.

Foy, E.↗
DOE OSTI2022

SiGe quantum wells with oscillating Ge concentrations for quantum dot qubits

Large-scale arrays of quantum-dot spin qubits in Si/SiGe quantum wells require large or tunable energy splittings of the valley states associated with degenerate conduction band minima. Existing proposals to deterministically enhance the valley splitting rely on sharp interfaces or modifications in the quantum well barriers that can be difficult to grow. Here, we propose and demonstrate a new heterostructure, the “Wiggle Well”, whose key feature is Ge concentration oscillations inside the quantum well. Experimentally, we show that placing Ge in the quantum well does not significantly impact our ability to form and manipulate single-electron quantum dots. We further observe large and widely tunable valley splittings, from 54 to 239 μ eV. Tight-binding calculations, and the tunability of the valley splitting, indicate that these results can mainly be attributed to random concentration fluctuations that are amplified by the presence of Ge alloy in the heterostructure, as opposed to a deterministic enhancement due to the concentration oscillations. Quantitative predictions for several other heterostructures point to the Wiggle Well as a robust method for reliably enhancing the valley splitting in future qubit devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Critical fluctuations in liquid–liquid extraction organic phases controlled by extractant and diluent molecular structure

Extractant aggregation in liquid–liquid extraction organic phases impacts extraction energetics and is related to the deleterious efficiency-limiting liquid–liquid phase transition known as third phase formation. Using small angle X-ray scattering, we find that structural heterogeneities across a wide range of compositions in binary mixtures of malonamide extractants and alkane diluents are well described by Ornstein–Zernike scattering. This suggests that structure in these simplified organic phases originates from the critical point associated with the liquid–liquid phase transition. To confirm this, we measure the temperature dependence of the organic phase structure, finding critical exponents consistent with the 3D Ising model. Molecular dynamics simulations were also consistent with this mechanism for extractant aggregation. Due to the absence of water or any other polar solutes required to form reverse-micellar-like nanostructures, these fluctuations are inherent to the binary extractant/diluent mixture. Further, we also show how the molecular structure of the extractant and diluent modulate these critical concentration fluctuations by shifting the critical temperature: critical fluctuations are suppressed by increasing extractant alkyl tail lengths or decreasing diluent alkyl chain lengths. This is consistent with how extractant and diluent molecular structure are known to impact metal and acid loading capacity in many-component LLE organic phases, suggesting phase behavior of practical systems may be effectively studied in simplified organic phases. Overall, the explicit connection between molecular structure, aggregation and phase behavior demonstrated here will enable the design of more efficient separations processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Standoff Detection of Chemical Plumes Using Swept-ECQCL Remote Detection Technology: Results from EMRTC Complex Terrain Dual Tracer Experiment

As part of the Complex Terrain Dual Tracer Experiments performed in support of the LYNM program, a swept-wavelength external cavity quantum cascade laser (swept-ECQCL) remote detection system was deployed to measure chemical plume propagation with high temporal resolution. The swept-ECQCL remote detection technology was initially developed at PNNL, and is now under further development at Opticslah, LLC under SBIR funding from DOE (DOE SBIR Phase I Project DE-SC0019855, Remote Detection Technologies, Program Manager Chris Ramos). The swept-ECQCL technology provides a single-frequency infrared laser source which is rapidly scanned over a large wavelength range to measure the infrared absorption of gases, liquids, or solids. Analysis of the measured infrared absorption spectrum is used to detect, identify, and quantify the chemical species which are present. While most previous laser-based techniques used small wavelength tuning ranges to measure only a few isolated spectral lines of a few species, the swept-ECQCL provides the large tuning range needed to measure multiple species simultaneously, and to detect broad absorption features from large molecules or condensed phase materials. In addition, the swept-ECQCL systems have high enough spectral resolution and sensitivity to measure narrow lines of small molecules and determine isotope ratios. The remote detection system for gas plumes is based on the swept-ECQCL technology, and consists of a swept-ECQCL source, infrared detector, control electronics, and beam transmitting and alignment optics. The remote detection system directs the infrared output of the swept-ECQCL to a target retro reflector typically located at ~10-10,000 m distance. The swept-ECQCL wavelength is varied continuously over a large wavelength range (>1000 nm) at rates up to 1000 Hz. The swept ECQCL light reflected from the remote target is collected and focused onto an infrared photodetector. By measuring the detector signal continuously as the swept-ECQCL wavelength is varied, a time-series of absorption spectra are measured for the gases along the beam line of-sight. Based on analysis and fitting of the measured absorption spectra, the time-dependent chemical concentrations of species are determined. Multiple species and mixtures can be detected simultaneously, for all species with absorption features above the sensor noise floor. The sensor output is thus a continuous, high-speed record of identified chemicals along with their concentrations and isotope ratios of interest. The high-speed operation enables low-noise operation in conditions of atmospheric turbulence and allows tracking of fluctuating concentrations in transient chemical plumes as needed for reliable remote detection applications. All components operate with minimal cooling requirements and no cryogens are needed. In addition, the output infrared light is invisible with an intensity below the maximum permissible exposure (MPE) threshold of 100 mW/cm2 for these infrared wavelengths and thus eye safe. The measurement concept for plume detection using the swept-ECQCL remote detection system is as follows. The ECQCL beam is directed toward a remote retro-reflector, which reflects the beam back to the ECQCL system where it is focused onto an infrared photodetector. The line-of-sight from the ECQCL system to the retro-reflector defines the measurement path. The detected infrared signal is recorded continuously and detects the absorption of molecular species along the measurement path. Before a plume release, the system measures absorption from atmospheric constituents, which in this LWIR band consist primarily of lines from H 2 O and CO 2 , with additional weaker absorption from N 2 O, NH 3 , and O 3 possibly contributing. The system then measures any changes in absorption due to the tracer compounds when they enter the measurement path. The shape of absorption features is used to distinguish and identify the different tracer compounds, and the strength of the absorption is used to determine the path-integrated concentration – also called the column density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Electrical coupling effects on the temporal evolution of F layer plasma structure

A time dependent model of F region structure decay by 'classical' cross field diffusion and electrical coupling along magnetic field lines to the E region is examined. The temporal behavior of the ion concentration fluctuations is determined by the electric field in the coupled system as well as by the initial perturbation spectra and the E region recombination rate. The formation of image structure in the E region ion concentration affects the lifetime of F layer structure in a scale size dependent way. Once an image is formed, the image amplitude and the driving F region structure amplitude decay at the same rate. At large scale sizes of at least lambda(2pi/k), this rate is proportional to k2 and the ratio of the temperatures in each region. At small scale sizes it depends on the E region recombination rate and the temperatures of the two regions but is only very weakly dependent on k. The background E region concentration determines the wave number beyond which the structure amplitude decay rate is almost independent of its scale size.

Heelis, R. A.↗
NASA NTRS1986

Concentration distributions in a model combustor

A hot-wire concentration probe with a spatial resolution of 0.13 mm is used to measure concentration in a model cylindrical combustor. The flow inside the combustor is simulated by injecting a helium jet into a cylindrical confinement with or without swirling air flow present. Mean concentrations are essentially zero outside of the jet region, indicating complete confinement of the scalar field by the swirling flow. Consequently, concentration fluctuations are found to be relatively weak compared to velocity fluctuations, and are maximum off-axis at a point which corresponds to the interface between helium and air flows. However, in the absence of a swirling air flow, the helium diffuses quickly to fill the combustor. The resulting helium concentrations are constant and do not resemble the jet-like behavior of the velocity field.

Ahmed, S. A.↗
DOE OSTI2026

Toluene adsorption and capacity regeneration using zeolite-based monolith and activated carbon fiber felt

Common adsorbents studied to remove volatile organic compounds (VOCs) from indoor air can release previously adsorbed VOCs back into the indoor space when the adsorbent is saturated or if the VOC concentration fluctuates. A durable adsorbent with a continuous regeneration strategy could prevent this recontamination of the indoor air and reduce adsorbent disposal waste. A deeper understanding of the adsorption and desorption behavior of VOC adsorbents is needed to create an efficient regeneration strategy. This study investigated the adsorption and thermal desorption behavior of toluene on two different adsorbents, (1) a zeolite-based adsorbent and (2) an activated carbon fiber (ACF) felt. Consistent adsorption behavior across a series of toluene concentrations was used to experimentally determine effective adsorption capacity. When the cumulative adsorption between thermal regeneration steps was maintained below the maximum effective capacity with 0% breakthrough, the zeolite-based adsorbent was found to effectively minimize passive desorption. The impact of regeneration feed conditions, such as inert, oxidizing, humidified air, on thermal desorption was examined. These conditions influenced desorption of the zeolite-based adsorbent but had minimal impact on the ACF felt adsorbent, which would lead to different regeneration schedules and methods for applications in buildings' heating, ventilation, and air conditioning (HVAC) systems.

Moses-DeBusk, Melanie [Oak Ridge National Laborato↗
DOE OSTI2021

The pervasive impact of critical fluctuations in liquid–liquid extraction organic phases

Liquid-liquid extraction is an essential chemical separation technique where polar solutes are extracted from an aqueous phase into a nonpolar organic solvent by amphiphilic extractant molecules. A fundamental limitation to the efficiency of this important technology is third phase formation, wherein the organic phase splits upon sufficient loading of polar solutes. The nanoscale drivers of phase splitting are challenging to understand in the complex hierarchically structured organic phases. In this study, we demonstrate that the organic phase structure and phase behavior are fundamentally connected in a way than can be understood with critical phenomena theory. For a series of binary mixtures of trialkyl phosphate extractants with linear alkane diluents, we combine small angle x-ray scattering and molecular dynamics simulations to demonstrate how the organic phase mesostructure over a wide range of compositions is dominated by critical concentration fluctuations associated with the critical point of the third phase formation phase transition. These findings reconcile many longstanding inconsistencies in the literature where small angle scattering features, also consistent with such critical fluctuations, were interpreted as reverse micellar-like particles. Altogether, this study shows how the organic phase mesostructure and phase behavior are intrinsically linked, deepening our understanding of both and providing a new framework for using molecular structure and thermodynamic variables to control mesostructure and phase behavior in liquid-liquid extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Evolution of {delta}ferrite in a CF3 cast stainless steel upon neutron irradiation to 3, 5, 10, 20, and 40 dpa

The microstructural evolution of delta ferrite in a CF3 cast stainless steel irradiated to 3, 5, 10, 20, and 40 dpa with two dose rates was studied with atom probe tomography (APT) and transmission electron mi-croscopy. Spinodal decomposition and G-phase precipitates induced by neutron irradiation and thermal aging were quantified systematically. The neutron irradiation significantly enhances the spinodal decom-position in delta ferrite as both the spinodal wavelength (i.e. a characteristic repeat distance) and am-plitude (i.e. magnitude of elemental concentration fluctuation) increase after irradiation. The wavelength only varies slightly when the dose increases from 5 to 40 dpa, while the amplitude increases dramatically from 10 to 20 dpa and starts to saturate before 20 dpa. The dose rate and irradiation temperature also have a notable effect on the spinodal wavelength and amplitude. The study shows that higher dose rate promotes a larger wavelength at given irradiation doses. Regarding the G-phase precipitates, a slightly lower irradiation temperature would result in a smaller mean size of G-phase precipitates, while a lower irradiation dose rate would lead to a larger G-phase precipitates at a given temperature and dose. Over-all, the spinodal decomposition and G-phase precipitates in the delta ferrite continue to evolve with the increasing dose beyond 10 dpa. This study confirms that the formation of G-phase precipitates at the in-terdomain region between alpha and alpha-prime is facilitated by the Si and Mo atoms rejected from Fe rich alpha phase and the Ni and Mn atoms rejected from Cr rich alpha-prime phase. Neutron irradiation plays a dominant role in the ferrite instability, and the effect of prior thermal aging at 400 degrees C for 10,000 hours is negligible as the dose is 3 dpa and above.

duplex stainless steel↗