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DOE OSTI2023

A single-point modeling approach for the intercomparison and evaluation of ozone dry deposition across chemical transport models (Activity 2 of AQMEII4)

A primary sink of air pollutants and their precursors is dry deposition. Dry deposition estimates differ across chemical transport models, yet an understanding of the model spread is incomplete. Here, we introduce Activity 2 of the Air Quality Model Evaluation International Initiative Phase 4 (AQMEII4). We examine 18 dry deposition schemes from regional and global chemical transport models as well as standalone models used for impact assessments or process understanding. We configure the schemes as single-point models at eight Northern Hemisphere locations with observed ozone fluxes. Single-point models are driven by a common set of site-specific meteorological and environmental conditions. Five of eight sites have at least 3 years and up to 12 years of ozone fluxes. The interquartile range across models in multiyear mean ozone deposition velocities ranges from a factor of 1.2 to 1.9 annually across sites and tends to be highest during winter compared with summer. No model is within 50 % of observed multiyear averages across all sites and seasons, but some models perform well for some sites and seasons. For the first time, we demonstrate how contributions from depositional pathways vary across models. Models can disagree with respect to relative contributions from the pathways, even when they predict similar deposition velocities, or agree with respect to the relative contributions but predict different deposition velocities. Both stomatal and nonstomatal uptake contribute to the large model spread across sites. Our findings are the beginning of results from AQMEII4 Activity 2, which brings scientists who model air quality and dry deposition together with scientists who measure ozone fluxes to evaluate and improve dry deposition schemes in the chemical transport models used for research, planning, and regulatory purposes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2023

A Single-Point Modeling Approach for the Intercomparison and Evaluation of Ozone Dry Deposition Across Chemical Transport Models (Activity 2 of AQMEII4)

Dry deposition↗

NASA NTRS2000

Theory and Experiment of Multielement Airfoils: A Comparison

A detailed comparison of computed and measured pressure distributions, velocity profiles, transition onset, and Reynolds shear stresses for multi-element airfoils is presented. It is shown that the transitional k-zeta model, which is implemented into CFL3D, does a good job of predicting pressure distributions, transition onset, and velocity profiles with the exception of velocities in the slat wake region. Considering the fact that the hot wire used was not fine enough to resolve Reynolds stresses in the boundary layer, comparisons of turbulence stresses varied from good to fair. It is suggested that the effects of unsteadiness be thoroughly evaluated before more complicated transition/turbulence models are used. Further, it is concluded that the present work presents a viable and economical method for calculating laminar/transitional/turbuient flows over complex shapes without user interface.

Czerwiec, Ryan↗

NASA NTRS1997

Numerical modeling of HgCdTe solidification: Effects of phase diagram, double-diffusion convection and microgravity level

A numerical model of HgCdTe solidification was implemented using finite the element code FIDAP. Model verification was done using both experimental data and numerical test problems. The model was used to evaluate possible effects of double-diffusion convection in molten material, and microgravity level on concentration distribution in the solidified HgCdTe. Particular attention was paid to incorporation of HgCdTe phase diagram. It was found, that below a critical microgravity amplitude, the maximum convective velocity in the melt appears virtually independent on the microgravity vector orientation. Good agreement between predicted interface shape and an interface obtained experimentally by quenching was achieved. The results of numerical modeling are presented in the form of video film.

Bune, Andris V.↗

NASA NTRS2019

Considerations for Femtosecond Laser Electronic Excitation Tagging in High-Speed Flows

Femtosecond laser electronic excitation tagging (FLEET) is an unseeded method for molecular tagging which offers valuable opportunities for measurement of high-speed (transonic, supersonic or hypersonic) flows. The unique nature of high-speed testing demands certain performance from FLEET such as satisfactory signal-to-noise ratio (SNR) at depressed static conditions (i.e., low temperatures, pressures and densities), wide dynamic range for velocity determination (especially single-shot), and measurements with acceptable accuracy and precision. This dissertation strives to evaluate FLEET in those regards and provide strategies to maximize the method's capabilities. A zero-dimensional kinetics model in nitrogen explains FLEET signal changes with pressure/density and/or temperature in terms of plasma-chemical reactions. Poorly known rate coefficients are tuned by comparing model output to measurements, with temporal agreement up to several hundred nanoseconds. Modeling reveals that initial signal peaks at reduced density because of slowed temporal evolution (and decay) of excited populations. Low temperatures enhance signal by enlarging cluster ion populations which contribute to excited species via electron-ion dissociative recombination. A purpose-built free jet facility provides experimental validation of the kinetics model and assesses FLEET velocimetry in low temperature and pressure/density conditions. Signal, lifetime, accuracy and precision results are obtained from unheated subsonic through Mach 4.0 operation of the facility, with best results noted. FLEET measurements of a sweeping jet (SWJ) actuator in compressible operation showcase its advantages in a highly unsteady jet containing subsonic through supersonic velocities. FLEET velocimetry is performed in the device's internal and external flow fields, with the latter compared to hot-wire anemometry. Internal measurements reveal the absence of shockwaves theorized to occur at high pressure ratios. Simultaneous qualitative measurements of compressible jet mixing are shown as a proof-of-concept. Overall, the work demonstrates that previous understanding of SWJ incompressible operation readily extends into the compressible realm. Practical aspects of performing FLEET velocimetry are detailed, along with strategies for improving measurement quality. Determination of a fundamental precision in nitrogen and air is attempted. Experiments show that increasing time delay and/or SNR improves velocimetry precision. A comparison of five camera systems indicates sensors with larger pixels capture higher SNR data and produce more precise results.

FLEET↗

NASA NTRS1985

The range of validity of the two-body approximation in models of terrestrial planet accumulation. II - Gravitational cross sections and runaway accretion

The validity of the two-body approximation in calculating encounters between planetesimals has been evaluated as a function of the ratio of unperturbed planetesimal velocity (with respect to a circular orbit) to mutual escape velocity when their surfaces are in contact (V/V-sub-e). Impact rates as a function of this ratio are calculated to within about 20 percent by numerical integration of the equations of motion. It is found that when the ratio is greater than 0.4 the two-body approximation is a good one. Consequences of reducing the ratio to less than 0.02 are examined. Factors leading to an optimal size for growth of planetesimals from a swarm of given eccentricity and placing a limit on the extent of runaway accretion are derived.

Wetherill, G. W.↗

NASA NTRS2006

Material Interactions with Solar Wind Ion Environments

Solar wind composition is dominated by hydrogen (approx.96%) and helium (approx.3 to 4%) with a minor fraction (less than or equal to 1%) of heavy ions. Hydrogen (helium) ions impact spacecraft surfaces with energies from 0.5 to 5 keV (1.8 to 21 keV) due to variations in solar wind velocity from 300 km/s to 1000 km/sec with extremes of a few 10 s keV during periods of extremely high solar wind velocity exceeding 1000 km/sec. Mean impact energies are typically on the order of approximately 1 keV and 4 keV for hydrogen ions and helium ions, respectively. These energies are typically of the peak of the energy dependent light ion sputter yields for hydrogen and helium on many metals. In addition, light ions with kilovolt energies have been shown to produce blister (or exfoliation) damage to metal surfaces due to formation of high pressure gas bubbles within the materials when exposed to ion fluences on the order of 10(exp 16 to (10(exp 17 ions/sq cm. A number of spacecraft designs for current and future missions include gossamer polymer structures with thin metallic reflection coatings to shield instruments from the Sun or solar sail propulsion systems for use in a variety of locations in the inner solar system from 0.5 to 1 AU. In addition, there is interest in designing spacecraft for solar physics missions requiring operations as close to the Sun as 0.16 to 0.2 AU. Integrity of the metallic coatings is critical in many of these applications since degradation will result in modification of material thermal properties or exposure of polymers to solar UV photons which can compromise mission requirements. This paper will evaluate the relative contributions of sputtering and blister formation to material degradation in solar wind environments over a range of radial distances from the Sun to demonstrate where solar wind environments become important for materials selection. We will first review the physics and results from laboratory measurements of light ion sputtering, blistering, and exfoliation of metallic surfaces to establish the order of magnitude ion fluence required for significant surface damage. Solar wind ion fluence environments will then be evaluated due to variations in solar wind conditions as a function of solar cycle for varying distances from the Sun using models for radial variations in solar wind ion number density, temperature, and velocity to determine where sputtering and blistering is most likely to be an issue. Finally, ion fluence statistics for varying radial distances from the Sun will be shown to establish the mission duration and radial distances from the Sun where missions will encounter sufficient ion fluence to exhibit damage to metallic surfaces.

Minow, Joseph I.↗

DOE OSTI2026

A multiscale packed-bed reactor model for sustainable ethylene production via chemical looping oxidative coupling of methane

The rising global warming concerns and shale gas discovery have prompted research in the direction of greenhouse gas (GHG), such as methane, reduction and conversion. Oxidative coupling of methane (OCM) offers a pathway to low carbon-intense valorization of methane while producing ethylene, a chemical regarded as central to the petrochemical industry. Even after decades of OCM discovery, researchers keep understanding the process and underlying chemical reactions in a pursuit to achieve industrial viability for OCM. Here, in general, OCM suffers from low C 2 selectivity, yield and reactor temperature runaways due to highly exothermic nature of its reactions. Computational Fluid Dynamics (CFD) tools help analyze spatial gradients within the reactor to deeply understand the diffusion of species, mass and heat transfer phenomena. Furthermore, challenges associated with scaling up such as hot spot formation and parametric sensitivity can be addressed without having to expend on costly experiments. The current paper presents a multiscale packed-bed reactor CFD model coupled with a chemical kinetic model for the chemical looping OCM. The CFD model includes two scales i.e., macroscale for catalyst bed and microscale for individual pellets. Moreover, a chemical kinetic model based on 10 gas-phase reactions is integrated with the CFD model. An additional surface reaction for the formation of gas-phase oxygen from catalyst surface is added to account for the absence of feed oxygen. The model is calibrated against experimental results. The calibrated model captures trends in CH 4 conversion, C 2 selectivity and C 2 yield within a ± 4.35 % range across a temperature range of 700-900 °C. Moreover, model fidelity is evaluated by varying key computational parameters such as mesh resolution and time step size. The model is also verified by varying the inlet methane concentration and the gas hourly space velocity (GHSV) and comparing the results with literature. A sensitivity analysis and scale-up of the current model is undergoing.

Chemical looping↗

DOE OSTI2022

Finite Element Modeling of Diffusion in Fractured Porous Media by Using Hierarchical Material Properties

Abstract Fractured porous media challenge modeling approaches due to high computational costs and excessive mesh refinement imposed by the extreme scale variability of fractures and the heterogeneity of the surrounding porous rock. To overcome such difficulties, we utilize the hierarchical finite element method ( Hi ‐FEM) that has been developed previously to simulate the electrical potential distribution in complex geologic environments. The method employs the hierarchical basis functions in classical finite element analysis to enable representation of material properties on each dimensional component of a given 3D unstructured finite element, thereby inherently allowing for interactions at the boundary between fracture and a host rock. In this study, we extend its application to transient fluid flow and heat conduction in the Laplace domain. Time‐domain flow solutions are obtained by numerical inverse Laplace transform. We evaluate the accuracy of the method using different flow models and demonstrate its robustness for large‐scale, rock mass models featuring complex fracture networks. Moreover, for the computation of nodal Darcian velocity fields in fractured porous media where the fractures are represented as 2D features, a new approach that employs the Yeh's Galerkin model for both volume and facet elements is proposed. Results show that Hi ‐FEM can produce accurate flow solutions for fractured porous media without any need of coupling or transfer mechanism while still being computationally economical and numerically robust, even for large‐scale simulations.

Beskardes, G. D.↗

DOE OSTI2020

Wind farm blockage effects: comparison of different engineering models

The work presents four engineering methods to estimate the induction zone in front of a wind turbine and account for the wind farm blockage effect. The methods comprise the vortex cylinder model, vortex dipole model, self-similar model, and wake projection model. The majority of the models presented account for yaw misalignments and ground effect. Actuator disk simulations are used to verify the individual models. The performance of each model is evaluated both in terms of precision and computational time. The induction models are coupled to wake models within the FLOw Redirection and Induction in Steady State framework to provide the full velocity field within a wind farm. Sample wind farm computations are presented, and the impact of including induction effects into wind farm performance predictions is reported. The different codes are publicly available online.

17 WIND ENERGY↗

DOE OSTI2020

Implications of Non-Bingham Rheology

One of the key challenges now facing the US Department of Energy (DOE) is the fate of radioactive waste remaining from World War II and the Cold War which is stored underground in tanks some 75 feet in diameter and over 30 feet tall. Over time, the waste has segmented into multiple layers with sludges and slurries at the bottom with salt crust layers often at the top and liquid in between. DOE’s current official baseline plans call for remaining sludges and slurries to be removed from the tanks and converted into a more stable glass waste form. Minimizing worker exposure to radiation drives DOE to use slurry processing techniques to suspend, mobilize, transport, mix, and process the waste. Therefore, a clear and quantitative understanding of Hanford waste rheology is essential for the success of the DOE mission. Historically much of the waste has been characterized using Eugene Bingham’s model more than a century old that provides a straight line fit to higher shear rate data with the intercept suggesting a yield stress and the slope providing the consistency. Yet, Bingham fits overestimate the shear stress at a given shear rate for low to intermediate shear rates, exactly the range of shear rates typically encountered in pipe flow, where shear rates peak along the pipe wall and vanish in the center. This model produces a fictitious yield stress for some of the wastes that do not exhibit yield phenomena. While over estimating the yield stress may be prudent, safe, and conservative for some applications (e.g., pump sizing to ensure that pumps can handle yield stresses), over estimating the rheology may be inaccurate and non-conservative for other applications (e.g., eroding settled particle beds). Therefore, this paper evaluates the slurry rheology of Hanford and Savannah River wastes using a more modern rheological model that fits the full range of experimental data. Although a bias has been recognized and alternative models proposed, the magnitude of this bias and the implications for tank waste have only been qualitatively suggested. The purpose of this paper is to evaluate quantitatively implications of the poor quality of fit between a Bingham model for rheology and experimental data at modest shear rates. We first demonstrate the magnitude of the bias between the data and the Bingham extrapolation. We then evaluate quantitatively the velocity profile under laminar conditions. This analysis shows that the bias may be large (hundreds of percent or more) at modest shear rates and that modest shear rates dominate pipe velocity profiles.

Rheology, Radioactive waste↗

NASA NTRS1972

Redundancy management of multiple inertial systems for Space Shuttle.

Failure detection and isolation techniques are developed for application to off-the-shelf type four-gimbaled inertial measurement units such as the KT-70 or Carousel IV. By using simulated boost and entry shuttle trajectories with specific gimbaled IMU models, failure detection thresholds are developed based upon red-line life dependent requirements and warning thresholds are given within the red-line thresholds based upon expected worst case IMU performance. Using these trajectories, established trajectory thresholds, and multiple IMU models, various failure detection and isolation techniques are evaluated for application in both powered and unpowered flight phases. The adequacy of off-the-shelf systems for both attitude and velocity detection methods is evaluated and recommendations for shuttle application are made.

Dove, D. W.↗

NASA NTRS1980

Evaluation of a locally homogeneous flow model of spray combustion

A simplified model of spray combustion was evaluated. The model was compared with measurements in both a gaseous propane flame and an air atomized n-pentane spray flame (35 micron Sauter mean diameter). Profiles of mean velocity, temperature, and species concentrations, as well as velocity fluctuations and Reynolds stress, were measured. The predictions for the gas flame were in excellent agreement with measurements, except for product species concentrations where errors due to finite reaction rates were detected. Predictions within the spray were qualitatively correct, but the model overestimated the rate of development of the flow; e.g., predicted flame lengths were 30% shorter than measured. Calibrated drop-life-history calculations showed that finite interphase transport rates caused the discrepancy and that initial drop diameters less than 20 microns would be required for quantitative accuracy of the model.

Mao, C.-P.↗

NASA NTRS1985

Method for the prediction of the installation aerodynamics of a propfan at subsonic speeds

A subsonic flow panel code has been modified to handle the effects of a propeller wake. The effects of the propeller were modelled by a system of ring vortices of constant strength. Principles based on the blade element theory, the vortex theory and the momentum theory were used to evaluate the axial velocity increase, the swirl velocity and the pressure increase across the propeller. Theoretical calculations are compared to experimental results at Mach numbers up to 0.70 over a range of angles of attack. The discrepancies between the theory and the experimental results are analyzed. Suggestions for improvements to enhance the accuracy of the theoretical prediction are indicated.

Chandrasekaran, B.↗

NASA NTRS1987

Air broadening of the hydrogen halides. I - N2-broadening and shifting in the HCl fundamental

The resolvent operator formalism of Kolb, Griem (1964), and Baranger (1962) is used to determine the widths and shifts of the fundamental band vibration-rotation lines of HCl under N2 pressure. Time-development operator matrix elements are evaluated accounting for all bilinear and second order anisotropic terms, in addition to isotropic effects to all orders. The method employs the use of a parabolic trajectory model and explicit velocity averaging. The major contributions to the linewidths are found to arise from dipole-quadrupole, quadrupole-quadrupole, and vibrationally dependent isotropic dispersion forces. Good overall agreement is found between calculated and measured widths and linewidths over a 163-295 K temperature range.

Looney, J. P.↗

NASA NTRS1999

Atomic-Based-Combined-Cycle Analysis

Atomic-based-combined-cycle (ABCC) engine combines an air-breathing ramjet engine with an atomic reactor to increase the mission-averaged specific impulse and thereby increasing the dry-mass ratio. ABCC engine is similar to RBCC engine except that energy needed for the propulsive power is derived from nuclear reaction rather than chemical combustion used in the RBCC engine. The potential performance improvement of an ABCC engine over a RBCC engine comes from two factors. Firstly, the energy density of nuclear reaction is several order of magnitudes higher than the chemical combustion. Secondly, hydrogen can produce much higher nozzle exit velocity because of its small molecular weight. A one-dimensional, transient numerical model was used to analyze a generic RBCC engine and it is used as a baseline to evaluate an imaginary ABCC engine performance. A nuclear reactor is treated as a black box energy source that replaces the role of the primary rocket and the chemical combustion chamber in a RBCC engine. The performance of a generic ABCC engine along a flight path (q0 =10 (exp 3) lbf per square ft) shows that the mission averaged-specific impulse is about twice larger than RBCC engine and the dry mass-ratio is about 50% larger. Results of the present ABCC engine performance are based on the assumptions that the flow passage of working fluids is identical to that of RBCC engine and that a nuclear reactor is treated as an energy black box. Preliminary heat transfer calculation shows that the rate of heat transfer to the working fluids is within the limit of turbulent convective heat transfer regimes. The flow passage of realistic ABCC engine must be known for a better prediction of ABCC engine performance. Also, critical heat transfer calculations must be performed for the ejector mode and ramjet mode operations. This is possible only when the details of a reactor configuration are available.

Han, Samuel S.↗

NASA NTRS1999

Flight Test Results: CTAS Cruise/Descent Trajectory Prediction Accuracy for En route ATC Advisories

The Center/TRACON Automation System (CTAS), under development at NASA Ames Research Center, is designed to assist controllers with the management and control of air traffic transitioning to/from congested airspace. This paper focuses on the transition from the en route environment, to high-density terminal airspace, under a time-based arrival-metering constraint. Two flight tests were conducted at the Denver Air Route Traffic Control Center (ARTCC) to study trajectory-prediction accuracy, the key to accurate Decision Support Tool advisories such as conflict detection/resolution and fuel-efficient metering conformance. In collaboration with NASA Langley Research Center, these test were part of an overall effort to research systems and procedures for the integration of CTAS and flight management systems (FMS). The Langley Transport Systems Research Vehicle Boeing 737 airplane flew a combined total of 58 cruise-arrival trajectory runs while following CTAS clearance advisories. Actual trajectories of the airplane were compared to CTAS and FMS predictions to measure trajectory-prediction accuracy and identify the primary sources of error for both. The research airplane was used to evaluate several levels of cockpit automation ranging from conventional avionics to a performance-based vertical navigation (VNAV) FMS. Trajectory prediction accuracy was analyzed with respect to both ARTCC radar tracking and GPS-based aircraft measurements. This paper presents detailed results describing the trajectory accuracy and error sources. Although differences were found in both accuracy and error sources, CTAS accuracy was comparable to the FMS in terms of both meter-fix arrival-time performance (in support of metering) and 4D-trajectory prediction (key to conflict prediction). Overall arrival time errors (mean plus standard deviation) were measured to be approximately 24 seconds during the first flight test (23 runs) and 15 seconds during the second flight test (25 runs). The major source of error during these tests was found to be the predicted winds aloft used by CTAS. Position and velocity estimates of the airplane provided to CTAS by the ATC Host radar tracker were found to be a relatively insignificant error source for the trajectory conditions evaluated. Airplane performance modeling errors within CTAS were found to not significantly affect arrival time errors when the constrained descent procedures were used. The most significant effect related to the flight guidance was observed to be the cross-track and turn-overshoot errors associated with conventional VOR guidance. Lateral navigation (LNAV) guidance significantly reduced both the cross-track and turn-overshoot error. Pilot procedures and VNAV guidance were found to significantly reduce the vertical profile errors associated with atmospheric and aircraft performance model errors.

Green, S.↗

NASA NTRS1989

The effects of Reynolds number, rotor incidence angle, and surface roughness on the heat transfer distribution in a large-scale turbine rotor passage

A combined experimental and computational program was conducted to examine the heat transfer distribution in a turbine rotor passage geometrically similiar to the Space Shuttle Main Engine (SSME) High Pressure Fuel Turbopump (HPFTP). Heat transfer was measured and computed for both the full-span suction and pressure surfaces of the rotor airfoil as well as for the hub endwall surface. The primary objective of the program was to provide a benchmark-quality data base for the assessment of rotor passage heat transfer computational procedures. The experimental portion of the study was conducted in a large-scale, ambient temperature, rotating turbine model. Heat transfer data were obtained using thermocouple and liquid-crystal techniques to measure temperature distributions on the thin, electrically-heated skin of the rotor passage model. Test data were obtained for various combinations of Reynolds number, rotor incidence angle and model surface roughness. The data are reported in the form of contour maps of Stanton number. These heat distribution maps revealed numerous local effects produced by the three-dimensional flows within the rotor passage. Of particular importance were regions of local enhancement produced on the airfoil suction surface by the main-passage and tip-leakage vortices and on the hub endwall by the leading-edge horseshoe vortex system. The computational portion consisted of the application of a well-posed parabolized Navier-Stokes analysis to the calculation of the three-dimensional viscous flow through ducts simulating the a gas turbine passage. These cases include a 90 deg turning duct, a gas turbine cascade simulating a stator passage, and a gas turbine rotor passage including Coriolis forces. The calculated results were evaluated using experimental data of the three-dimensional velocity fields, wall static pressures, and wall heat transfer on the suction surface of the turbine airfoil and on the end wall. Particular attention was paid to an accurate modeling of the passage vortex and to the development of the wall boundary layers including crossflow.

Blair, Michael F.↗