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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 NTRS2000

A Collaborative Analysis Tool for Integrated Hypersonic Aerodynamics, Thermal Protection Systems, and RBCC Engine Performance for Single Stage to Orbit Vehicles

Presented is a computer-based tool that connects several disciplines that are needed in the complex and integrated design of high performance reusable single stage to orbit (SSTO) vehicles. Every system is linked to every other system, as is the case of SSTO vehicles with air breathing propulsion, which is currently being studied by NASA. An RBCC propulsion system integrates airbreathing and rocket propulsion into a single engine assembly enclosed within a cowl or duct. A typical RBCC propulsion system operates as a ducted rocket up to approximately Mach 3. Then there is a transition to a ramjet mode for supersonic-to-hypersonic acceleration. Around Mach 8 the engine transitions to a scramjet mode. During the ramjet and scramjet modes, the integral rockets operate as fuel injectors. Around Mach 10-12 (the actual value depends on vehicle and mission requirements), the inlet is physically closed and the engine transitions to an integral rocket mode for orbit insertion. A common feature of RBCC propelled vehicles is the high degree of integration between the propulsion system and airframe. At high speeds the vehicle forebody is fundamentally part of the engine inlet, providing a compression surface for air flowing into the engine. The compressed air is mixed with fuel and burned. The combusted mixture must be expanded to an area larger than the incoming stream to provide thrust. Since a conventional nozzle would be too large, the entire lower after body of the vehicle is used as an expansion surface. Because of the high external temperatures seen during atmospheric flight, the design of an airbreathing SSTO vehicle requires delicate tradeoffs between engine design, vehicle shape, and thermal protection system (TPS) sizing in order to produce an optimum system in terms of weight (and cost) and maximum performance. To adequately determine the performance of the engine/vehicle, the Hypersonic Flight Inlet Model (HYFIM) module was designed to interface with the RBCC engine model. HYFIM performs the aerodynamic analysis of forebodies and inlet characteristics of RBCC powered SSTO launch vehicles. HYFIM is applicable to the analysis of the ramjet/scramjet engine operations modes (Mach 3-12), and provides estimates of parameters such as air capture area, shock-on-lip Mach number, design Mach number, compression ratio, etc., based on a basic geometry routine for modeling axisymmetric cones, 2-D wedge geometries. HYFIM also estimates the variation of shock layer properties normal to the forebody surface. The thermal protection system (TPS) is directly linked to determination of the vehicle moldline and the shaping of the trajectory. Thermal protection systems to maintain the structural integrity of the vehicle must be able to mitigate the heat transfer to the structure and be lightweight. Herein lies the interdependency, in that as the vehicle's speed increases, the TPS requirements are increased. And as TPS masses increase the effect on the propulsion system and all other systems is compounded. The need to analyze vehicle forebody and engine inlet is critical to be able to design the RBCC vehicle. To adequately determine insulation masses for an RBCC vehicle, the hypersonic aerodynamic environment and aeroheating loads must be calculated and the TPS thicknesses must be calculated for the entire vehicle. To accomplish this an ascent or reentry trajectory is obtained using the computer code Program to Optimize Simulated Trajectories (POST). The trajectory is then used to calculate the convective heat rates on several locations on the vehicles using the Miniature Version of the JA70 Aerodynamic Heating Computer Program (MINIVER). Once the heat rates are defined for each body point on the vehicle, then insulation thicknesses that are required to maintain the vehicle within structural limits are calculated using Systems Improved Numerical Differencing Analyzer (SINDA) models. If the TPS masses are too heavy for the performance of the vehicle the process may be repeated altering the trajectory or some other input to reduce the TPS mass. E-PSURBCC is an "engine performance" model and requires the specification of inlet air static temperature and pressure as well as Mach number (which it pulls from the HYFIM and POST trajectory files), and calculates the corresponding stagnation properties. The engine air flow path geometry includes inlet, a constant area section where the rocket is positioned, a subsonic diffuser, a constant area afterburner, and either a converging nozzle or a converging-diverging nozzle. The current capabilities of E-PSURBCC ejector and ramjet mode treatment indicated that various complex flow phenomena including multiple choking and internal shocks can occur for combinations of geometry/flow conditions. For a given input deck defining geometry/flow conditions, the program first goes through a series of checks to establish whether the input parameters are sound in terms of a solution path. If the vehicle/engine performance fails mission goals, the engineer is able to collaboratively alter the vehicle moldline to change aerodynamics, or trajectory, or some other input to achieve orbit. The problem described is an example of the need for collaborative design and analysis. RECIPE is a cross-platform application capable of hosting a number of engineers and designers across the Internet for distributed and collaborative engineering environments. Such integrated system design environments allow for collaborative team design analysis for performing individual or reduced team studies. To facilitate the larger number of potential runs that may need to be made, RECIPE connects the computer codes that calculate the trajectory data, aerodynamic data based on vehicle geometry, heat rate data, TPS masses, and vehicle and engine performance, so that the output from each tool is easily transferred to the model input files that need it.

Stanley, Thomas Troy↗
DOE OSTI2017

Crystallization and Thermoelectric Transport in Semiconductor Micro- and Nanostructures Under Extreme Conditions

This project focused on thermoelectric transport in semiconductor micro and nanostructures where moderate and typical operating voltages and currents lead to extreme thermal gradients and current densities. Models that describe behavior of semiconducting materials typically assume an equilibrium condition or slight deviations from it. In these cases the generation-recombination processes are assumed to have reached a local equilibrium for a given temperature. Hence, free carrier concentrations and their mobilities, band-gap, thermal conductivity, thermoelectric properties, mobility of atoms and mechanical properties of the material, can be described as a function of temperature. In the case of PN junctions under electrical bias, carrier concentrations can change up to ~ 1020 cm-3 and a drift-diffusion approximation is typically used to obtain the carrier concentrations while assuming that the material properties do not change. In non-equilibrium conditions, the assumption that the material properties remain the same may not be valid. While the increased conduction-band electron concentration may not have a drastic effect on the material, large hole concentration is expected to soften the material as ‘a hole’ comes into existence as a broken bond in the lattice. As the hole density approaches 1022 cm-3, the number of bonds holding the lattice together is significantly reduced, making it easier to break additional bonds, reduce band-gap and inhibit phonon transport. As these holes move away from where they were generated, local properties are expected to deviate significantly from the equilibrium case. Hence, temperature alone is not sufficient to describe the behavior of the material. The behavior of the solid material close to a molten region (liquid-solid interfaces) is also expected to deviate from the equilibrium case as a function of hole injection rate, which can be drastically increased or decreased in the presence of an electric field. In the past years we have investigated the possible thermoelectric explanation of asymmetric melting of self-heated Si micro-structures using equilibrium materials’ properties that exist in the literature. We have analyzed the contribution of the electrons and the holes and identified the generation-transport-recombination of minority carriers (GTR) as the reason for an extreme change in the thermal profile in presence of strong generation and electric field. A more complete analysis required construction of models that capture the individual generation and recombination processes to understand the thermal profile as well as the possibility of electronic softening and non-equilibrium melting of the structure below melting temperature. The possibility of melting a material at a lower temperature breaks the correlation between the atomic mobility and the kinetic energy in the system for a given temperature and may allow alternative growth processes. This may also be the mechanism behind ‘amorphization-without-melting in layered structures heated with laser pulses’ that has been reported earlier. The conventional models for semiconductors are constructed for low temperature operation and their projections to higher temperatures do not yield reasonable carrier concentrations. Using these models, the free hole concentrations are calculated to be on the order of 1019 cm-3 at melting, which also do not correlate well with the latent heat of fusion. The melt is expected to correspond to broken bond concentrations on the order of the atomic density (~5x1022 cm-3 for Silicon). Hence, using conventional models the thermoelectric contribution expected from the GTR process is estimated to be much smaller than it likely is. Our work focused on improving the computational models and electrical characterization of materials and devices to better understand thermoelectric trabsport under extremen thermal gradients and current densities. Specifically, during this project, we have - Expanded our computational models to include self-consistent solution of Poisson charge equation (together with current and heat equations currently solved) for improved accuracy of role of bipolar conduction, - Developed a crystallization model incorporating experimentally determined nucleation rates and growth velocities to enable simulation of grain growth, growth-from-melt, filament formation and retention, - Performed high-temperature characterization of relevant materials (including metal contacts, interfacial and insulation layers); electrical and thermal conductivities, Seebeck coefficient, carrier mobility and concentration, - Performed High-speed device-level characterization of metastable amorphous and crystalline phases, crystallization and amorphization dynamics, melting and crystalline growth-from-melt, - Observed and characterized formation of microplasmas in electrically stressed ZnO nanoforests.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Distributed Generation Market Demand (dGen) model

The Distributed Generation Market Demand (dGen) model simulates customer adoption of distributed energy resources (DERs) for residential, commercial, and industrial entities in the United States or other countries through 2050. The dGen model can be used for identifying the sectors, locations, and customers for whom adopting DERs would have a high economic value, for generating forecasts as an input to estimate distribution hosting capacity analysis, integrated resource planning, and load forecasting, and for understanding the economic or policy conditions in which DER adoption becomes viable, and for illustrating sensitivity to market and policy changes such as retail electricity rate structures, net energy metering, and technology costs.

Array↗
DOE OSTI2017

Submarine landslides triggered by destabilization of high-saturation hydrate anomalies: LANDSLIDES CAUSED BY HYDRATE ANOMALIES

Submarine landslides occur along continental margins at depths that often intersect the gas hydrate stability zone, prompting suggestions that slope stability may be affected by perturbations that arise from changes in hydrate stability. Here we develop a numerical model to identify the conditions under which the destabilization of hydrates results in slope failure. Specifically, we focus on high-saturation hydrate anomalies at fine-grained to coarse-grained stratigraphic boundaries that can transmit bridging stresses that decrease the effective stress at sediment contacts and disrupt normal sediment consolidation. We evaluate slope stability before and after hydrate destabilization. Hydrate anomalies act to significantly increase the overall slope stability due to large increases in effective cohesion. However, when hydrate anomalies destabilize there is a loss of cohesion and increase in effective stress that causes the sediment grains to rapidly consolidate and generate pore pressures that can either trigger immediate slope failure or weaken the surrounding sediment until the pore pressure diffuses away. In cases where failure does not occur, the sediment can remain weakened for months. In cases where failure does occur, we quantify landslide dynamics using a rate and state frictional model and find that landslides can display either slow or dynamic (i.e., catastrophic) motion depending on the rate-dependent properties, size of the stress perturbation, and the size of the slip patch relative to a critical nucleation length scale. Our results illustrate the fundamental mechanisms through which the destabilization of gas hydrates can pose a significant geohazard.

58 GEOSCIENCES↗
DOE OSTI2025

Material properties of aqueous potassium acetate solutions for use in liquid desiccant air conditioning

We present thermophysical properties of aqueous potassium acetate solutions relevant to their application as a liquid desiccant in air-conditioning systems. Liquid desiccant air conditioners could provide up to 80% energy savings compared to high-efficiency vapor compression air conditioners. However, the commonly used liquid desiccants, particularly chloride salt solutions, are highly corrosive. This precludes the use of metallic components, necessitating specialized plastics and thereby driving up cost, weight, and limiting operational temperature and pressure ranges. Potassium acetate has been identified as a less corrosive alternative, potentially enabling broader material compatibility in LDAC components. In this study we systematically measured and modelled key thermophysical properties of KAc solutions density, vapor pressure, viscosity, specific heat capacity, phase behavior, and diffusion coefficient across a range of concentrations (10 - 70wt%) and temperatures. For instance, KAc exhibits a vapor pressure of 3.1 kPa at 50wt% and 40degrees C, demonstrating dehumidification capability comparable to chloride salts. By providing an extended dataset and associated models, this work advances the understanding needed to design energy-efficient, corrosion mitigating LDAC system.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Statistical Learning for Nonlinear Model Reduction from Local Simulations of Stochastic and Particle- and Agent-Based Systems

Stochastic physical systems across the sciences that have very high-dimensional state spaces, with a large number of fast degrees of freedom that force direct simulators to proceed by integration steps that are orders of magnitude smaller than events of interests (e.g., particle collisions). Examples range from molecular motion to dynamics of large populations of cells. A grand challenge in the simulation and understanding of such systems is the systematic construction of accurate, interpretable, reduced models, enabling faster simulations, revealing fundamental properties of the dynamics, and predicting phenomena of interest that the original simulator could not reached with sufficient accuracy or within a given computational budget. In this projected we developed novel statistical estimation/machine learning techniques for analyzing and building empirical reduced models for important families of high-dimensional stochastic systems, in particular: - we developed techniques for estimating interaction kernels in interacting particle- and agent-based systems, which are ubiquitous in Physics, Biology and many other sciences, given observed trajectories of the system; - we developed techniques for nonlinear model reduction for high-dimensional stochastic systems that have a small number of unknown, nonlinear slow variables, and a large number of fast modes, that are possibly of large magnitude, given observed short trajectories of the system in the form of bursts of trajectories from different initial conditions; - we developed novel techniques for estimating linear dynamical systems on graphs when both the dynamics and the underlying graph are unknown, and we have a sparse set of space-time observations; - we considered the problem of estimating an unknown nonlinear observation function of a standard process (e.g. Brownian motion), so that we can recognized if an observed dynamics is "just" a nonlinear version of a known dynamics; we also developed benchmarks for learning algorithms aimed at learning and classifying diffusion processes.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1982

A frost formation model and its validation under various experimental conditions

A numerical model that was used to calculate the frost properties for all regimes of frost growth is described. In the first regime of frost growth, the initial frost density and thickness was modeled from the theories of crystal growth. The 'frost point' temperature was modeled as a linear interpolation between the dew point temperature and the fog point temperature, based upon the nucleating capability of the particular condensing surfaces. For a second regime of frost growth, the diffusion model was adopted with the following enhancements: the generalized correlation of the water frost thermal conductivity was applied to practically all water frost layers being careful to ensure that the calculated heat and mass transfer coefficients agreed with experimental measurements of the same coefficients.

Dietenberger, M. A.↗
DOE OSTI2016

Modeling and Validation of Sodium Plugging for Heat Exchangers in Sodium-cooled Fast Reactor Systems

The project “Modeling and Validation of Sodium Plugging for Heat Exchangers in Sodium-cooled Fast Reactor Systems” was conducted jointly by Westinghouse Electric Company (Westinghouse) and Argonne National Laboratory (ANL), over the period October 1, 2013- March 31, 2016. The project’s motivation was the need to provide designers of Sodium Fast Reactors (SFRs) with a validated, state-of-the-art computational tool for the prediction of sodium oxide (Na 2 O) deposition in small-diameter sodium heat exchanger (HX) channels, such as those in the diffusion bonded HXs proposed for SFRs coupled with a supercritical CO 2 (sCO 2 ) Brayton cycle power conversion system. In SFRs, Na 2 O deposition can potentially occur following accidental air ingress in the intermediate heat transport system (IHTS) sodium and simultaneous failure of the IHTS sodium cold trap. In this scenario, oxygen can travel through the IHTS loop and reach the coldest regions, represented by the cold end of the sodium channels of the HXs, where Na 2 O precipitation may initiate and continue. In addition to deteriorating HX heat transfer and pressure drop performance, Na 2 O deposition can lead to channel plugging especially when the size of the sodium channels is small, which is the case for diffusion bonded HXs whose sodium channel hydraulic diameter is generally below 5 mm. Sodium oxide melts at a high temperature well above the sodium melting temperature such that removal of a solid plug such as through dissolution by pure sodium could take a lengthy time. The Sodium Plugging Phenomena Loop (SPPL) was developed at ANL, prior to this project, for investigating Na 2 O deposition phenomena within sodium channels that are prototypical of the diffusion bonded HX channels envisioned for SFR-sCO 2 systems. In this project, a Computational Fluid Dynamic (CFD) model capable of simulating the thermal-hydraulics of the SPPL test section and provided with Na 2 O deposition prediction capabilities, was developed. This state-of-the-art computational tool incorporates a first-principles Na 2 O deposition model developed by ANL, and combines it with predictive capabilities for the spatial and temporal variation of temperature, velocity, dissolved oxygen concentration, and wall temperature under flowing sodium conditions. The CFD model was validated under no-deposition conditions using experimental data collected with the SPPL, demonstrating the model’s capability to predict the thermal-hydraulics of the SPPL test section within the measurement uncertainty characterizing the SPPL instrumentation. The model’s deposition prediction capability was not, however, validated as the SPPL could not be operated under plugging conditions during the project, resulting in the lack of deposition data with adequate pedigree for a CFD model validation. Two novel diagnostic techniques to detect and characterize Na 2 O deposits, i.e. Ultrasonic Time Domain Reflectometry (UTDR) and Potential Drop (PD) techniques, were developed to ultimately assist in the validation effort under plugging conditions, which can be performed once the SPPL becomes operational. This development effort consisted first in demonstrating, analytically and/or computationally, the capability of these techniques to diagnose Na 2 O deposits inside of small channels (particularly the deposit’s thickness), and subsequently in the fabrication and testing of prototypical UTDR and PD instrumentation. The testing, performed on mockups of the SPPL test section, demonstrated the capability of these techniques to detect and characterize material discontinuities like those induced by sodium oxide deposition on stainless steel channel walls. Because of the mentioned impossibility to run the SPPL in a plugging mode, the developed instrumentation could not be tested in-situ, i.e. at the SPPL while deposits are being formed inside of the SPPL test section. Recommended future work includes a possible enhancement in the CFD modeling technique and installation of the developed UTDR and PD instrumentation on the test section, followed by plugging tests to be conducted with the SPPL. The installation of the UTDR and PD diagnostic instrumentation on the SPPL test section will allow collection of Na 2 O deposition data after the onset of deposition to nearly complete channel plugging, which can ultimately be used for the validation of the CFD model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

A non‐intrusive domain‐decomposition model reduction method for linear steady‐state partial differential equations with random coefficients

Abstract Domain decomposition methods have been proved to be an effective strategy to reduce the dimension of parametric partial differential equations (PDEs). However, existing domain decomposition methods for parametric PDEs are usually intrusive, which means domain decomposition based solvers need to be implemented from scratch for each target parametric PDE. To address this issue, we develop a new non‐intrusive domain‐decomposition model reduction method for linear steady‐state PDEs with random‐field coefficients. As a variant of our previous work by Mu and Zhang, the new method only needs access to the final linear system, that is, the global stiffness matrix and the right hand side, of a deterministic PDE solver, in order to build a domain‐decomposition‐based reduced model without intrusive implementation from scratch. The key idea is to remove the interface condition between sub‐domains and rely on the correlation between columns of the linear system to couple the sub‐domains. The non‐intrusive feature enables the applicability of the proposed method to a broader class of uncertainty quantification problems, where many legacy codes/solvers can be fully reused by our method. Two numerical examples including diffusion equations with random diffusivity and convection‐dominated transport with random velocity, are provided to demonstrate the effectiveness and efficiency of our method.

Zhang, Guannan↗
DOE OSTI2024

Understanding particle size effect on fast-charging behavior of graphite anode using ultra-thin-layer electrodes

Extreme fast charging (≤ 15 min) of lithium-ion batteries is highly desirable to accelerate mass-market adoption of electric vehicles. However, significant capacity fading, as well as safety issues due to the lithium plating caused by the fast charging rate, limit its implementation. In this study, we investigated the fast-charging capability of graphite materials with various particle sizes. To eliminate the Li + ion concentration gradient effect across the thickness of the electrode, ultra-thin-layer graphite electrodes were developed to investigate the "real" fast-charging capability of graphite at the particle level. Electrochemical assessments as well as microscopic characterizations revealed that smaller particles exhibited superior fast-charging performance, featuring enhanced capacity reversibility, faster charging rate, and less lithium plating under the same fast-charging conditions. It is shown that small-particle graphite (mean radius of 3.3 μm) could withstand a 4C charge (to 80 % state-of-charge) without plating, with minimal plating occurring at 6C. Thicker particles exhibited plating at lower C-rates. Since the experimental data could not directly explain whether intra-particle diffusion limitations or interfacial reaction limitations dominated the plating mechanism, the pseudo-2-dimensional model was used to evaluate the most likely plating mechanism. The model suggested that particle-level diffusion is the dominant mechanism contributing to plating at high rates. Finally, this work provides comprehensive insights into the particle size effects on fast-charging capability, offering a better understanding of fast-charging behavior and valuable guidance for designing optimal electrode architecture for high-rate lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2019

Plasma kinetic effects on interfacial mix and burn rates in multispatial dimensions

The physics of mixing in plasmas is of great significance to inertial confinement fusion and high energy density laboratory experiments. Two- and three-dimensional (2D and 3D) particle-in-cell simulations with a binary collision model are used to explore kinetic effects arising during the mixing of plasma media. The applicability of the one-dimensional (1D) ambipolarity condition is evaluated in 2D and 3D simulations of a plasma interface with a sinusoidal perturbation. The 1D ambipolarity condition is found to remain valid in 2D and 3D, as electrons and ions flow together required for $J$ = 0. Simulations of perturbed interfaces show that diffusion-induced total pressure imbalance and hydroflows flatten fine interface structures and drive rapid atomic mix. The atomic mix rate from a structured interface is faster than the ~$\sqrt{\bar{t}}$ scaling obtained from 1D theory in the small-Knudsen-number limit. Plasma kinetic effects inhibit the growth of the Rayleigh-Taylor instability at small wavelengths and result in a nonmonotonic growth rate scaling with wavenumber k with a maximum at a low k value, much different from $\sqrt{Agk}$ (where A is the Atwood number and g is the gravitational constant) as expected in the absence of plasma kinetic effects. Simulations under plasma conditions relevant to MARBLE separated-reactant experiments on Omega and the NIF show kinetic modification of DT fusion reaction rates. With non-Maxwellian distributions and relative drifts between D and T ions, DT reactivity is higher than that inferred from rates using stationary Maxwellian distributions. Reactivity is additionally revealed to be reduced in the presence of finite-Knudsen-layer losses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Transport Processes in a Li-ion Cell during an Internal Short-Circuit

Internal short-circuit in a lithium-ion cell causes an abrupt increase in cell temperature and triggers subsequent thermal runaway. In this work, we present a detailed electrochemical-thermal model to investigate the physical behavior during an internal short-circuit. Simulations at wide range of heat transfer coefficients and short-circuit resistances are conducted to illustrate electrochemical and thermal behavior under a wide range of conditions. The Joule heating at the shorted region promotes electrochemical reactions nearby, causing in-plane non-uniformity of electrolyte and active material transport. Furthermore, it is found that diffusion in solid active materials plays a significant role at very high shorting currents (~20 C), as electrochemical reactions rate are being controlled progressively more by availability of Li + at the interface, due to limitations in diffusion through the active material with increasing discharge rates. This diffusion limitation causes a drop in available energy, and subsequently a decrease in cell equilibrium potential and the heat generation rate at the location of the short. On the other hand, rapid depletion of lithium concentration in the electrolyte and accumulation on the electrode surface results in highly non-uniform transport properties resulting in higher heat generation rates. Hence, the heating regime shifts from "local heating" to "global heating". Based on the findings, important design parameters for battery safety are discussed.

25 ENERGY STORAGE↗
NASA NTRS1990

Filtering analysis of a direct numerical simulation of the turbulent Rayleigh-Benard problem

A filtering analysis of a turbulent flow was developed which provides details of the path of the kinetic energy of the flow from its creation via thermal production to its dissipation. A low-pass spatial filter is used to split the velocity and the temperature field into a filtered component (composed mainly of scales larger than a specific size, nominally the filter width) and a fluctuation component (scales smaller than a specific size). Variables derived from these fields can fall into one of the above two ranges or be composed of a mixture of scales dominated by scales near the specific size. The filter is used to split the kinetic energy equation into three equations corresponding to the three scale ranges described above. The data from a direct simulation of the Rayleigh-Benard problem for conditions where the flow is turbulent are used to calculate the individual terms in the three kinetic energy equations. This is done for a range of filter widths. These results are used to study the spatial location and the scale range of the thermal energy production, the cascading of kinetic energy, the diffusion of kinetic energy, and the energy dissipation. These results are used to evaluate two subgrid models typically used in large-eddy simulations of turbulence. Subgrid models attempt to model the energy below the filter width that is removed by a low-pass filter.

Eidson, T. M.↗
NASA NTRS1997

Physical Vapor Transport of Mercurous Chloride Crystals: Design of a Microgravity Experiment

Flow field characteristics predicted from a computational model show that the dynamical state of the flow, for practical crystal growth conditions of mercurous chloride, can range from steady to unsteady. Evidence that the flow field can be strongly dominated by convection for ground-based conditions is provided by the prediction of asymmetric velocity profiles bv the model which show reasonable agreement with laser Doppler velocimetry experiments in both magnitude and planform. Unsteady flow is shown to be correlated with a degradation of crystal quality as quantified by light scattering pattern measurements, A microgravity experiment is designed to show that an experiment performed with parameters which yield an unsteady flow becomes steady (diffusive-advective) in a microgravity environment of 10(exp -3) g(sub 0) as predicted by the model, and hence yields crystals with optimal quality.

Duval, W, M. B.↗
NASA NTRS1995

Analysis of Aerothermal Heating Over Reusable Single-Stage to Orbit Vehicles

Using the General Aerodynamic Simulation Program (GASP) with finite-rate surface catalysis and radiative equilibrium surface temperature conditions, a computational study has been conducted to predict three-dimensional aero-convective heating over the proposed reusable single-stage to orbit vehicles. The solutions for three basic classes of usable single-stage-to-orbit vehicles, including wing body, lifting body and vertical lander, are presented and compared to provide information for vehicle design. The free stream conditions used in this study occur at an altitude of 57.5 km, ambient density of 4.129e-4 kg/cubic m, and velocity of 4,849 m/s. The convective heating over the vehicle surface in both laminar and turbulent flow regimes were computed. The Baldwin-Lomax algebraic model with a modified van Driest damping factor was applied in the turbulent flow calculations. A bifurcation model which guarantees the conservation of mass diffusive fluxes was adopted to account for the multi-species mass diffusion. The effects of turbulence and surface catalysis on the surface heating are discussed in detail The solutions indicate the degree of oxygen dissociation over the leeward side is sensitive to the shape of vehicle body. Predicted convective heating over the entire surface of lifting body is strongly affected by the presence of surface catalysis. For wing body and vertical lander, the surface catalysis effect does not appear to be important in the far downstream region, and turbulence is the dominant effect on the heating prediction in this region.

Chen, Y. K.↗
DOE OSTI2022

Macrovoid resolved simulations of transport through HPRO relevant membrane geometries

Modeling the transport properties such as diffusivity and permeability of high pressure reverse osmosis (HPRO) membranes is critical for the selection and manufacture of membranes suitable for operation under high pressure. These properties can be significantly affected by the changes in heterogeneous pore structures due to compaction. Here, the modeling platform presented in this work resolves the two scale porosity in HPRO relevant membranes. A synthetic membrane geometry is constructed based on available experimental visualizations of pore structures. The simulations directly capture the flow channeling that results from a combination of material properties and geometric features of the macrovoids. A parametric study is presented to account for the transition of flow characteristics from a material governed regime to a macrovoid governed regime. Permeability of the membrane is evaluated using the simulation data and compared with an existing model that scales with the square of tortuosity over a range of material properties. The model is found to perform well under a narrow range of tortuosity while deviating from the calculated permeabilities at extreme conditions. The effective permeability of the membrane is found to vary by at least two orders of magnitude between the two flow regimes. It is also observed that tortuosity is a bounded property with its upper limit determined by the macrovoid geometry. Consequently, the tortuosity based correlations fail near a flow regime that is mainly governed by the macrovoids. The modeled permeability can be more than an order of magnitude smaller than the simulation result. A new model based on flux-weighted porosity of a membrane is introduced and its correlation with tortuosity is studied. The model agrees with the simulated data as, in addition to tortuosity, it also accounts for the flux partition within and outside the flow channels. Such correlations enable extending the existing understanding of flow characteristics to enhance predictability of porous media models.

42 ENGINEERING↗
NASA NTRS1980

Turbulence Modeling for Unsteady Transonic Flows

Conditionally sampled, ensemble-averaged velocity measurements, made with a laser velocimeter, were taken in the flowfield over the rear half of an 18% thick circular arc airfoil at zero incidence tested at M = 0.76 and of a Reynolds number based on chord of 11 x 10(exp 6). Data for one cycle of periodic unsteady flow having a reduced frequency bar-f of 0.49 are analyzed. A series of compression waves, which develop in the early stages of the cycle, strengthen and coalesce into a strong shock wave that moves toward the airfoil leading edge. A thick shear layer forms downstream of the shock wave. The kinetic energy and shear stresses increase dramatically, reach a maximum when dissipation and diffusion of the turbulence exceed production, and then decrease substantially. The response time of the turbulence to the changes brought about by the shock-wave passage upstream depends on the shock-wave strength and position in the boundary layer. The cycle completes itself when the shock wave passes the midchord, weakens, and the shear layer collapses. Remarkably good comparisons are found with computations that employ the time-dependent Reynolds averaged form of the Navier-Stokes equations using an algebraic eddy viscosity model, developed for steady flows.

Marvin, J. G.↗
DOE OSTI2023

Impact of phase state and non-ideal mixing on equilibration timescales of secondary organic aerosol partitioning

Abstract. Evidence has accumulated that secondary organic aerosols (SOAs) exhibit complex morphologies with multiple phases that can adopt amorphous semisolid or glassy phase states. However, experimental analysis and numerical modeling on the formation and evolution of SOA still often employ equilibrium partitioning with an ideal mixing assumption in the particle phase. Here we apply the kinetic multilayer model of gas–particle partitioning (KM-GAP) to simulate condensation of semi-volatile species into a core–shell phase-separated particle to evaluate equilibration timescales of SOA partitioning. By varying bulk diffusivity and the activity coefficient of the condensing species in the shell, we probe the complex interplay of mass transfer kinetics and the thermodynamics of partitioning. We found that the interplay of non-ideality and phase state can impact SOA partitioning kinetics significantly. The effect of non-ideality on SOA partitioning is slight for liquid particles but becomes prominent in semisolid or solid particles. If the condensing species is miscible with a low activity coefficient in the viscous shell phase, the particle can reach equilibrium with the gas phase long before the dissolution of concentration gradients in the particle bulk. For the condensation of immiscible species with a high activity coefficient in the semisolid shell, the mass concentration in the shell may become higher or overshoot its equilibrium concentration due to slow bulk diffusion through the viscous shell for excess mass to be transferred to the core phase. Equilibration timescales are shorter for the condensation of lower-volatility species into semisolid shell; as the volatility increases, re-evaporation becomes significant as desorption is faster for volatile species than bulk diffusion in a semisolid matrix, leading to an increase in equilibration timescale. We also show that the equilibration timescale is longer in an open system relative to a closed system especially for partitioning of miscible species; hence, caution should be exercised when interpreting and extrapolating closed-system chamber experimental results to atmosphere conditions. Our results provide a possible explanation for discrepancies between experimental observations of fast particle–particle mixing and predictions of long mixing timescales in viscous particles and provide useful insights into description and treatment of SOA in aerosol models.

54 ENVIRONMENTAL SCIENCES↗