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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

A General Model for the Electrochemical Double Layer in Solids

It has long been clear that electrochemical double layer / space charge zone in the vicinity of interfaces and other extended defects greatly influences transport and reactivity. Over the past several years, multiple microscopic measurements of defect concentrations in the vicinity of solid-solid interfaces made clear that dilute-case thermodynamic theories to describe the behavior of charged species in space charge zones are untenable. Inhomogeneous thermodynamics – i.e., phase field models – have delivered the most success in describing both microscopic and macroscopic experiments. We still need a generalized approach that quantitatively reproduces the microscopic and macroscopic evidence, while remaining accessible to a wide range of researchers and engineers. In my talk I will present such a framework, which builds on the previously introduced Poisson-Cahn theory but utilizes data science methods which come into the thermodynamic framework in a well-defined way. I will review recent applications to both microscopic and macroscopic datasets while previewing our plans for connecting the theory to atomistic / first principles calculations and experiment simultaneously. I will also review plans for releasing open source code that runs on desktop-level computational resources.

David Mebane↗
NASA NTRS1983

Thermodynamic analysis of journal bearings operating under steady state loading in laminar regime

Thermohydrodynamic effects in journal bearings operating under steady load in laminar regime are investigated. An analytical model for the finite and infinitely long journal bearings is formulated. The model includes correction factors for the cavitation effects in the unloaded region of the bearing and the mixing of the recirculating oil and supply oil at the oil inlet. A finite difference computer program is developed to numerically solve the governing equations of the continuity, Reynolds, energy, Laplace heat conduction, and a viscosity-temperature relation simultaneously. The program includes a numerical technique for obtaining an isothermal shaft temperature. The numerical results of temperature distribution and the heat effects on the bearing load carrying capacity agree closely with those of experimental findings. Several different sets of simpler boundary conditions for the energy equation are studied.

Khonsari, M. M.↗
NASA NTRS1995

The Development of a Nonequilibrium Radiative Heat Transfer Computational Model for High Altitude Entry Vehicle Flowfield Methods

This final report will attempt to concisely summarize the activities and accomplishments associated with NASA Grant and to include pertinent documents in an appendix. The project initially had one primary and several secondary objectives. The original primary objective was to couple into the NASA Johnson Space Center (JSC) nonequilibrium chemistry Euler equation entry vehicle flowfield code, INEQ3D, the Texas A&M University (TAMU) local thermodynamic nonequilibrium (LTNE) radiation model. This model had previously been developed and verified under NASA Langley and NASA Johnson sponsorship as part of a viscous shock layer entry vehicle flowfield code. The secondary objectives were: (1) to investigate the necessity of including the radiative flux term in the vibrational-electron-electronic (VEE) energy equation as well as in the global energy equation, (2) to determine the importance of including the small net change in electronic energy between products and reactants which occurs during a chemical reaction, and (3) to study the effect of atom-atom impact ionization reactions on entry vehicle nonequilibrium flowfield chemistry and radiation. For each, of these objectives, it was assumed that the code would be applicable to lunar return entry conditions, i.e. altitude above 75 km, velocity greater, than 11 km/sec, where nonequilibrium chemistry and radiative heating phenomena would be significant. In addition, it was tacitly assumed that as part of the project the code would be applied to a variety of flight conditions and geometries.

Carlson, Leland A.↗
NASA NTRS1996

Electrical double layers at the oil/water interface

This review presents the historical development and current status of the theory of the electrical double layer at a liquid/liquid interface. It gives rigorous thermodynamic definitions of all basic concepts related to liquid interfaces and to the electrical double layer. The difference between the surface of a solid electrode and the interface of two immiscible electrolyte solutions (ITIES) is analyzed in connection to their electrical properties. The most important classical relationships for the electrical double layer are presented and critically discussed. The generalized adsorption isotherm is derived. After a short review of the classical Gouy-Chapman and Verwey-Niessen models, more recent developments of the double layer theory are presented. These include effects of variable dielectric permittivity, nonlocal electrostatics, hydration forces, the modified Poisson-Boltzmann equation and the ion-dipole plasma. The relative merits of different theories are estimated by comparing them with computer simulation of the ITIES and electrical double layer. Special attention is given to the structure of ITIES and its variation due to adsorption of ions and amphiphilic molecules.

Non-NASA Center↗
NASA NTRS2019

Total Temperature Measurements in Icing Cloud Flows Using a Rearward Facing Probe

This paper reports on temperature and humidity measurements from a series of ice-crystal icing tunnel experiments conducted in June 2018 at the Propulsion Systems Laboratory at the NASA Glenn Research Center. The tests were fundamental in nature and were aimed at investigating the icing processes on a two-dimensional NACA0012 airfoil subjected to artificially generated icing clouds. Prior to the tests on the airfoil, a suite of instruments, including total temperature and humidity probes, were used to characterize the thermodynamic flow and icing cloud conditions of the facility. Two different total temperature probes were used in these tests which included a custom designed rearward facing probe and a commercial self-heating total temperature probe. The rearward facing probe, the main total temperature probe, was designed to reduce and mitigate the contaminating effects of icing and ingestion of ice crystals and water droplets at the probe's inlet. The probe also serves as an air-sample inlet for a light absorption based humidity measurement. The paper includes a section which discusses total temperature and humidity measurement considerations, and another section which provides an analysis of the main probe's performance characteristics. A computational fluid dynamic model of the flow around the probe was also conducted to gain insight into the trajectory of the flow entering the probe inlet. The experiments included a series of tests in which the relative humidity of the facility flow was swept through with increasingly larger values. The data showed that the rearward facing probe can reasonably capture the flow's total temperature and humidity under mild to moderate icing conditions but produces anomalous results under more intense icing conditions. The experimental data was also compared to an in-house developed thermodynamic model which takes into account the interaction of the main flow with the icing cloud. Comparison to the thermodynamic model showed that the rearward facing probe measured the predicted trends.

Agui, Juan H.↗
NASA NTRS1992

Vapor-liquid equilibrium thermodynamics of N2 + CH4 - Model and Titan applications

A thermodynamic model is presented for vapor-liquid equilibrium in the N2 + CH4 system, which is implicated in calculations of the Titan tropospheric clouds' vapor-liquid equilibrium thermodynamics. This model imposes constraints on the consistency of experimental equilibrium data, and embodies temperature effects by encompassing enthalpy data; it readily calculates the saturation criteria, condensate composition, and latent heat for a given pressure-temperature profile of the Titan atmosphere. The N2 content of condensate is about half of that computed from Raoult's law, and about 30 percent greater than that computed from Henry's law.

Thompson, W. R.↗
NASA NTRS2015

A Module for Assimilating Hyperspectral Infrared Retrieved Profiles into the Gridpoint Statistical Interpolation System for Unique Forecasting Applications

Hyperspectral infrared sounder radiance data are assimilated into operational modeling systems however the process is computationally expensive and only approximately 1% of available data are assimilated due to data thinning as well as the fact that radiances are restricted to cloud-free fields of view. In contrast, the number of hyperspectral infrared profiles assimilated is much higher since the retrieved profiles can be assimilated in some partly cloudy scenes due to profile coupling other data, such as microwave or neural networks, as first guesses to the retrieval process. As the operational data assimilation community attempts to assimilate cloud-affected radiances, it is possible that the use of retrieved profiles might offer an alternative methodology that is less complex and more computationally efficient to solve this problem. The NASA Short-term Prediction Research and Transition (SPoRT) Center has assimilated hyperspectral infrared retrieved profiles into Weather Research and Forecasting Model (WRF) simulations using the Gridpoint Statistical Interpolation (GSI) System. Early research at SPoRT demonstrated improved initial conditions when assimilating Atmospheric Infrared Sounder (AIRS) thermodynamic profiles into WRF (using WRF-Var and assigning more appropriate error weighting to the profiles) to improve regional analysis and heavy precipitation forecasts. Successful early work has led to more recent research utilizing WRF and GSI for applications including the assimilation of AIRS profiles to improve WRF forecasts of atmospheric rivers and assimilation of AIRS, Cross-track Infrared and Microwave Sounding Suite (CrIMSS), and Infrared Atmospheric Sounding Interferometer (IASI) profiles to improve model representation of tropopause folds and associated non-convective wind events. Although more hyperspectral infrared retrieved profiles can be assimilated into model forecasts, one disadvantage is the retrieved profiles have traditionally been assigned the same error values as the rawinsonde observations when assimilated with GSI. Typically, satellitederived profile errors are larger and more difficult to quantify than traditional rawinsonde observations (especially in the boundary layer), so it is important to appropriately assign observation errors within GSI to eliminate potential spurious innovations and analysis increments that can sometimes arise when using retrieved profiles. The goal of this study is to describe modifications to the GSI source code to more appropriately assimilate hyperspectral infrared retrieved profiles and outline preliminary results that show the differences between a model simulation that assimilated the profiles as rawinsonde observations and one that assimilated the profiles in a module with the appropriate error values.

Berndt, Emily↗
NASA NTRSDate not supplied

State of the AGN: Progress Toward Understanding Black Hole Accretion Processes

Accretion of plasma onto black holes power some of the most powerful systems in the cosmos. Supermassive black holes at the centers of galaxies represent the high-mass limit of these objects and so account for the most luminous accretors. As a result, their influence spans vast spatial and temporal scales of cosmic phenomena: intracluster heating, intergalactic media, galactic feedback and star formation, kiloparsec-scale jets/outflows, variability over time scales of minutes to centuries, and luminous multi-wavelength electromagnetic emission extending all the way down to its event horizon. Their intrigue is heightened by the fact that they lie at the intersection of various physical laws---e.g., general relativistic gravity, magnetohydrodynamics, radiation, high-energy particle physics, thermodynamics, and photo-ionization---which all must be reconciled to arrive at a fundamental understanding and probe for new physics, like tests of general relativity. These physics ingredients must be incorporated into simulations performed somehow on dynamical scales ranging from that of the event horizon to parsec-scales. Fortunately, new computational and theoretical techniques---such as GPU computing, radiation transport, and and novel gridding techniques---are enabling progress to larger scales, more degrees of freedom, and even to binary systems. Some of the topics we will survey include recent progress on simulating the relationship between the disk-jet interaction, how tilted black holes behave, radiation-dominated flow, and how binary AGN affect the standard picture of black hole accretion. Along the way, we will highlight how new technologies have enabled these scientific rewards. Future directions and open questions will be provided to inspire discussion and interaction during the session.

LISA↗
NASA NTRSDate not supplied

Development and Validation of a Slosh-Based Ullage Collapse Model

Ullage collapse modeling is an essential tool for the success of spacecraft powered by cryogenic propellants. The degree of ullage collapse can have a major impact on the design of cryogenic propellant tanks as well as the mission’s concept of operations. Additional commodities (e.g., helium gas for pressure control) and their quantities are dependent on the amount of heat transfer and phase change of propellants expected during flight. Currently, high-fidelity computational fluid dynamics (CFD) with heat transfer and phase change is the most accurate method for predicting ullage collapse. CFD simulations of this kind, however, can become very costly for problems requiring large domains, long simulation times, or significant liquid motion. Consequently, there is a need for a reduced order model to provide fast responses which can be used in engineering design decisions. The proposed numerical model is a nodal approach, augmented by outputs from CFD analyses that are generated rapidly and reliably. These outputs include transient values for liquid-vapor interface area, interface velocity, and liquid position using a volume of fluid (VoF) method. There are several benefits of combining a nodal approach with slosh predictions from CFD simulations: leveraging of the Loci/STREAM-VoF solver that has been validated in high-g and low-g environments, rapid modeling of VoF with isothermal propellant simplifications and relatively coarse meshes, and improved model predictions from the nodal tool. The nodal approach, informed by the slosh predictions from CFD, assumes uniform conditions in the liquid and gas domains. Modifications to account for temperature stratification in the liquid and gas may be implemented as a future improvement. Thermodynamic changes within the tank are solved at user-defined timesteps. First, impacts due to mass entering or leaving the control volume are captured. Second, heat transfer impacts are accounted for by tracking the volume of the gas which has been contacted by liquid in that timestep and rebalancing the internal energy. Finally, phase change is approximated using the area and velocity of the interface. The tank conditions are re-computed by conserving mass and energy. Calibration of the model to several test flights and experiments are required to baseline the predictive power and uncertainty. The final product will enable designers and engineers to create quick-turnaround predictions for ullage collapse and inform design feasibility.

Computational Fluid Dynamics↗
NASA NTRS1983

Opportunities for research in aerothermodynamics

"Aerothermodynamics' involves the disciplines of chemistry, thermodynamics, fluid mechanics and heat transfer which have collaborative importance in propulsion systems. There are growing opportunities for the further application of these disciplines to improve the methodology for the design of advanced gas turbines; particularly, the combustor and turbine. Design procedures follow empirical or cut and try guidelines. The tremendous advances in computational analysis and in instrumentation techniques hold promise for research answers to complex physical processes that are currently not well understood. The transfer of basic research understanding to engineering design should result in shorter, less expensive development commitments for engines. The status and anticipated opportunities in research topics relevant to combustors and turbines is reviewed.

Graham, R. W.↗
NASA NTRS1994

Modelling of transient two-phase heat transfer for spacecraft thermal management

A computational method for predicting the two-phase transient fluid flow and heat transfer characteristics within a reservoir of the capillary-pumped-loop, intended to be used for spacecraft thermal management, has been developed. The model is based on the enthalpy formulation in an axisymmetric configuration. The reservoir operates under a constant thermodynamic pressure by allowing mass exchange between the reservoir and the outside loop. Both 1 g and 0 g environments have been considered to assess the effects of gravity on the reservoir performance. Depending on the gravity level, the power input and the reservoir orientation, three different convection modes have been identified, namely, the thermocapillary mode, the buoyancy mode, and the rapid-expansion mode (caused by interface movement). The impact of these modes on the performance of the reservoir and the associated physical phenomena have been discussed.

Shyy, W.↗
NASA NTRS2003

A Discrete Constraint for Entropy Conservation and Sound Waves in Cloud-Resolving Modeling

Ideal cloud-resolving models contain little-accumulative errors. When their domain is so large that synoptic large-scale circulations are accommodated, they can be used for the simulation of the interaction between convective clouds and the large-scale circulations. This paper sets up a framework for the models, using moist entropy as a prognostic variable and employing conservative numerical schemes. The models possess no accumulative errors of thermodynamic variables when they comply with a discrete constraint on entropy conservation and sound waves. Alternatively speaking, the discrete constraint is related to the correct representation of the large-scale convergence and advection of moist entropy. Since air density is involved in entropy conservation and sound waves, the challenge is how to compute sound waves efficiently under the constraint. To address the challenge, a compensation method is introduced on the basis of a reference isothermal atmosphere whose governing equations are solved analytically. Stability analysis and numerical experiments show that the method allows the models to integrate efficiently with a large time step.

Zeng, Xi-Ping↗
NASA NTRS2004

The Impact of Aerosols on Cloud and Precipitation Processes: Cloud-Resolving Model Simulations

Cloud microphysics are inevitably affected by the smoke particle (CCN, cloud condensation nuclei) size distributions below the clouds. Therefore, size distributions parameterized as spectral bin microphysics are needed to explicitly study the effects of atmospheric aerosol concentration on cloud development, rainfall production, and rainfall rates for convective clouds. Recently, two detailed spectral-bin microphysical schemes were implemented into the Goddard Cumulus Ensemble (GCE) model. The formulation for the explicit spectral-bin microphysical processes is based on solving stochastic kinetic equations for the size distribution functions of water droplets (i.e., cloud droplets and raindrops), and several types of ice particles (i.e., pristine ice crystals (columnar and plate-like), snow (dendrites and aggregates), graupel and frozen drops/hail). Each type is described by a special size distribution function containing many categories (i.e. 33 bins). Atmospheric aerosols are also described using number density size-distribution functions. A spectral-bin microphysical model is very expensive from a computational point of view and has only been implemented into the 2D version of the GCE at the present time. The model is tested by studying the evolution of deep cloud systems in the west Pacific warm pool region, in the sub-tropics (Florida) and in the mid-latitude using identical thermodynamic conditions but with different concentrations of CCN: a low 'clean' concentration and a high 'dirty' concentration.

Tao, Wei-Kuo↗
NASA NTRS2011

Inflow/Outflow Boundary Conditions with Application to FUN3D

Several boundary conditions that allow subsonic and supersonic flow into and out of the computational domain are discussed. These boundary conditions are demonstrated in the FUN3D computational fluid dynamics (CFD) code which solves the three-dimensional Navier-Stokes equations on unstructured computational meshes. The boundary conditions are enforced through determination of the flux contribution at the boundary to the solution residual. The boundary conditions are implemented in an implicit form where the Jacobian contribution of the boundary condition is included and is exact. All of the flows are governed by the calorically perfect gas thermodynamic equations. Three problems are used to assess these boundary conditions. Solution residual convergence to machine zero precision occurred for all cases. The converged solution boundary state is compared with the requested boundary state for several levels of mesh densities. The boundary values converged to the requested boundary condition with approximately second-order accuracy for all of the cases.

Carlson, Jan-Renee↗
NASA NTRS1993

Computational fluid dynamic modelling of cavitation

Models in sheet cavitation in cryogenic fluids are developed for use in Euler and Navier-Stokes codes. The models are based upon earlier potential-flow models but enable the cavity inception point, length, and shape to be determined as part of the computation. In the present paper, numerical solutions are compared with experimental measurements for both pressure distribution and cavity length. Comparisons between models are also presented. The CFD model provides a relatively simple modification to an existing code to enable cavitation performance predictions to be included. The analysis also has the added ability of incorporating thermodynamic effects of cryogenic fluids into the analysis. Extensions of the current two-dimensional steady state analysis to three-dimensions and/or time-dependent flows are, in principle, straightforward although geometrical issues become more complicated. Linearized models, however offer promise of providing effective cavitation modeling in three-dimensions. This analysis presents good potential for improved understanding of many phenomena associated with cavity flows.

Deshpande, Manish↗
NASA NTRS1992

Research activity at the shock tube facility at NASA Ames

The real gas phenomena dominate the relaxation process occurring in the flow around hypersonic vehicles. The air flow around these vehicles undergoes vibrational excitation, chemical dissociation, and ionization. These chemical and kinetic phenomena absorb energy, change compressibility, cause temperature to fall, and density to rise. In high-altitude, low density environments, the characteristic thicknesses of the shock layers can be smaller than the relaxation distances required for the gas to attain chemical and thermodynamic equilibrium. To determine the effects of chemical nonequilibrium over a realistic hypersonic vehicle, it would be desirable to conduct an experiment in which all aspects of fluid flow are simulated. Such an experiment is extremely difficult to setup. The only practical alternative is to develop a theoretical model of the phenomena and to compute the flow around the vehicle including the chemical nonequilibrium, and compare the results with the experiments conducted in the facilities under conditions where only a portion of the flow phenomena is simulated. Three types of experimental data are needed to assist the aerospace community in this model development process: (1) data which will enhance our phenomenological understanding of the relaxation process, (2) data on rate reactions for the relevant reactions, and (3) data on bulk properties, such as spectral radiation emitted by the gas, for a given set of aerodynamic conditions. NASA Ames is in a process of collecting such data by simulating the required aerothermochemical conditions in an electric arc driven shock tube.

Sharma, Surendra P.↗
NASA NTRS2004

Tropical Convective Responses to Microphysical and Radiative Processes: A Sensitivity Study With a 2D Cloud Resolving Model

Prognostic cloud schemes are increasingly used in weather and climate models in order to better treat cloud-radiation processes. Simplifications are often made in such schemes for computational efficiency, like the scheme being used in the National Centers for Environment Prediction models that excludes some microphysical processes and precipitation-radiation interaction. In this study, sensitivity tests with a 2D cloud resolving model are carried out to examine effects of the excluded microphysical processes and precipitation-radiation interaction on tropical thermodynamics and cloud properties. The model is integrated for 10 days with the imposed vertical velocity derived from the Tropical Ocean Global Atmosphere Coupled Ocean-Atmosphere Response Experiment. The experiment excluding the depositional growth of snow from cloud ice shows anomalous growth of cloud ice and more than 20% increase of fractional cloud cover, indicating that the lack of the depositional snow growth causes unrealistically large mixing ratio of cloud ice. The experiment excluding the precipitation-radiation interaction displays a significant cooling and drying bias. The analysis of heat and moisture budgets shows that the simulation without the interaction produces more stable upper troposphere and more unstable mid and lower troposphere than does the simulation with the interaction. Thus, the suppressed growth of ice clouds in upper troposphere and stronger radiative cooling in mid and lower troposphere are responsible for the cooling bias, and less evaporation of rain associated with the large-scale subsidence induces the drying in mid and lower troposphere.

Li, Xiao-Fan↗
NASA NTRS2011

Modeling the Effects of Ice Accretion on the Low Pressure Compressor and the Overall Turbofan Engine System Performance

The focus of this study is on utilizing a mean line compressor flow analysis code coupled to an engine system thermodynamic code, to estimate the effects of ice accretion on the low pressure compressor, and quantifying its effects on the engine system throughout a notional flight trajectory. In this paper a temperature range in which engine icing would occur was assumed. This provided a mechanism to locate potential component icing sites and allow the computational tools to add blockages due to ice accretion in a parametric fashion. Ultimately the location and level of blockage due to icing would be provided by an ice accretion code. To proceed, an engine system modeling code and a mean line compressor flow analysis code were utilized to calculate the flow conditions in the fan-core and low pressure compressor and to identify potential locations within the compressor where ice may accrete. In this study, an "additional blockage" due to the accretion of ice on the metal surfaces, has been added to the baseline aerodynamic blockage due to boundary layer, as well as the blade metal blockage. Once the potential locations of ice accretion are identified, the levels of additional blockage due to accretion were parametrically varied to estimate the effects on the low pressure compressor blade row performance operating within the engine system environment. This study includes detailed analysis of compressor and engine performance during cruise and descent operating conditions at several altitudes within the notional flight trajectory. The purpose of this effort is to develop the computer codes to provide a predictive capability to forecast the onset of engine icing events, such that they could ultimately help in the avoidance of these events.

Veres, Joseph P.↗