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All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Measurement of surface stay times for physical adsorption of gases

A molecular beam time-of-flight technique is studied as a means of determining surface stay times for physical adsorption. The experimental approach consists of pulsing a molecular beam, allowing the pulse to strike an adsorbing surface and detecting the molecular pulse after it has subsequently desorbed. The technique is also found to be useful for general studies of adsorption under nonequilibrium conditions including the study of adsorbate-adsorbate interactions. The shape of the detected pulse is analyzed in detail for a first-order desorption process. For mean stay times, tau, less than the mean molecular transit times involved, the peak of the detected pulse is delayed by an amount approximately equal to tau. For tau much greater than these transit times, the detected pulse should decay as exp(-t/tau). However, for stay times of the order of the transit times, both the molecular speed distributions and the incident pulse duration time must be taken into account.

Wilmoth, R. G.↗
NASA NTRS2023

Chemical Thermodynamics and the Mathematical Integration of Reaction Kinetics

Key advances in the development of numerical methods for non-reacting compressible flows have been enabled by translating physical requirements into concrete numerical guidelines, such as the satisfaction of entropy inequalities for shock-capturing techniques [Lax, Contributions to Nonlinear Functional Analysis (1971) 603-634]. In the present work, we present nonlinear numerical analysis tools that draw from Chemical Thermodynamics , the branch of Nonequilibrium Thermodynamics that deals with chemical reactions. Through Gibbs formalism, chemical thermodynamics provides a well-known theoretical expression for the chemical equilibrium constant of a reaction in terms of reduced chemical potentials. A less-known, yet extremely valuable result, due to [Krambeck, Arch. Ration. Mech. Anal. , 38 (1970) 317], states that when this expression is implemented, mass-action kinetic models are consistent with the dynamical prescriptions of the 2nd law of thermodynamics. For fixed-temperature ordinary differential equations modeling constant-volume reacting gas mixtures, this leads to a decreasing Helmholtz free energy. If the temperature is allowed to vary in accordance with conservation of energy (1st law), this leads to the statement of increasing entropy. These nonlinear prescriptions can, and should be, used to further develop temporal integration techniques for reaction kinetics. We demonstrate that Krambeck's result holds even when the equilibrium constants are approximated from data. We prove this result by constructing the implicit free energy and the implicit entropy inherent to a given approximation. This is first done for a 5-species, 17-reaction model problem for air. With this structure established, elements of discrete entropy-stability theory [Tadmor, Acta Numer. , 12 (2003) 451] are leveraged to examine the consistency of time-integration schemes with these prescriptions. Using chemical potentials, one can compute the respective contributions of the kinetics model and of the temporal scheme to free energy/entropy variations. We introduce a nonlinear-stable version of the Discontinuous-Galerkin (DG) scheme in time which shows robustness improvements over the standard linearly-stable version. Most notably, the maximum timestep that can be resolved with the nonlinearly-stable variant tends to grow with polynomial order, in contrast to the linearly-stable variant. We generalize our constructions to arbitrary systems of reversible chemical reactions, ultimately showing that the compressible reacting Euler system admits the opposite of the implicitly constructed thermodynamic entropy as a mathematical entropy . This lays important theoretical foundations towards robust scheme development [Harten, J. Comput. Phys. 49 (1983) 151-164].

STMD↗
NASA NTRS1973

Tektite ablation - Some confirming calculations.

The calculation of tektite ablation has been redone, taking into account transient effects, internal radiation, melting and nonequilibrium vaporization of the glass, and the drag effect of the flanges. It is found that the results confirm the earlier calculations of Chapman and his group and of Adams and his co-workers. The general trend of the results is not sensitive to reasonable changes of the physical parameters. The ablation is predominantly by melting rather than by vaporization at all velocities up to 11 km/sec; this is surprising in view of the lack of detectable melt flow in most tektites. Chemical effects have not been considered.

O'Keefe, J. A., III↗
NASA NTRS1971

Kinetic theory of a two-dimensional magnetized plasma.

Several features of the equilibrium and nonequilibrium statistical mechanics of a two-dimensional plasma in a uniform dc magnetic field are investigated. The charges are assumed to interact only through electrostatic potentials. The problem is considered both with and without the guiding-center approximation. With the guiding-center approximation, an appropriate Liouville equation and BBGKY hierarchy predict no approach to thermal equilibrium for the spatially uniform case. For the spatially nonuniform situation, a guiding-center Vlasov equation is discussed and solved in special cases. For the nonequilibrium, nonguiding-center case, a Boltzmann equation, and a Fokker-Planck equation are derived in the appropriate limits. The latter is more tractable than the former, and can be shown to obey conservation laws and an H-theorem, but contains a divergent integral which must be cut off on physical grounds. Several unsolved problems are posed.

Vahala, G.↗
NASA NTRS1990

Enhanced thermochemical nonequilibrium computations of flow around the aeroassist flight experiment vehicle

A three-dimensional explicit, finite-rate, shock-capturing numerical algorithm is used to calculate thermochemical nonequilibrium flowfields about the Aeroassist Flight Experiment vehicle at one of its flight trajectory points. The full Navier-Stokes equations and an eleven species chemical model with the latest reaction rates are incorporated into the code. Results are compared against experimental data and other numerical solutions. The effects of changes to the physical model on the stagnation line and base region flow and surface quantities on the forebody are investigated.

Palmer, Grant↗
NASA NTRS2014

Turbulence Modeling Verification and Validation

Computational fluid dynamics (CFD) software that solves the Reynolds-averaged Navier-Stokes (RANS) equations has been in routine use for more than a quarter of a century. It is currently employed not only for basic research in fluid dynamics, but also for the analysis and design processes in many industries worldwide, including aerospace, automotive, power generation, chemical manufacturing, polymer processing, and petroleum exploration. A key feature of RANS CFD is the turbulence model. Because the RANS equations are unclosed, a model is necessary to describe the effects of the turbulence on the mean flow, through the Reynolds stress terms. The turbulence model is one of the largest sources of uncertainty in RANS CFD, and most models are known to be flawed in one way or another. Alternative methods such as direct numerical simulations (DNS) and large eddy simulations (LES) rely less on modeling and hence include more physics than RANS. In DNS all turbulent scales are resolved, and in LES the large scales are resolved and the effects of the smallest turbulence scales are modeled. However, both DNS and LES are too expensive for most routine industrial usage on today's computers. Hybrid RANS-LES, which blends RANS near walls with LES away from walls, helps to moderate the cost while still retaining some of the scale-resolving capability of LES, but for some applications it can still be too expensive. Even considering its associated uncertainties, RANS turbulence modeling has proved to be very useful for a wide variety of applications. For example, in the aerospace field, many RANS models are considered to be reliable for computing attached flows. However, existing turbulence models are known to be inaccurate for many flows involving separation. Research has been ongoing for decades in an attempt to improve turbulence models for separated and other nonequilibrium flows. When developing or improving turbulence models, both verification and validation are important steps in the process. Verification insures that the CFD code is solving the equations as intended (no errors in the implementation). This is typically done either through the method of manufactured solutions (MMS) or through careful step-by-step comparisons with other verified codes. After the verification step is concluded, validation is performed to document the ability of the turbulence model to represent different types of flow physics. Validation can involve a large number of test case comparisons with experiments, theory, or DNS. Organized workshops have proved to be valuable resources for the turbulence modeling community in its pursuit of turbulence modeling verification and validation. Workshop contributors using different CFD codes run the same cases, often according to strict guidelines, and compare results. Through these comparisons, it is often possible to (1) identify codes that have likely implementation errors, and (2) gain insight into the capabilities and shortcomings of different turbulence models to predict the flow physics associated with particular types of flows. These are valuable lessons because they help bring consistency to CFD codes by encouraging the correction of faulty programming and facilitating the adoption of better models. They also sometimes point to specific areas needed for improvement in the models. In this paper, several recent workshops are summarized primarily from the point of view of turbulence modeling verification and validation. Furthermore, the NASA Langley Turbulence Modeling Resource website is described. The purpose of this site is to provide a central location where RANS turbulence models are documented, and test cases, grids, and data are provided. The goal of this paper is to provide an abbreviated survey of turbulence modeling verification and validation efforts, summarize some of the outcomes, and give some ideas for future endeavors in this area.

Rumsey, Christopher L.↗
NASA NTRS1994

On the Dynamics of Computing a Chemically Relaxed Nonequilibrium Flow

In order to gain insights into the strong dependence of numerical solutions on initial data for finite time steps, a set of nonlinear test problems rich enough to capture the behavior of difference schemes were recently identified and the numerical basins of attraction for these problems were computed using commonly used time discretizations in CFD. Our study revealed a wealth of surprisingly nonlinear behavior of numerical schemes that were not observed before, in particular for the implicit time discretizations that are commonly used in CFD. The goal of this work is to apply these tools to study a practical model from non-equilibrium flowfield relaxation. This type of problem arises in chemically nonequilibrium hypersonic flows such as in a shock tube experiment or an expanding nozzle. Here we consider a reacting mixture of (N2, N) for an inviscid one-dimensional steady model. Preliminary numerical results indicate that, aside from the possibility of spurious numerical solutions being introduced by the time discretizations, limitations on the model for physical or accurate solutions may also play a part in the dynamics observed.

Sweby, P. K.↗
NASA NTRS1989

Nonlocal thermal transport in solar flares. II - Spectroscopic diagnostics

Physical parameters obtained for a flaring solar atmosphere in an earlier paper are used here to predict time-dependent emission-line profiles and integrated intensities as a function of position for two spectral lines commonly observed during solar flares: the X-ray resonance lines of Ca XIX and Mg XI. Considerations of ionization nonequilibrium during the rise phase of the flare are addressed, and the effects on the predicted spectral-line characteristics are discussed. It is concluded that some spectroscopic diagnostics favor the nonlocal model, but other long-standing discrepancies between the numerical models and the observations remain unresolved.

Karpen, Judith T.↗
NASA NTRS1997

Determination of Coronal Magnetic Fields from Vector Magnetograms

During the course of the present contract we developed an 'evolutionary technique' for the determination of force-free coronal magnetic fields from vector magnetograph observations. The method can successfully generate nonlinear force- free fields (with non-constant-a) that match vector magnetograms. We demonstrated that it is possible to determine coronal magnetic fields from photospheric measurements, and we applied it to vector magnetograms of active regions. We have also studied theoretical models of coronal fields that lead to disruptions. Specifically, we have demonstrated that the determination of force-free fields from exact boundary data is a well-posed mathematical problem, by verifying that the computed coronal field agrees with an analytic force-free field when boundary data for the analytic field are used; demonstrated that it is possible to determine active-region coronal magnetic fields from photospheric measurements, by computing the coronal field above active region 5747 on 20 October 1989, AR6919 on 15 November 1991, and AR7260 on 18 August 1992, from data taken with the Stokes Polarimeter at Mees Solar Observatory, University of Hawaii; started to analyze active region 7201 on 19 June 1992 using measurements made with the Advanced Stokes Polarimeter at NSO/Sac Peak; investigated the effects of imperfections in the photospheric data on the computed coronal magnetic field; documented the coronal field structure of AR5747 and compared it to the morphology of footpoint emission in a flare, showing that the 'high- pressure' H-alpha footpoints are connected by coronal field lines; shown that the variation of magnetic field strength along current-carrying field lines is significantly different from the variation in a potential field, and that the resulting near-constant area of elementary flux tubes is consistent with observations; begun to develop realistic models of coronal fields which can be used to study flare trigger mechanisms; demonstrated that magnetic nonequilibrium can disrupt sheared coronal arcades, and that helmet streamers can disrupt, leading to coronal mass ejections. Our model has significantly extended the realism with which the coronal magnetic field can be inferred from actual observations. In a subsequent contract awarded by NASA, we have continued to apply and improve the evolutionary technique, to study the physical properties of active regions, and to develop theoretical models of magnetic fields.

Mikic, Zoran↗
NASA NTRS1989

Computing viscous reactive flow over blunt winged vehicles

A hypersonic flow simulation methodology is developed for analyzing thermochemical nonequilibrium and viscous phenomena associated with space-flight vehicles at realistic conditions. The computer code consists of grid generation, Navier-Stokes and species models, and equation solvers for a complete configuration at arbitrary angles of attack. Provisions are implemented in the code to consider chemically frozen or equilibrium chemistry, inviscid model, conic configurations and simplifications of physical parameters for verifying solution consistency and accuracy. Implications of physical modeling and input parameters on a blunt-cone flow are investigated in details. Applications to USA Orbiter-like vehicles have emphasized the leeside canopy flow as well as the bow-wing shock interaction problem at Mach 22 and 40 deg angle of attack. Comparison of windward centerline pressures and heating rates with available wind-tunnel and flight data is in progress.

Li, C. P.↗
NASA NTRS1989

Conservation equations and physical models for hypersonic air flows over the aeroassist flight experiment vehicle

The code development and application program for the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA), with emphasis directed toward support of the Aeroassist Flight Experiment (AFE) in the near term and Aeroassisted Space Transfer Vehicle (ASTV) design in the long term is reviewed. LAURA is an upwind-biased, point-implicit relaxation algorithm for obtaining the numerical solution to the governing equations for 3-D, viscous, hypersonic flows in chemical and thermal nonequilibrium. The algorithm is derived using a finite volume formulation in which the inviscid components of flux across cell walls are described with Roe's averaging and Harten's entropy fix with second-order corrections based on Yee's Symmetric Total Variation Diminishing scheme. Because of the point-implicit relaxation strategy, the algorithm remains stable at large Courant numbers without the necessity of solving large, block tri-diagonal systems. A single relaxation step depends only on information from nearest neighbors. Predictions for pressure distributions, surface heating, and aerodynamic coefficients compare well with experimental data for Mach 10 flow over an AFE wind tunnel model. Predictions for the hypersonic flow of air in chemical and thermal nonequilibrium over the full scale AFE configuration obtained on a multi-domain grid are discussed.

Gnoffo, Peter A.↗
NASA NTRS1976

Particles, environments, and possible ecologies in the Jovian atmosphere

The possible existence of indigenous Jovian organisms is investigated by characterizing the relevant physical environment of Jupiter, discussing the chromophores responsible for the observed coloration of the planet, and analyzing some permissible ecological niches of hypothetical organisms. Values of the eddy diffusion coefficent are estimated separately for the convective troposphere and the more stable mesosphere, and equilibrium condensation is studied for compounds containing Na, Cl, or both. The photoproduction of chromophores and nonequilibrium organic molecules is analyzed, and the motion of hypothetical organisms is examined along with the diffusion of metabolites and the consequent growth of organisms. Four kinds of organisms are considered: primary photosynthetic autotrophs ('sinkers'), larger autotrophs or heterotrophs that actively maintain their pressure level ('floaters'), organisms that seek out others ('hunters'), and organisms that live at almost pyrolytic depths ('scavengers'). It is concluded that ecological niches for sinkers, floaters, and hunters appear to exist in the Jovian atmosphere.

Sagan, C.↗
NASA NTRS1995

Modeling of nonequilibrium space plasma flows

Godunov-type numerical solution of the 20 moment plasma transport equations. One of the centerpieces of our proposal was the development of a higher order Godunov-type numerical scheme to solve the gyration dominated 20 moment transport equations. In the first step we explored some fundamental analytic properties of the 20 moment transport equations for a low b plasma, including the eigenvectors and eigenvalues of propagating disturbances. The eigenvalues correspond to wave speeds, while the eigenvectors characterize the transported physical quantities. In this paper we also explored the physically meaningful parameter range of the normalized heat flow components. In the second step a new Godunov scheme type numerical method was developed to solve the coupled set of 20 moment transport equations for a quasineutral single-ion plasma. The numerical method and the first results were presented at several national and international meetings and a paper describing the method has been published in the Journal of Computational Physics. To our knowledge this is the first numerical method which is capable of producing stable time-dependent solutions to the full 20 (or 16) moment set of transport equations, including the full heat flow equation. Previous attempts resulted in unstable (oscillating) solutions of the heat flow equations. Our group invested over two man-years into the development and implementation of the new method. The present model solves the 20 moment transport equations for an ion species and thermal electrons in 8 domain extending from a collision dominated to a collisionless region (200 km to 12,000 km). This model has been applied to study O+ acceleration due to Joule heating in the lower ionosphere.

Gombosi, Tamas↗
NASA NTRS1987

Cloud fluid models of gas dynamics and star formation in galaxies

The large dynamic range of star formation in galaxies, and the apparently complex environmental influences involved in triggering or suppressing star formation, challenges the understanding. The key to this understanding may be the detailed study of simple physical models for the dominant nonlinear interactions in interstellar cloud systems. One such model is described, a generalized Oort model cloud fluid, and two simple applications of it are explored. The first of these is the relaxation of an isolated volume of cloud fluid following a disturbance. Though very idealized, this closed box study suggests a physical mechanism for starbursts, which is based on the approximate commensurability of massive cloud lifetimes and cloud collisional growth times. The second application is to the modeling of colliding ring galaxies. In this case, the driving processes operating on a dynamical timescale interact with the local cloud processes operating on the above timescale. The results is a variety of interesting nonequilibrium behaviors, including spatial variations of star formation that do not depend monotonically on gas density.

Struck-Marcell, Curtis↗
NASA NTRS1992

Electron number density profiles for the Aeroassist Flight Experiment

The basic features of a Microwave Reflectometer Ionization Sensor (MRIS) as designed for utilization on the Aeroassist Flight Experiment are described. A parametric study of the effects of trajectory and unknowns in the thermochemical nonequilibrium models for translational and vibrational-electronic energy exchange rates, reaction rates, and the average electronic excitation level of atoms is performed to illustrate how the MRIS data may be employed for code validation. This study, implemented with program LAURA, shows a particular sensitivity of the onset and severity of an electron avalanche phenomena associated with changes in these physical models.

Greendyke, Robert B.↗
NASA NTRS1999

Scale-Similar Models for Large-Eddy Simulations

Scale-similar models employ multiple filtering operations to identify the smallest resolved scales, which have been shown to be the most active in the interaction with the unresolved subgrid scales. They do not assume that the principal axes of the strain-rate tensor are aligned with those of the subgrid-scale stress (SGS) tensor, and allow the explicit calculation of the SGS energy. They can provide backscatter in a numerically stable and physically realistic manner, and predict SGS stresses in regions that are well correlated with the locations where large Reynolds stress occurs. In this paper, eddy viscosity and mixed models, which include an eddy-viscosity part as well as a scale-similar contribution, are applied to the simulation of two flows, a high Reynolds number plane channel flow, and a three-dimensional, nonequilibrium flow. The results show that simulations without models or with the Smagorinsky model are unable to predict nonequilibrium effects. Dynamic models provide an improvement of the results: the adjustment of the coefficient results in more accurate prediction of the perturbation from equilibrium. The Lagrangian-ensemble approach [Meneveau et al., J. Fluid Mech. 319, 353 (1996)] is found to be very beneficial. Models that included a scale-similar term and a dissipative one, as well as the Lagrangian ensemble averaging, gave results in the best agreement with the direct simulation and experimental data.

Sarghini, F.↗
NASA NTRS1992

Vibration dissociation coupling in nonequilibrium flows

The final report on research between North Carolina State University and the NASA Ames Research Center is presented. The research was aimed at using the Schwartz, Slawsky, Herzfeld (SSH) theory to simulate the vibrational relaxation of nitrogen molecules undergoing dissociation or recombination over a wide range of conditions. The results of these simulations were then treated as exact, and they were used to develop a model for the coupled vibration-dissociation process. This new model is simple enough to be used in computational fluid dynamics codes, but still captures the physics of the complex process. The model is used to simulate the flow over typical geometries to test it and to determine how much impact it has on the flow field. The key elements of this research are summarized.

Candler, Graham V.↗
NASA NTRS1994

The effect of fabrication on corrosion in aluminum 2195: Environmental and microstructural considerations

Aluminum alloys containing lithium are particularly attractive to the aerospace structural designer. Lithium's density is only 0.53 g/cc, thus an addition of one weight percent lithium not only increases yield strength, but decreases the density by almost three percent while increasing the modulus by over six percent. The fact that lithium improves these physical properties simultaneously has led to intense study and development of the alloy system. Heretofore, problems in large scale alloy production have retarded commercial development. During the last fifteen years, advances in production technology have rekindled interest in Al-Li alloys, and aluminum suppliers have developed many candidate aerospace materials. However, if these alloys are to be employed successfully, a more complete understanding of their nonequilibrium metallurgy is required. Peel and Starke have each pointed out that an understanding of the weldability of these alloys is a critical step in their implementation. This study addresses the critical lack of information on the environmental compatibility of welded Al 2195 components. Corrosion data for these systems is incomplete, particularly for welded materials exposed to sea water or sea water condensate.

Walsh, Daniel W.↗