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NASA NTRS2010

Modeling of Alkane Oxidation Using Constituents and Species

It is currently not possible to perform simulations of turbulent reactive flows due in particular to complex chemistry, which may contain thousands of reactions and hundreds of species. This complex chemistry results in additional differential equations, making the numerical solution of the equation set computationally prohibitive. Reducing the chemical kinetics mathematical description is one of several important goals in turbulent reactive flow modeling. A chemical kinetics reduction model is proposed for alkane oxidation in air that is based on a parallel methodology to that used in turbulence modeling in the context of the Large Eddy Simulation. The objective of kinetic modeling is to predict the heat release and temperature evolution. This kinetic mechanism is valid over a pressure range from atmospheric to 60 bar, temperatures from 600 K to 2,500 K, and equivalence ratios from 0.125 to 8. This range encompasses diesel, HCCI, and gas-turbine engines, including cold ignition. A computationally efficient kinetic reduction has been proposed for alkanes that has been illustrated for n-heptane using the LLNL heptane mechanism. This model is consistent with turbulence modeling in that scales were first categorized into either those modeled or those computed as progress variables. Species were identified as being either light or heavy. The heavy species were decomposed into defined 13 constituents, and their total molar density was shown to evolve in a quasi-steady manner. The light species behave either in a quasi-steady or unsteady manner. The modeled scales are the total constituent molar density, Nc, and the molar density of the quasi-steady light species. The progress variables are the total constituent molar density rate evolution and the molar densities of the unsteady light species. The unsteady equations for the light species contain contributions of the type gain/loss rates from the heavy species that are modeled consistent with the developed mathematical forms for the total constituent molar density rate evolution; indeed, examination of these gain/loss rates shows that they also have a good quasi-steady behavior with a functional form resembling that of the constituent rate. This finding highlights the fact that the fitting technique provides a methodology that can be repeatedly used to obtain an accurate representation of full or skeletal kinetic models. Assuming success with the modified reduced model, the advantage of the modeling approach is clear. Because this model is based on the Nc rate rather than on that of individual heavy species, even if the number of species increases with increased carbon number in the alkane group, providing that the quasi-steady rate aspect persists, then extension of this model to higher alkanes should be conceptually straightforward, although it remains to be seen if the functional fits would remain valid or would require reconstruction.

Bellan, Jasette↗

NASA NTRSDate not supplied

Assessment of Numerical and Modeling Errors of RANS based Transition Models for Low-Reynolds Numbers 2-D Flows

In this paper we report the outcome of selected workshops organized as part of the NATO Applied Vehicle Technology (AVT)-313 activity Incompressible Laminar-to-Turbulent Flow Transition Study that focused on assessing the numerical and modeling accuracy of the γ−Reθ and γ transition models coupled to the k−ω Shear-Stress Transport (SST) two-equation eddy-viscosity model. Three different test cases involving nominally 2D flow configurations were selected: flow over a flat plate with two different levels of turbulence intensity at the inlet; flow around the Eppler 387 foil at a Reynolds number of 3×10^5 and angles of attack of 1 deg. and 7 deg. flow around the NACA 0015 foil at a Reynolds number of 1.8×10^5 and angles of attack of 5 deg. and10 deg. The flat plate flow conditions correspond to natural and by-pass transition, whereas the other two test cases include laminar separation bubbles that lead to separation-induced transition. For each test case, the selected quantities of interest include both integral and local flow quantities. Geometrically similar grids with a wide range of grid refinement ratios were generated for each of the test cases to allow the estimation of numerical uncertainties for all quantities of interest selected for this study. Several RANS flow solvers were used, employing common grids with the same boundary conditions and mathematical models. Therefore, it is possible to analyze the consistency of the results, i.e., to check if the intervals defined by the different numerical solutions with their respective uncertainties overlap with each other. Modeling errors can also be addressed for the selected flow quantities that have experimental data available. However, the experimental information available in these cases is not sufficient to guarantee that experiments and simulations are performed with the same settings. Nonetheless, the available experimental data is sufficient to guarantee that modeling errors are significantly reduced with the use of the transition models when compared to simulations performed using only the k−ω SST model.

CFD Modeling↗

NASA NTRS1988

Heat pipe dynamic behavior

The vapor flow in a heat pipe was mathematically modeled and the equations governing the transient behavior of the core were solved numerically. The modeled vapor flow is transient, axisymmetric (or two-dimensional) compressible viscous flow in a closed chamber. The two methods of solution are described. The more promising method failed (a mixed Galerkin finite difference method) whereas a more common finite difference method was successful. Preliminary results are presented showing that multi-dimensional flows need to be treated. A model of the liquid phase of a high temperature heat pipe was developed. The model is intended to be coupled to a vapor phase model for the complete solution of the heat pipe problem. The mathematical equations are formulated consistent with physical processes while allowing a computationally efficient solution. The model simulates time dependent characteristics of concern to the liquid phase including input phase change, output heat fluxes, liquid temperatures, container temperatures, liquid velocities, and liquid pressure. Preliminary results were obtained for two heat pipe startup cases. The heat pipe studied used lithium as the working fluid and an annular wick configuration. Recommendations for implementation based on the results obtained are presented. Experimental studies were initiated using a rectangular heat pipe. Both twin beam laser holography and laser Doppler anemometry were investigated. Preliminary experiments were completed and results are reported.

Issacci, F.↗

NASA NTRS1993

Tensoral: A system for post-processing turbulence simulation data

Many computer simulations in engineering and science -- and especially in computational fluid dynamics (CFD) -- produce huge quantities of numerical data. These data are often so large as to make even relatively simple post-processing of this data unwieldy. The data, once computed and quality-assured, is most likely analyzed by only a few people. As a result, much useful numerical data is under-utilized. Since future state-of-the-art simulations will produce even larger datasets, will use more complex flow geometries, and will be performed on more complex supercomputers, data management issues will become increasingly cumbersome. My goal is to provide software which will automate the present and future task of managing and post-processing large turbulence datasets. My research has focused on the development of these software tools -- specifically, through the development of a very high-level language called 'Tensoral'. The ultimate goal of Tensoral is to convert high-level mathematical expressions (tensor algebra, calculus, and statistics) into efficient low-level programs which numerically calculate these expressions given simulation datasets. This approach to the database and post-processing problem has several advantages. Using Tensoral the numerical and data management details of a simulation are shielded from the concerns of the end user. This shielding is carried out without sacrificing post-processor efficiency and robustness. Another advantage of Tensoral is that its very high-level nature lends itself to portability across a wide variety of computing (and supercomputing) platforms. This is especially important considering the rapidity of changes in supercomputing hardware.

Dresselhaus, Eliot↗

NASA NTRS1980

A design procedure for a tension-wire stiffened truss-column

A deployable, tension wire stiffened, truss column configuration was considered for space structure applications. An analytical procedure, developed for design of the truss column and exercised in numerical studies, was based on equivalent beam stiffness coefficients in the classical analysis for an initially imperfect beam column. Failure constraints were formulated to be used in a combined weight/strength and nonlinear mathematical programming automated design procedure to determine the minimum mass column for a particular combination of design load and length. Numerical studies gave the mass characteristics of the truss column for broad ranges of load and length. Comparisons of the truss column with a baseline tubular column used a special structural efficiency parameter for this class of columns.

Greene, W. H.↗

NASA NTRS1975

Investigation A: Numerical solutions of driven vortices of binary fluid in a cylindrical geometry

The steady state laminar motion of a viscous, incompressible and binary fluid is studied for a rotating flow in a cylindrical geometry. The mathematical model employed is a cold flow simulation of the fluid mechanics of the light-bulb concept of the gaseous core nuclear engine. A numerical treatment is developed for the rotating flow which includes a description of the nuclear fuel addition. The problem is formulated with the complete Navier-Stokes equations in order to show the interaction between the fuel addition, the main flow, and the boundary layer flow in an accurate manner. The results presented show holdup of the nuclear fuel for the case of steady fuel addition.

Shin, Y. W.↗

NASA NTRS1992

Rapid Prototyping Of Layered Composite Parts

Numerically controlled cutting accelerates fabrication of layers. Proposed method derived from stereoscopic lithography. CATIA or CAEDS computer program used to generate three-dimensional mathematical model of prototype part. In model, geometry of part specified in layers, as in stereoscopic lithography. Model data for each layer fed to computer-numerically-controlled ultrasonic cutting machine. Sheet of prepreg (uncured composite material) of specified layer thickness placed in machine and cut, under control of model data, to specified shape of layer.

Wolff, Edwin D.↗

NASA NTRS2017

Cause and Cure-Deterioration in Accuracy of CFD Simulations with Use of High-Aspect-Ratio Triangular/Tetrahedral Grids

In the multi-dimensional space-time conservation element and solution element16 (CESE) method, triangles and tetrahedral mesh elements turn out to be the most natural building blocks for 2D and 3D spatial grids, respectively. As such, the CESE method is naturally compatible with the simplest 2D and 3D unstructured grids and thus can be easily applied to solve problems with complex geometries. However, because (a) accurate solution of a high-Reynolds number flow field near a solid wall requires that the grid intervals along the direction normal to the wall be much finer than those in a direction parallel to the wall and, as such, the use of grid cells with extremely high aspect ratio (103 to 106) may become mandatory, and (b) unlike quadrilateral hexahedral grids, it is well-known that accuracy of gradient computations involving triangular tetrahedral grids tends to deteriorate rapidly as cell aspect ratio increases. As a result, the use of triangular tetrahedral grid cells near a solid wall has long been deemed impractical by CFD researchers. In view of (a) the critical role played by triangular tetrahedral grids in the CESE development, and (b) the importance of accurate resolution of high-Reynolds number flow field near a solid wall, as will be presented in the main paper, a comprehensive and rigorous mathematical framework that clearly identifies the reasons behind the accuracy deterioration as described above has been developed for the 2D case involving triangular cells. By avoiding the pitfalls identified by the 2D framework, and its 3D extension, it has been shown numerically.

CFD↗

NASA NTRS1972

The mathematical-physical problem of P prime(f) to N(h) inversion for anisotropic media

The requirements for a numerical inversion method to calculate electron density profiles from ionograms are discussed. A systematic investigation about the independence of the two magnetoionic components shows that the extent to which the range of ambiguity can be reduced depends mainly on the magnetic latitude. Error estimates and first-order corrections for less elaborate methods are included.

Paul, A. K.↗

NASA NTRS1981

Rigorous numerical treatment of the no-slip condition in a vorticity formulation

It is shown that a rigorous mathematical treatment of the boundary conditions for rigid no-slip surfaces requires, in general, that two passes be made in solving Poisson's equation. A Fourier solution procedure was the key to this realization. It is also shown that a corresponding method exists for finite and, for the same local approximation, the usual one step method gives the same result for the geometry considered here. The more fundamental two step method gives a new insight into the physical significance of boundary vorticity.

Gazdag, J.↗

NASA NTRS1994

The analysis of star catalogs. 1: An intercomparison among the FK3, the FK4, and the FK5

Progress in the construction of the fundamental catalogs allows one to ask the following questions: 'Now that we have the FK5 with which to measure by, how good was the FK4? The FK3? How realistic were the error estimates they gave for their equatorial coordinates and their proper motions? Have their residual systematic differences continued to decrease in amplitude?' and so forth. Similar questions could be asked of the GC and the N30, and a companion paper will similarly analyze them. Finally, the identical series of questions could be asked of the AGK2, AGK3, AGK3U sequence. In this paper we develop a general method to objectively investigate, post facto, the true quality of star catalog error estimates. We present a complete mathematical formulation of the questions above and delineate the calculations needed to address them. Our initial numerical applications are restricted to a straightforward examination of the mean errors of the coordinates and proper motions in the FK3 (using the FK4 and the FK5 for comparison) and in the FK4 (using the FK5 for comparison). However, we can simply and consistently interpret the results of these computations -- for the FK catalogs fail to follow the predictions of mathematical statistics -- only if the FK3 and the FK4 contain higher angular frequency systematic errors. These errors, at the mean epochs of place of the older catalogs, are larger than the random errors in the FK5 system. We expect that our new ability to discern these features means that we can also prevent them during compilation. Finally, note that the concepts behind our procedures are completely general and can be applied to any set of compiled data -- astrometric, photometric, geodetic, and so forth.

Bucciarelli, B.↗

NASA NTRS2003

Numerical Study of Pyrolysis of Biomass in Fluidized Beds

A report presents a numerical-simulation study of pyrolysis of biomass in fluidized-bed reactors, performed by use of the mathematical model described in Model of Fluidized Bed Containing Reacting Solids and Gases (NPO-30163), which appears elsewhere in this issue of NASA Tech Briefs. The purpose of the study was to investigate the effect of various operating conditions on the efficiency of production of condensable tar from biomass. The numerical results indicate that for a fixed particle size, the fluidizing-gas temperature is the foremost parameter that affects the tar yield. For the range of fluidizing-gas temperatures investigated, and under the assumption that the pyrolysis rate exceeds the feed rate, the optimum steady-state tar collection was found to occur at 750 K. In cases in which the assumption was not valid, the optimum temperature for tar collection was found to be only slightly higher. Scaling up of the reactor was found to exert a small negative effect on tar collection at the optimal operating temperature. It is also found that slightly better scaling is obtained by use of shallower fluidized beds with greater fluidization velocities.

Bellan, Josette↗

NASA NTRS1985

Numerical solution of the vertical structure equation in the normal mode method

In the present model of multilayered stability stratification, aimed at obtaining the analytic eigensolutions of the vertical structure equation, each layer is characterized by its own static stability value. By requiring continuity of pressure and vertical velocity across each interface level, and by imposing suitable upper and lower boundary conditions, matching eigensolutions are obtained in terms of the Bessel functions. Attention is given to an explicit example of a double-layered stratified atmosphere which demonstrates the mathematical manipulations involved; the resultant vertical structure functions are used to check the accuracy of the numerical solutions by the finite difference and finite element methods.

Sasaki, Y. K.↗

NASA NTRS1988

Multiple boundary condition test (MBCT) - Identification with mode shapes

The multiple boundary condition test (MBCT) approach is a ground test method to test a class of large flexible structures which cannot be ground tested by state-of-the-art test methods due to the adverse terrestrial environment. The ultimate objective of a ground test is considered to be the validation and update of a mathematical model of the structure. The research to date has indicated the MBCT does work on numerical simulations and on experimental laboratory hardware. To date only the eigenvalue has been used in the model correlation/update by inclusion of the information in the nonlinear terms resulting from the difference between the analytical and measured eigenvectors. This paper presents the results of utilizing additional information, namely the difference in the analytical and the test eigenvectors, in the validation and update of the mathematical model.

Kuo, C. P.↗

NASA NTRS1992

Reactant conversion in homogeneous turbulence: Mathematical modeling, computational validations and practical applications

Closed form analytical expressions are obtained for predicting the limited rate of reactant conversion in a binary reaction of the type F + rO yields (1 + r) Product in unpremixed homogeneous turbulence. These relations are obtained by means of a single point Probability Density Function (PDF) method based on the Amplitude Mapping Closure. It is demonstrated that with this model, the maximum rate of the reactants' decay can be conveniently expressed in terms of definite integrals of the Parabolic Cylinder Functions. For the cases with complete initial segregation, it is shown that the results agree very closely with those predicted by employing a Beta density of the first kind for an appropriately defined Shvab-Zeldovich scalar variable. With this assumption, the final results can also be expressed in terms of closed form analytical expressions which are based on the Incomplete Beta Functions. With both models, the dependence of the results on the stoichiometric coefficient and the equivalence ratio can be expressed in an explicit manner. For a stoichiometric mixture, the analytical results simplify significantly. In the mapping closure, these results are expressed in terms of simple trigonometric functions. For the Beta density model, they are in the form of Gamma Functions. In all the cases considered, the results are shown to agree well with data generated by Direct Numerical Simulations (DNS). Due to the simplicity of these expressions and because of nice mathematical features of the Parabolic Cylinder and the Incomplete Beta Functions, these models are recommended for estimating the limiting rate of reactant conversion in homogeneous reacting flows. These results also provide useful insights in assessing the extent of validity of turbulence closures in the modeling of unpremixed reacting flows. Some discussions are provided on the extension of the model for treating more complicated reacting systems including realistic kinetics schemes and multi-scalar mixing with finite rate chemical reactions in more complex configurations.

Madnia, C. K.↗

NASA NTRS1988

Formulation of a General Technique for Predicting Pneumatic Attenuation Errors in Airborne Pressure Sensing Devices

Presented is a mathematical model derived from the Navier-Stokes equations of momentum and continuity, which may be accurately used to predict the behavior of conventionally mounted pneumatic sensing systems subject to arbitrary pressure inputs. Numerical techniques for solving the general model are developed. Both step and frequency response lab tests were performed. These data are compared with solutions of the mathematical model and show excellent agreement. The procedures used to obtain the lab data are described. In-flight step and frequency response data were obtained. Comparisons with numerical solutions of the math model show good agreement. Procedures used to obtain the flight data are described. Difficulties encountered with obtaining the flight data are discussed.

Whitmore, Stephen A.↗

NASA NTRS1995

Numerical Stability In Hyperbolic Boundary-Value Problems

Technical memorandum discusses stability of numerical solutions involving semidiscrete approximations to hyperbolic partial differential equations in initial-and-boundary-value problems. Topic of practical significance because hyperbolic partial differential equations arise in mathematical modeling of waves and blasts. Solutions often needed over restricted regions of unbounded spaces. Outer boundaries artificial, introduced only to limit domains of numerical solutions. Conditions at such artificial boundaries cause numerical instabilities that degrade computed solutions.

Warming, Robert F.↗

NASA NTRS1975

Development of a three-dimensional time-dependent flow field model

A three-dimensional, time-dependent mathematical model to represent Mobile Bay was developed. Computer programs were developed which numerically solve the appropriate conservation equations for predicting bay and estuary flow fields. The model is useful for analyzing the dispersion of sea water into fresh water and the transport of sediment, and for relating field and physical model data.

Farmer, R. C.↗