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Numerical Simulations of High-Speed Chemically Reacting Flow

The Essentially NonOscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗

An Investigation of High-Order Shock-Capturing Methods for Computational Aeroacoustics

This project is motivated by the desire to develop numerical methods that will be useful in the study of compressible flows that exhibit aeroacoustic phenomena. Solutions to linear problems have been investigated through the development of a computer code based on the recent dispersion-relation-preserving (DRP) methodology. In regard to nonlinear problems, the class of essentially nonoscillatory (ENO) schemes have been considered as the primary candidates for solving aeroacoustic problems in which discontinuities are involved. Discontinuities in the solution itself (e.g. shocks) as well as in the geometry on which the problem is defined have been studied. Two-dimensional nonlinear problems were considered in order to determine if the one-dimensional results obtained in the first phase of this project were extendable to more realistic problems. Conclusions have been drawn in regard to the ability to numerically predict solutions of nonlinear problems with shocks to high-order accuracy.

Casper, Jay↗

Using High-Order Methods on Lower-Order Geometries

The desire to obtain acoustic information from the numerical solution of a nonlinear system of equations is a demanding proposition for a computational algorithm. High-order accuracy is required for the propagation of high-frequency, low-amplitude waves. The accuracy of an algorithm can be compromised by low-order errors that naturally occur in the solution of a particular problem. Such errors arise from two sources: the presence of discontinuities in the flow field or because the geometry on which the problem is defined is not everywhere smooth to the order of the scheme. The performance of high-order accurate essentially non-oscillatory (ENO) schemes on piecewise smooth solutions is well documented. Herein, the performance of these methods on smooth solutions defined on piecewise smooth geometries is investigated. The propagation of sound in a quasi-one-dimensional nozzle is considered as a test case. Some of the issues involved in the extension to two spatial dimensions are discussed.

Casper, Jay↗

Numerical Simulations of High-Speed Chemically Reacting Flow

The essentially nonoscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗

Multi-Dimensional High Order Essentially Non-Oscillatory Finite Difference Methods in Generalized Coordinates

This project is about the development of high order, non-oscillatory type schemes for computational fluid dynamics. Algorithm analysis, implementation, and applications are performed. Collaborations with NASA scientists have been carried out to ensure that the research is relevant to NASA objectives. The combination of ENO finite difference method with spectral method in two space dimension is considered, jointly with Cai [3]. The resulting scheme behaves nicely for the two dimensional test problems with or without shocks. Jointly with Cai and Gottlieb, we have also considered one-sided filters for spectral approximations to discontinuous functions [2]. We proved theoretically the existence of filters to recover spectral accuracy up to the discontinuity. We also constructed such filters for practical calculations.

Shu, Chi-Wang↗

High Order Approximations for Compressible Fluid Dynamics on Unstructured and Cartesian Meshes

The development of high-order accurate numerical discretization techniques for irregular domains and meshes is often cited as one of the remaining challenges facing the field of computational fluid dynamics. In structural mechanics, the advantages of high-order finite element approximation are widely recognized. This is especially true when high-order element approximation is combined with element refinement (h-p refinement). In computational fluid dynamics, high-order discretization methods are infrequently used in the computation of compressible fluid flow. The hyperbolic nature of the governing equations and the presence of solution discontinuities makes high-order accuracy difficult to achieve. Consequently, second-order accurate methods are still predominately used in industrial applications even though evidence suggests that high-order methods may offer a way to significantly improve the resolution and accuracy for these calculations. To address this important topic, a special course was jointly organized by the Applied Vehicle Technology Panel of NATO's Research and Technology Organization (RTO), the von Karman Institute for Fluid Dynamics, and the Numerical Aerospace Simulation Division at the NASA Ames Research Center. The NATO RTO sponsored course entitled "Higher Order Discretization Methods in Computational Fluid Dynamics" was held September 14-18, 1998 at the von Karman Institute for Fluid Dynamics in Belgium and September 21-25, 1998 at the NASA Ames Research Center in the United States. During this special course, lecturers from Europe and the United States gave a series of comprehensive lectures on advanced topics related to the high-order numerical discretization of partial differential equations with primary emphasis given to computational fluid dynamics (CFD). Additional consideration was given to topics in computational physics such as the high-order discretization of the Hamilton-Jacobi, Helmholtz, and elasticity equations. This volume consists of five articles prepared by the special course lecturers. These articles should be of particular relevance to those readers with an interest in numerical discretization techniques which generalize to very high-order accuracy. The articles of Professors Abgrall and Shu consider the mathematical formulation of high-order accurate finite volume schemes utilizing essentially non-oscillatory (ENO) and weighted essentially non-oscillatory (WENO) reconstruction together with upwind flux evaluation. These formulations are particularly effective in computing numerical solutions of conservation laws containing solution discontinuities. Careful attention is given by the authors to implementational issues and techniques for improving the overall efficiency of these methods. The article of Professor Cockburn discusses the discontinuous Galerkin finite element method. This method naturally extends to high-order accuracy and has an interpretation as a finite volume method. Cockburn addresses two important issues associated with the discontinuous Galerkin method: controlling spurious extrema near solution discontinuities via "limiting" and the extension to second order advective-diffusive equations (joint work with Shu). The articles of Dr. Henderson and Professor Schwab consider the mathematical formulation and implementation of the h-p finite element methods using hierarchical basis functions and adaptive mesh refinement. These methods are particularly useful in computing high-order accurate solutions containing perturbative layers and corner singularities. Additional flexibility is obtained using a mortar FEM technique whereby nonconforming elements are interfaced together. Numerous examples are given by Henderson applying the h-p FEM method to the simulation of turbulence and turbulence transition.

Barth, Timothy↗

Spurious Numerical Oscillations in Numerical Simulation of Supersonic Flows Using Shock Capturing Schemes

The numerical simulation of transitional and turbulent processes in hypersonic boundary layers often involves a physical process of a shock-disturbance wave interaction in complex two-dimensional and three-dimensional flow fields. For such simulations, it is required that there be a high order of accuracy in capturing both the shock and the small disturbances. The purpose of this paper is to evaluate the viability of using high order shock capturing schemes to track small disturbances in a multi-dimensional steady hypersonic flow. The numerical methods that are to be studied are the Total Variation Diminishing (TVD) scheme, and Essentially Non-Oscillatory (ENO) scheme. This paper shows that the presence of numerical oscillations in the flow field solution may drastically hinder any attempt at tracking the propagation of any physical disturbances. It has been found that the numerical oscillations that exist for shock capturing methods may be significant enough to pollute a flow field containing small physical disturbances. The effects of the refinement of the grid do not reduce the oscillations, but rather they decrease the wavelength of the oscillations. It is shown that by aligning the shock with the grid, the amplitude of these spurious oscillations may be greatly reduced.

Lee, Theodore K.↗

Accuracy Study of the Space-Time CE/SE Method for Computational Aeroacoustics Problems Involving Shock Waves

The space-time conservation element and solution element(CE/SE) method is used to study the sound-shock interaction problem. The order of accuracy of numerical schemes is investigated. The linear model problem.govemed by the 1-D scalar convection equation, sound-shock interaction problem governed by the 1-D Euler equations, and the 1-D shock-tube problem which involves moving shock waves and contact surfaces are solved to investigate the order of accuracy of numerical schemes. It is concluded that the accuracy of the CE/SE numerical scheme with designed 2nd-order accuracy becomes 1st order when a moving shock wave exists. However, the absolute error in the CE/SE solution downstream of the shock wave is on the same order as that obtained using a fourth-order accurate essentially nonoscillatory (ENO) scheme. No special techniques are used for either high-frequency low-amplitude waves or shock waves.

Wang, Xiao Yen↗

High Order Discontinuous Gelerkin Methods for Convection Dominated Problems with Application to Aeroacoustics

This project is about the investigation of the development of the discontinuous Galerkin finite element methods, for general geometry and triangulations, for solving convection dominated problems, with applications to aeroacoustics. On the analysis side, we have studied the efficient and stable discontinuous Galerkin framework for small second derivative terms, for example in Navier-Stokes equations, and also for related equations such as the Hamilton-Jacobi equations. This is a truly local discontinuous formulation where derivatives are considered as new variables. On the applied side, we have implemented and tested the efficiency of different approaches numerically. Related issues in high order ENO and WENO finite difference methods and spectral methods have also been investigated. Jointly with Hu, we have presented a discontinuous Galerkin finite element method for solving the nonlinear Hamilton-Jacobi equations. This method is based on the RungeKutta discontinuous Galerkin finite element method for solving conservation laws. The method has the flexibility of treating complicated geometry by using arbitrary triangulation, can achieve high order accuracy with a local, compact stencil, and are suited for efficient parallel implementation. One and two dimensional numerical examples are given to illustrate the capability of the method. Jointly with Hu, we have constructed third and fourth order WENO schemes on two dimensional unstructured meshes (triangles) in the finite volume formulation. The third order schemes are based on a combination of linear polynomials with nonlinear weights, and the fourth order schemes are based on combination of quadratic polynomials with nonlinear weights. We have addressed several difficult issues associated with high order WENO schemes on unstructured mesh, including the choice of linear and nonlinear weights, what to do with negative weights, etc. Numerical examples are shown to demonstrate the accuracies and robustness of the methods for shock calculations. Jointly with P. Montarnal, we have used a recently developed energy relaxation theory by Coquel and Perthame and high order weighted essentially non-oscillatory (WENO) schemes to simulate the Euler equations of real gas. The main idea is an energy decomposition under the form epsilon = epsilon(sub 1) + epsilon(sub 2), where epsilon(sub 1) is associated with a simpler pressure law (gamma)-law in this paper) and the nonlinear deviation epsilon(sub 2) is convected with the flow. A relaxation process is performed for each time step to ensure that the original pressure law is satisfied. The necessary characteristic decomposition for the high order WENO schemes is performed on the characteristic fields based on the epsilon(sub l) gamma-law. The algorithm only calls for the original pressure law once per grid point per time step, without the need to compute its derivatives or any Riemann solvers. Both one and two dimensional numerical examples are shown to illustrate the effectiveness of this approach.

Shu, Chi-Wang↗

Effect of Under-Resolved Grids on High Order Methods

There has been much discussion on verification and validation processes for establishing the credibility of CFD simulations. Since the early 1990s, many of the aeronautical and mechanical engineering related reference journals mandated that any accepted articles in numerical simulations (without known solutions to compared with) need to perform a minimum of one level of grid refinement and time step reduction. Due to the difficulty in analysis, the effect of under-resolved grids and the nonlinear behavior of available spatial discretizations, are scarcely discussed in the literature. Here, an under-resolved numerical simulation is one where the grid spacing being used is too coarse to resolve the smallest physically relevant scales of the chosen continuum governing equations that are of interest to the numerical modeler. With the advent of new developments in fourth-order or higher spatial schemes, it has become common to regard high order schemes as more accurate, reliable and require less grid points. The danger comes when one tries to perform computations with the coarsest grid possible while still hoping to maintain numerical results sufficiently accurate for complex flows, and especially, data-limited problems. On one hand, high order methods when applies to highly coupled multidimensional complex nonlinear problems might have different stability, convergence and reliability behavior than their well studied low order counterparts, especially for nonlinear schemes such as TVD, MUSCL with limiters, ENO, WENO and discrete Galerkin. On the other hand, high order methods involve more operation counts and systematic grid convergence study can be time consuming and prohibitively expansive. At the same time it is difficult to fully understand or categorize the different nonlinear behavior of finite discretizations, especially at the limits of under-resolution when different types of bifurcation phenomena might occur, depending on the combination of grid spacings, time steps, initial conditions and numerical treatments of boundary conditions.

Yee, H. C.↗

Transition In Supersonic Flows With Corners

It is proposed to investigate the effect of sudden change in the slope of the surface on the stability and transition onset point in supersonic and hypersonic boundary layers. Since we can not use the linear stability theory in flows where there are discontinuities we have to solve the full Navier-Stokes equations to determine the amplification of the disturbances across the oblique shock which exists at the corner. We will use the Navier-Stokes code which was developed by Dr. Harold Atkins in the aerodynamic and acoustic methods branch. The code is developed using the higher order ENO scheme and is currently set up for two-dimensional flows. In the first year of our investigation, we will investigate the evolution of small amplitude two-dimensional disturbances and determine the N-factors for the most amplified disturbances. We will perform the analysis for the parameter similar to X-31 model and flight experiment conditions. From these computation we will infer what is the maximum amplification rate possible in quite environments without any tripping devices. In the second part of the investigation, we will perform nonlinear computations to determine what is the minimum amplitudes necessary to cause the transition at a designed location. In the third part, we have to determine what kind of trip devices necessary to excite the required disturbances. The principal investigator of this project is Dr. P. Balakumar, Associate Professor of Department of Aerospace Engineering, Old Dominion University. We will actively collaborate with research scientists in the Aero-Thermodynamics Branch at NASA/Langley Research Center. A half-time graduate student will also participate in the project.

Balakumar, P.↗

Grid Convergence of High Order Methods for Multiscale Complex Unsteady Viscous Compressible Flows

Grid convergence of several high order methods for the computation of rapidly developing complex unsteady viscous compressible flows with a wide range of physical scales is studied. The recently developed adaptive numerical dissipation control high order methods referred to as the ACM and wavelet filter schemes are compared with a fifth-order weighted ENO (WENO) scheme. The two 2-D compressible full Navier-Stokes models considered do not possess known analytical and experimental data. Fine grid solutions from a standard second-order TVD scheme and a MUSCL scheme with limiters are used as reference solutions. The first model is a 2-D viscous analogue of a shock tube problem which involves complex shock/shear/boundary-layer interactions. The second model is a supersonic reactive flow concerning fuel breakup. The fuel mixing involves circular hydrogen bubbles in air interacting with a planar moving shock wave. Both models contain fine scale structures and are stiff in the sense that even though the unsteadiness of the flows are rapidly developing, extreme grid refinement and time step restrictions are needed to resolve all the flow scales as well as the chemical reaction scales.

Sjoegreen, B.↗

Numerical Simulations of Acoustically Driven, Burning Droplets

This computational study focuses on understanding and quantifying the effects of external acoustical perturbations on droplet combustion. A one-dimensional, axisymmetric representation of the essential diffusion and reaction processes occurring in the vicinity of the droplet stagnation point is used here in order to isolate the effects of the imposed acoustic disturbance. The simulation is performed using a third order accurate, essentially non-oscillatory (ENO) numerical scheme with a full methanol-air reaction mechanism. Consistent with recent microgravity and normal gravity combustion experiments, focus is placed on conditions where the droplet is situated at a velocity antinode in order for the droplet to experience the greatest effects of fluid mechanical straining of flame structures. The effects of imposed sound pressure level and frequency are explored here, and conditions leading to maximum burning rates are identified.

Kim, H.-C.↗

Performance of Several High Order Numerical Methods for Supersonic Combustion

The performance of two recently developed numerical methods by Yee et al. and Sjoegreen and Yee using postprocessing nonlinear filters is examined for a 2-D multiscale viscous supersonic react-live flow. These nonlinear filters can improve nonlinear instabilities and at the same time can capture shock/shear waves accurately. They do not, belong to the class of TVD, ENO or WENO schemes. Nevertheless, they combine stable behavior at discontinuities and detonation without smearing the smooth parts of the flow field. For the present study, we employ a fourth-order Runge-Kutta in time and a sixth-order non-dissipative spatial base scheme for the convection and viscous terms. We denote the resulting nonlinear filter schemes ACM466-RK4 and WAV66-RK4.

Sjoegreen, Bjoern↗

Computations of Flow Over the Hump Model Using Higher-Order Method With Turbulence Modeling

The flow over the two-dimensional hump model is computed by solving the RANS equations with kappa-omega (SST) model. The governing equations, the flow equations and the turbulent equations, are solved using the 5th order accurate weighted essentially non-oscillatory (WENO) scheme for space discretization and using explicit third order total-variation-diminishing (TVD) Runge-Kutta scheme for time integration. The WENO and the TVD methods and the formulas are explained in [1] and the application of ENO method to N-S equations is given in [2]. The solution method implemented in this computation is described in detail in [3].

Balakumar, P.↗

Hybrid LES/RANS Simulation of Transverse Sonic Injection into a Mach 2 Flow

A computational study of transverse sonic injection of air and helium into a Mach 1.98 cross-flow is presented. A hybrid large-eddy simulation / Reynolds-averaged Navier-Stokes (LES/RANS) turbulence model is used, with the two-equation Menter baseline (Menter-BSL) closure for the RANS part of the flow and a Smagorinsky-type model for the LES part of the flow. A time-dependent blending function, dependent on modeled turbulence variables, is used to shift the closure from RANS to LES. Turbulent structures are initiated and sustained through the use of a recycling / rescaling technique. Two higher-order discretizations, the Piecewise Parabolic Method (PPM) of Colella and Woodward, and the SONIC-A ENO scheme of Suresh and Huyhn are used in the study. The results using the hybrid model show reasonably good agreement with time-averaged Mie scattering data and with experimental surface pressure distributions, even though the penetration of the jet into the cross-flow is slightly over-predicted. The LES/RANS results are used to examine the validity of commonly-used assumptions of constant Schmidt and Prandtl numbers in the intense mixing zone downstream of the injection location.

Boles, John A.↗