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At least 19 records

Direct simulation of compressible reacting flows

A research program for direct numerical simulations of compressible reacting flows is described. Two main research subjects are proposed: the effect of pressure waves on turbulent combustion and the use of direct simulation methods to validate flamelet models for turbulent combustion. The interest of a compressible code to study turbulent combustion is emphasized through examples of reacting shear layer and combustion instabilities studies. The choice of experimental data to compare with direct simulation results is discussed. A tentative program is given and the computation cases to use are described as well as the code validation runs.

Poinsot, Thierry J.↗

A two-equation turbulence model for compressible reacting flows

A two-equation turbulence model (k-epsilon) has been modified to model compressible reacting flows. A compressibility correction model based on modeling the dilatational terms in the Reynolds stress equations has been used. Computations are carried out using the Navier-Stokes solver SPARK which includes a finite rate chemistry model for hydrogen-air combustion. Initially, planar compressible mixing layers are simulated. Comparisons of the predictions with available experimental data and the predictions of a compressible Reynolds stress closure indicate that the model is well suited for the study of such flows. The decrease in the growth rate of the mixing layer with increasing convective Mach number is well predicted. The model is then tested on a three-dimensional supersonic flow problem where solid boundaries are present. An axisymmetric nonreacting mixing layer flow involving dissimilar gases is evaluated next using the model and the predictions are compared with available experimental data. Finally, two reacting turbulent flow configurations have been studied and comparison of predictions and experimental data has been done. The comparisons indicate that the model predicts the overall features of the test cases very well.

Narayan, J. R.↗

Highly-scalable GPU-accelerated compressible reacting flow solver for modeling high-speed flows

Emerging supercomputing systems utilize a combination of central processing units (CPUs) and graphics processing units (GPUs) in an effort to reach exascale capabilities while minimizing the energy footprint of operating such systems. Such heterogeneous machines introduce new challenges for fluids solvers because the hardware architecture and operation of a GPU are fundamentally different from conventional CPUs. In this work, a general approach for efficient implementation of finite-volume based reacting flow solvers on such heterogeneous systems is presented. Three main challenges, namely, data access pattern, thread divergence, and thread safety, are addressed. Since compressible reacting flows require special methods to deal with chemical reactions, hyperbolic and nonlinear convection terms, and the presence of turbulence, specific algorithms that ensure GPU-based efficiency are developed. The approach is demonstrated on the widely available OpenFOAM open source software by modifying core algorithms for GPU accessibility. The scalability of the resulting solver, is demonstrated using practical test cases, including flow through a scramjet engine and the dynamics of a rotating detonation engine. Here, the solver provides near-ideal scaleup on a large number of GPUs (>3000), and extremely efficient use of the GPUs, with throughput nearly a constant even when processing a large number of control volumes.

42 ENGINEERING↗

PeleC: An adaptive mesh refinement solver for compressible reacting flows

Reacting flow simulations for combustion applications require extensive computing capabilities. Leveraging the AMReX library, the Pele suite of combustion simulation tools targets the largest supercomputers available and future exascale machines. We introduce PeleC, the compressible solver in the Pele suite, and detail its capabilities, including complex geometry representation, chemistry integration, and discretization. We present a comparison of development efforts using both OpenACC and AMReX’s C++ performance portability framework for execution on multiple GPU architectures. We discuss relevant details that have allowed PeleC to achieve high performance and scalability. PeleC’s performance characteristics are measured through relevant simulations on multiple supercomputers. The success of PeleC’s design for exascale is exhibited through demonstration of a 160 billion cell simulation and weak scaling onto 100% of Summit, an NVIDIA-based GPU supercomputer at Oak Ridge National Laboratory. Our results provide confidence that PeleC will enable future combustion science simulations with unprecedented fidelity.

97 MATHEMATICS AND COMPUTING↗

A spectral multi-domain technique for viscous compressible reacting flows

The first application of a spectral multidomain method for viscous compressible flow is presented. The method imposes a global flux balance condition at the interface so that high-order continuity of the solution is preserved. The solution scheme can be adapted to the particular requirement in each subdomain. To illustrate these advantages, a Mach 11 shock calculation is presented to study the chemical kinetics initiated as air passes through a fully resolved shock wave.

Macaraeg, M. G.↗

A discontinuous Galerkin spectral element method for compressible reacting flows

High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large-eddy simulations because of their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reacting Navier-Stokes equations. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of the DG approach. The framework, implemented in the spectral element code Nek5000, is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. An entropy-residual based artificial viscosity is added to smooth shocked regions of flow, and a positivity-preserving limiter is implemented to suppress non-physical oscillations. These enhancements support the numerical stability of the hydrodynamic sub-step, which is decoupled from the chemistry integration through a second-order operator splitting method. Here, a series of smooth and discontinuous validation cases are presented in increasing physical and computational complexity for both inviscid and viscous flows. In particular, simulations of canonical one-dimensional and two-dimensional detonations are performed, and the high-order numerical results are validated against available literature data. Additional validation studies are carried out for classical three-dimensional numerical simulations of incompressible and compressible turbulent flows.

Compressible reacting flows↗

Two-equation turbulence model for compressible reacting flows

A two-equation k-epsilon turbulence model is presently modified for applicability to compressible flows by adapting a compressibility correction model. Compressible mixing layer computations show that the reduced growth rate of the mixing layer with increasing convective Mach number is accurately predicted by these means. Preliminary studies of reacting mixing problems involving dissimilar gases show the model's suitability for application to such flows.

Narayan, J. R.↗

A High-Order Discontinuous Galerkin Spectral Element Method for Compressible Reacting Flows

High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large eddy simulations due to their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reactive Euler equations encountered in high-speed combustion. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of DG approach. Thus, the framework is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. The numerical method is implemented within the spectral element solver Nek5000. Validation cases are conducted for both non-reactive and reactive discontinuous flows to demonstrate the solver capability. In particular, canonical one-dimensional and two-dimensional detonation simulations are performed and the high-order numerical results are validated against available literature data.

computational fluid dynamics (CFD)↗

PDF approach for compressible turbulent reacting flows

The objective of the present work is to develop a probability density function (pdf) turbulence model for compressible reacting flows for use with a CFD flow solver. The probability density function of the species mass fraction and enthalpy are obtained by solving a pdf evolution equation using a Monte Carlo scheme. The pdf solution procedure is coupled with a compressible CFD flow solver which provides the velocity and pressure fields. A modeled pdf equation for compressible flows, capable of capturing shock waves and suitable to the present coupling scheme, is proposed and tested. Convergence of the combined finite-volume Monte Carlo solution procedure is discussed, and an averaging procedure is developed to provide smooth Monte-Carlo solutions to ensure convergence. Two supersonic diffusion flames are studied using the proposed pdf model and the results are compared with experimental data; marked improvements over CFD solutions without pdf are observed. Preliminary applications of pdf to 3D flows are also reported.

Hsu, A. T.↗

Probability density function approach for compressible turbulent reacting flows

The objective of the present work is to extend the probability density function (PDF) tubulence model to compressible reacting flows. The proability density function of the species mass fractions and enthalpy are obtained by solving a PDF evolution equation using a Monte Carlo scheme. The PDF solution procedure is coupled with a compression finite-volume flow solver which provides the velocity and pressure fields. A modeled PDF equation for compressible flows, capable of treating flows with shock waves and suitable to the present coupling scheme, is proposed and tested. Convergence of the combined finite-volume Monte Carlo solution procedure is discussed. Two super sonic diffusion flames are studied using the proposed PDF model and the results are compared with experimental data; marked improvements over solutions without PDF are observed.

Hsu, A. T.↗

Radiative interactions in chemically reacting compressible nozzle flows using Monte Carlo simulations

The two-dimensional spatially elliptic Navier-Stokes equations have been used to investigate the radiative interactions in chemically reacting compressible flows of premixed hydrogen and air in an expanding nozzle. The radiative heat transfer term in the energy equation is simulated using the Monte Carlo method (MCM). The nongray model employed is based on the statistical narrow band model with an exponential-tailed inverse intensity distribution. The spectral correlation has been considered in the Monte Carlo formulations. Results obtained demonstrate that the effect of radiation on the flow field is minimal but its effect on the wall heat transfer is significant. Extensive parametric studies are conducted to investigate the effects of equivalence ratio, wall temperature, inlet flow temperature, and the nozzle size on the radiative and conductive wall fluxes.

Liu, J.↗

Ensemble Averaged Probability Density Function (APDF) for Compressible Turbulent Reacting Flows

In this paper, we present a concept of the averaged probability density function (APDF) for studying compressible turbulent reacting flows. The APDF is defined as an ensemble average of the fine grained probability density function (FG-PDF) with a mass density weighting. It can be used to exactly deduce the mass density weighted, ensemble averaged turbulent mean variables. The transport equation for APDF can be derived in two ways. One is the traditional way that starts from the transport equation of FG-PDF, in which the compressible Navier- Stokes equations are embedded. The resulting transport equation of APDF is then in a traditional form that contains conditional means of all terms from the right hand side of the Navier-Stokes equations except for the chemical reaction term. These conditional means are new unknown quantities that need to be modeled. Another way of deriving the transport equation of APDF is to start directly from the ensemble averaged Navier-Stokes equations. The resulting transport equation of APDF derived from this approach appears in a closed form without any need for additional modeling. The methodology of ensemble averaging presented in this paper can be extended to other averaging procedures: for example, the Reynolds time averaging for statistically steady flow and the Reynolds spatial averaging for statistically homogeneous flow. It can also be extended to a time or spatial filtering procedure to construct the filtered density function (FDF) for the large eddy simulation (LES) of compressible turbulent reacting flows.

Shih, Tsan-Hsing↗

Adaptive Mesh Refinement Simulations for Turbulent Reacting Flow

With the increased availability of exascale computing hardware, detailed simulations of realistic devices can be performed at practically relevant time and length scales. Insights into the multiscale driving mechanisms in compressible reacting flow systems with complex geometry, such as combustors, can be used for design optimization and technology improvements. However, to effectively perform these simulations, advanced numerical algorithms must be used to maintain solution accuracy without incurring undue computational costs. PeleC, part of the Pele suite of codes, leverages block-structured adaptive mesh refinement (AMR) through the AMReX library to capture fine-scale flow features in compressible reacting flows. In this talk, we discuss recent improvements to the numerical algorithms, particularly in regard to describing flows at complex boundary structures, and PeleC's performance on exascale computing hardware. We will demonstrate that PeleC is well-suited for modern, extreme-scale, heterogenous compute platforms.

combustion↗

A weighted state redistribution algorithm for embedded boundary grids

State redistribution is an algorithm that stabilizes cut cells for embedded boundary grid methods. This work extends the earlier algorithm in several important ways. First, state redistribution is extended to three spatial dimensions. Second, we discuss several algorithmic changes and improvements motivated by the more complicated cut cell geometries that can occur in higher dimensions. In particular, we introduce a weighted version with less dissipation in an easily generalizable framework. Third, we demonstrate that state redistribution can also stabilize a solution update that includes both advective and diffusive contributions. Notably, the stabilization algorithm is shown to be effective for incompressible as well as compressible reacting flows. Finally, we discuss the implementation of the algorithm for several exascale-ready simulation codes based on AMReX, demonstrating ease of use in combination with domain decomposition, hybrid parallelism and complex physics.

97 MATHEMATICS AND COMPUTING↗

Turbulent reacting flow computations including turbulence-chemistry interactions

A two-equation (k-epsilon) turbulence model has been extended to be applicable for compressible reacting flows. A compressibility correction model based on modeling the dilatational terms in the Reynolds stress equations has been used. A turbulence-chemistry interaction model is outlined. In this model, the effects of temperature and species mass concentrations fluctuations on the species mass production rates are decoupled. The effect of temperature fluctuations is modeled via a moment model, and the effect of concentration fluctuations is included using an assumed beta-pdf model. Preliminary results obtained using this model are presented. A two-dimensional reacting mixing layer has been used as a test case. Computations are carried out using the Navier-Stokes solver SPARK using a finite rate chemistry model for hydrogen-air combustion.

Narayan, J. R.↗

A finite volume method for the calculation of compressible chemically reacting flows

Several efficient pseudo time techniques have been developed for calculating steady state chemically reacting flows. The techniques include the implicit treatment of the chemical source term, point implicit multiple grid accelerator and a constant CFL condition. It turns out that these methods can be viewed as ways of rescaling the equations in time such that all chemical and convective phenomena evolve at comparable pseudo time scales. Consequently the number of iterations needed to solve reacting problems is approximately the same as for non-reacting problems. The techniques are demonstrated for a simple dissociation model and a nontrivial H2 - Air combustion model.

Bussing, T. R. A.↗

Remarks on the stability analysis of reactive flows

A simple model of compressible reacting flow is studied. First, a dispersion relation is derived for the linearized problem making a distinction between frozen and equilibrium sound speed. Second, the stability of the Von Neumann-Richtmyer scheme applied to this model is studied. A natural generalization of the C.F.L. condition is found.

Scheurer, B.↗