High-resolution numerical simulation and analysis of Mach reflection structures in detonation waves in low-pressure H₂:O₂:Ar mixtures: a summary of results obtained with adaptive mesh refinement framework AMROC

Numerical simulation can be key to the understanding of the multidimensional nature of transient detonation waves. However, the accurate approximation of realistic detonations is demanding as a wide range of scales needs to be resolved. This paper describes a successful solution strategy that utilizes logically rectangular dynamically adaptive meshes. The hydrodynamic transport scheme and the treatment of the nonequilibrium reaction terms are sketched. A ghost fluid approach is integrated into the method to allow for embedded geometrically complex boundaries. Large-scale parallel simulations of unstable detonation structures of Chapman-Jouguet detonations in low-pressure hydrogen-oxygen-argon mixtures demonstrate the efficiency of the described techniques in practice. In particular, computations of regular cellular structures in two and three space dimensions and their development under transient conditions, that is, under diffraction and for propagation through bends are presented. Some of the observed patterns are classified by shock polar analysis, and a diagram of the transition boundaries between possible Mach reflection structures is constructed

Numerical Structure Analysis of Regular Hydrogen-Oxygen Detonations

Large-scale numerical simulations have been carried out to analyze the internal wave structure of a regular oscillating low-pressure H2 : O2 : Ar-Chapman-Jouguet detonation in two and three space-dimensions. The chemical reaction is modeled with a non-equilibrium mechanism that consists of 34 elementary reactions and uses nine thermally perfect gaseous species. A high local resolution is achieved dynamically at run-time by employing a block-oriented adaptive finite volume method that has been parallelized efficiently for massively parallel machines. Based on a highly resolved two-dimensional simulation we analyze the temporal development of the ow field around a triple point during a detonation cell in great detail. In particular, the influence of the reinitiation phase at the beginning of a detonation cell is discussed. Further on, a successful simulation of the cellular structure in three space-dimensions for the same configuration is presented. The calculation reproduces the experimentally observed three-dimensional mode of propagation called "rectangular-mode-in-phase" with zero phase shift between the transverse waves in both space-directions perpendicular to the detonation front and shows the same oscillation period as the two-dimensional case

Time integration for complex fluid dynamics

2021 Fall.Includes bibliographical references.Efficient and accurate simulation of turbulent combusting flows in complex geometry remains a challenging and computationally expensive proposition. A significant source of computational expense is in the integration of the temporal domain, where small time steps are required for the accurate resolution of chemical reactions and long solution times are needed for many practical applications. To address the small step sizes, a fourth-order implicit-explicit additive Runge-Kutta (ARK4) method is developed to integrate the stiff chemical reactions implicitly while advancing the convective and diffusive physics explicitly in time. Applications involving complex geometry, stiff reaction mechanisms, and high-order spatial discretizations are challenged by stability issues in the numerical solution of the nonlinear problem that arises from the implicit treatment of the stiff term. Techniques for maintaining a physical thermodynamic state during the numerical solution of the nonlinear problem, such as placing constraints on the nonlinear solver and the use of a nonlinear optimizer to find valid thermodynamic states, are proposed and tested. Verification and validation are performed for the new adaptive ARK4 method using lean premixed flames burning hydrogen, showing preservation of 4th-order error convergence and recovery of literature results. ARK4 is then applied to solve lean, premixed C3H8-air combustion in a bluff-body combustor geometry. In the two-dimensional case, ARK4 provides a 70× speedup over the standard explicit four-stage Runge-Kutta method and, for the three-dimensional case, three-orders-of-magnitude-larger time step sizes are achieved. To further increase the computational scaling of the algorithms, parallel-in-time (PinT) techniques are explored. PinT has the dual benefit of providing parallelization to long temporal domains as well as taking advantage of hardware trends towards more concurrency in modern high-performance computing platforms. Specifically, the multigrid reduction-in-time (MGRIT) method is adapted and enhanced by adding adaptive mesh refinement (AMR) in time. This creates a space-time algorithm with efficient solution-adaptive grids. The new MGRIT+AMR algorithm is first verified and validated using problems dominated by diffusion or characterized by time periodicity, such as Couette flow and Stokes second problem. The adaptive space-time parallel algorithm demonstrates up to a 13.7× speedup over a time-sequential algorithm for the same solution accuracy. However, MGRIT has difficulties when applied to solve practical fluid flows, such as turbulence, governed by strong hyperbolic partial differential equations. To overcome this challenge, the multigrid operations are modified and applied in a novel way by exploiting the space-time localization of fine turbulence scales. With these new operators, the coarse-scale errors are advected out of the temporal domain while the fine-scale dynamics iterate to equilibrium. This leads to rapid convergence of the bulk flow, which is important for computing macroscopic properties useful for engineering purposes. The novel multigrid operations are applied to the compressible inviscid Taylor-Green vortex flow and the convergence of the low-frequency modes is achieved within a few iterations. Future work will be focused on a performance study for practical highly turbulent flows

An Application of Gaussian Process Modeling for High-order Accurate Adaptive Mesh Refinement Prolongation

We present a new polynomial-free prolongation scheme for Adaptive Mesh Refinement (AMR) simulations of compressible and incompressible computational fluid dynamics. The new method is constructed using a multi-dimensional kernel-based Gaussian Process (GP) prolongation model. The formulation for this scheme was inspired by the GP methods introduced by A. Reyes et al. (A New Class of High-Order Methods for Fluid Dynamics Simulation using Gaussian Process Modeling, Journal of Scientific Computing, 76 (2017), 443-480; A variable high-order shock-capturing finite difference method with GP-WENO, Journal of Computational Physics, 381 (2019), 189-217). In this paper, we extend the previous GP interpolations and reconstructions to a new GP-based AMR prolongation method that delivers a high-order accurate prolongation of data from coarse to fine grids on AMR grid hierarchies. In compressible flow simulations special care is necessary to handle shocks and discontinuities in a stable manner. To meet this, we utilize the shock handling strategy using the GP-based smoothness indicators developed in the previous GP work by A. Reyes et al. We demonstrate the efficacy of the GP-AMR method in a series of testsuite problems using the AMReX library, in which the GP-AMR method has been implemented

Wavelet-based Adaptive Techniques Applied to Turbulent Hypersonic Scramjet Intake Flows

The simulation of hypersonic flows is computationally demanding due to large gradients of the flow variables caused by strong shock waves and thick boundary or shear layers. The resolution of those gradients imposes the use of extremely small cells in the respective regions. Taking turbulence into account intensives the variation in scales even more. Furthermore, hypersonic flows have been shown to be extremely grid sensitive. For the simulation of three-dimensional configurations of engineering applications, this results in a huge amount of cells and prohibitive computational time. Therefore, modern adaptive techniques can provide a gain with respect to computational costs and accuracy, allowing the generation of locally highly resolved flow regions where they are needed and retaining an otherwise smooth distribution. An h-adaptive technique based on wavelets is employed for the solution of hypersonic flows. The compressible Reynolds averaged Navier-Stokes equations are solved using a differential Reynolds stress turbulence model, well suited to predict shock-wave-boundary-layer interactions in high enthalpy flows. Two test cases are considered: a compression corner and a scramjet intake. The compression corner is a classical test case in hypersonic flow investigations because it poses a shock-wave-turbulent-boundary-layer interaction problem. The adaptive procedure is applied to a two-dimensional confguration as validation. The scramjet intake is firstly computed in two dimensions. Subsequently a three-dimensional geometry is considered. Both test cases are validated with experimental data and compared to non-adaptive computations. The results show that the use of an adaptive technique for hypersonic turbulent flows at high enthalpy conditions can strongly improve the performance in terms of memory and CPU time while at the same time maintaining the required accuracy of the results.Comment: 26 pages, 29 Figures, submitted to AIAA Journa

A new generalized domain decomposition strategy for the efficient parallel solution of the FDS-pressure equation. Part I: Theory, Concept and Implementation

Due to steadily increasing problem sizes and accuracy requirements as well as storage restrictions on single-processor systems, the efficient numerical simulation of realistic fire scenarios can only be obtained on modern high-performance computers based on multi-processor architectures. The transition to those systems requires the elaborate parallelization of the underlying numerical concepts which must guarantee the same result as a potentially corresponding serial execution and preserve the convergence order of the original serial method. Because of its low degree of inherent parallelizm, especially the efficient parallelization of the elliptic pressure equation is still a big challenge in many simulation programs for fire-induced flows such as the Fire Dynamics Simulator (FDS). In order to avoid losses of accuracy or numerical instabilities, the parallelization process must definitely take into account the strong global character of the physical pressure. The current parallel FDS solver is based on a relatively coarse-grained parallellization concept which can’t guarantee these requirements in all cases. Therefore, an alternative parallel pressure solver, ScaRC, is proposed which ensures a high degree of global coupling and a good computational performance at the same time. Part I explains the theory, concept and implementation of this new strategy, whereas Part II describes a series of validation and verification tests to proof its correctness

A parallel adaptive mesh refinement algorithm

Over recent years, Adaptive Mesh Refinement (AMR) algorithms which dynamically match the local resolution of the computational grid to the numerical solution being sought have emerged as powerful tools for solving problems that contain disparate length and time scales. In particular, several workers have demonstrated the effectiveness of employing an adaptive, block-structured hierarchical grid system for simulations of complex shock wave phenomena. Unfortunately, from the parallel algorithm developer's viewpoint, this class of scheme is quite involved; these schemes cannot be distilled down to a small kernel upon which various parallelizing strategies may be tested. However, because of their block-structured nature such schemes are inherently parallel, so all is not lost. In this paper we describe the method by which Quirk's AMR algorithm has been parallelized. This method is built upon just a few simple message passing routines and so it may be implemented across a broad class of MIMD machines. Moreover, the method of parallelization is such that the original serial code is left virtually intact, and so we are left with just a single product to support. The importance of this fact should not be underestimated given the size and complexity of the original algorithm

HPCCP/CAS Workshop Proceedings 1998

This publication is a collection of extended abstracts of presentations given at the HPCCP/CAS (High Performance Computing and Communications Program/Computational Aerosciences Project) Workshop held on August 24-26, 1998, at NASA Ames Research Center, Moffett Field, California. The objective of the Workshop was to bring together the aerospace high performance computing community, consisting of airframe and propulsion companies, independent software vendors, university researchers, and government scientists and engineers. The Workshop was sponsored by the HPCCP Office at NASA Ames Research Center. The Workshop consisted of over 40 presentations, including an overview of NASA's High Performance Computing and Communications Program and the Computational Aerosciences Project; ten sessions of papers representative of the high performance computing research conducted within the Program by the aerospace industry, academia, NASA, and other government laboratories; two panel sessions; and a special presentation by Mr. James Bailey

A local anisotropic adaptive algorithm for the solution of low-Mach transient combustion problems

A novel numerical algorithm for the simulation of transient combustion problems at low Mach and moderately high Reynolds numbers is presented. These problems are often characterized by the existence of a large disparity of length and time scales, resulting in the development of directional flow features, such as slender jets, boundary layers, mixing layers, or flame fronts. This makes local anisotropic adaptive techniques quite advantageous computationally. In this work we propose a local anisotropic refinement algorithm using, for the spatial discretization, unstructured triangular elements in a finite element framework. For the time integration, the problem is formulated in the context of semi-Lagrangian schemes, introducing the semi-Lagrange-Galerkin (SLG) technique as a better alternative to the classical semi-Lagrangian (SL) interpolation. The good performance of the numerical algorithm is illustrated by solving a canonical laminar combustion problem: the flame/vortex interaction. First, a premixed methane-air flame/vortex interaction with simplified transport and chemistry description (Test I) is considered. Results are found to be in excellent agreement with those in the literature, proving the superior performance of the SLG scheme when compared with the classical SL technique, and the advantage of using anisotropic adaptation instead of uniform meshes or isotropic mesh refinement. As a more realistic example, we then conduct simulations of non-premixed hydrogenair flame/ vortex interactions (Test II) using a more complex combustion model which involves state-of-the-art transport and chemical kinetics. In addition to the analysis of the numerical features, this second example allows us to perform a satisfactory comparison with experimental visualizations taken from the literature.This research has been partially funded by projects MTM2010-18079 and CSD2010-00011 (CONSOLIDER-INGENIO) of the Spanish "Ministerio de Economía y Competitividad". The authors would like to thank Professors A. Liñán and R. Bermejo their priceless dedication and fruitful discussions, which have tremendously helped in our understanding of the physical phenomena involved in combustion problems, and in the development of the numerical methods suitable for integrating the equations of fluid mechanics