HPC-enabling technologies for high-fidelity combustion simulations

With the increase in computational power in the last decade and the forthcoming Exascale supercomputers, a new horizon in computational modelling and simulation is envisioned in combustion science. Considering the multiscale and multiphysics characteristics of turbulent reacting flows, combustion simulations are considered as one of the most computationally demanding applications running on cutting-edge supercomputers. Exascale computing opens new frontiers for the simulation of combustion systems as more realistic conditions can be achieved with high-fidelity methods. However, an efficient use of these computing architectures requires methodologies that can exploit all levels of parallelism. The efficient utilization of the next generation of supercomputers needs to be considered from a global perspective, that is, involving physical modelling and numerical methods with methodologies based on High-Performance Computing (HPC) and hardware architectures. This review introduces recent developments in numerical methods for large-eddy simulations (LES) and direct-numerical simulations (DNS) to simulate combustion systems, with focus on the computational performance and algorithmic capabilities. Due to the broad scope, a first section is devoted to describe the fundamentals of turbulent combustion, which is followed by a general description of state-of-the-art computational strategies for solving these problems. These applications require advanced HPC approaches to exploit modern supercomputers, which is addressed in the third section. The increasing complexity of new computing architectures, with tightly coupled CPUs and GPUs, as well as high levels of parallelism, requires new parallel models and algorithms exposing the required level of concurrency. Advances in terms of dynamic load balancing, vectorization, GPU acceleration and mesh adaptation have permitted to achieve highly-efficient combustion simulations with data-driven methods in HPC environments. Therefore, dedicated sections covering the use of high-order methods for reacting flows, integration of detailed chemistry and two-phase flows are addressed. Final remarks and directions of future work are given at the end. }The research leading to these results has received funding from the European Union’s Horizon 2020 Programme under the CoEC project, grant agreement No. 952181 and the CoE RAISE project grant agreement no. 951733.Peer ReviewedPostprint (published version

Institute for Computational Mechanics in Propulsion (ICOMP)

The Institute for Computational Mechanics in Propulsion (ICOMP) is operated by the Ohio Aerospace Institute (OAI) and funded under a cooperative agreement by the NASA Lewis Research Center in Cleveland, Ohio. The purpose of ICOMP is to develop techniques to improve problem-solving capabilities in all aspects of computational mechanics related to propulsion. This report describes the activities at ICOMP during 1994

Computer aided design of extrusion forming tools for complex geometry profiles

Tese de doutoramento em Science and Polymer Engineering and CompositesIn the profile extrusion, the experience of the die designer is crucial for obtaining good results. In industry, it is quite usual the need of several experimental trials for a specific extrusion die before a balanced flow distribution is obtained. This experimental based trial-and-error procedure is time and money consuming, but, it works, and most of the profile extrusion companies rely on such method. However, the competition is forcing the industry to look for more effective procedures and the design of profile extrusion dies is not an exception. For this purpose, computer aided design seems to be a good route. Nowadays, the available computational rheology numerical codes allow the simulation of complex fluid flows. This permits the die designer to evaluate and to optimize the flow channel, without the need to have a physical die and to perform real extrusion trials. In this work, a finite volume based numerical code was developed, for the simulation of non-Newtonian (inelastic) fluid and non-isothermal flows using unstructured meshes. The developed code is able to model the forming and cooling stages of profile extrusion, and can be used to aid the design of forming tools used in the production of complex profiles. For the code verification three benchmark problems were tested: flow between parallel plates, flow around a cylinder, and the lid driven cavity flow. The code was employed to design two extrusion dies to produce complex cross section profiles: a medical catheter die and a wood plastic composite profile for decking applications. The last was experimentally validated. Simple extrusion dies used to produced L and T shaped profiles were studied in detail, allowing a better understanding of the effect of the main geometry parameters on the flow distribution. To model the cooling stage a new implicit formulation was devised, which allowed the achievement of better convergence rates and thus the reduction of the computation times. Having in mind the solution of large dimension problems, the code was parallelized using graphics processing units (GPUs). Speedups of ten times could be obtained, drastically decreasing the time required to obtain results.No processo de extrusão de perfis, a experiência do projetista é crucial para a obtenção de bons resultados. Na indústria, é bastante usual serem necessárias várias modificações na geometria do canal de fluxo da cabeça de extrusão para a obtenção de distribuição de fluxo equilibrada. Geralmente, o procedimento é baseado num processo de tentativa-e-erro, que consome muito tempo e dinheiro, mas funciona, e muitas das empresas de extrusão utilizam esta metodologia. A concorrência tem forçando a indústria a procurar procedimentos mais eficientes, e o projeto de cabeças de extrusão não é exceção. Para este efeito, o projeto assistido por computador parece ser uma boa via. Atualmente, os códigos numéricos de reologia computacional permitem simular escoamentos de fluidos complexos. Este facto permite ao projetista avaliar e otimizar o canal de fluxo, sem a necessidade de ter, fisicamente, uma cabeça de extrusão e fazer testes experimentais. Neste trabalho foi desenvolvido um código numérico baseado no método dos volumes finitos, para a simulação de escoamentos de fluídos não-Newtonianos (inelásticos) e não isotérmicos, usando malhas não estruturadas. O código desenvolvido é capaz de modelar as etapas de extrusão e arrefecimento do perfil extrudido, e pode ser usado para auxiliar o projeto de ferramentas de extrusão empregues na produção de perfis complexos. Para verificar o código foram testados três problemas de referência: fluxo entre placas paralelas, fluxo à volta de cilindro e escoamento em cavidade bidimensional. O código foi usado no projeto de duas cabeças de extrusão para a produção de perfis de secção transversal com geometria complexa: um cateter para aplicações médicas e um perfil em madeira compósita para aplicações em pisos de áreas externas. A última foi validada experimentalmente. O desempenho de cabeças de extrusão para a produção de perfis simples, em forma de L e T, foi estudado em detalhe, permitindo compreender o efeito dos principais parâmetros geométricos na distribuição do fluxo. Para modelar o arrefecimento foi desenvolvida uma nova implementação implícita, que permitiu obter melhores taxas de convergência e consequentes reduções de tempos de cálculo. Tendo em mente a resolução de problemas de grandes dimensões, o código foi paralelizado em placas gráficas (GPUs). Com esta melhoria obtiveram-se acelerações de cálculo em cerca de dez vezes, diminuindo drasticamente os tempos necessários para efetuar as simulações

Simulation of shear-driven flows:transition with a free surface and confined turbulence

The research work reported in the present dissertation is aimed at the analysis of complex physical phenomena involving instabilities and nonlinearities occurring in fluids through state-of-the-art numerical modeling. Solutions of intricate fluid physics problems are devised in two particularly arduous situations: fluid domains with moving boundaries and the high-Reynolds-number regime dominated by nonlinear convective effects. Shear-driven flows of incompressible Newtonian fluids enclosed in cavities of varying geometries are thoroughly investigated in the two following frameworks: transition with a free surface and confined turbulence. The physical system we consider is made of an incompressible Newtonian fluid filling a bounded, or partially bounded cavity. A series of shear-driven flows are easily generated by setting in motion some part of the container boundary. These driven-cavity flows are not only technologically important, they are of great scientific interest because they display almost all physical fluid phenomena that can possibly occur in incompressible flows, and this in the simplest geometrical settings. Thus corner eddies, secondary flows, longitudinal vortices, complex three-dimensional patterns, chaotic particle motions, nonuniqueness, transition, and turbulence all occur naturally and can be studied in the same geometry. This facilitates the comparison of results from experiments, analysis, and computation over the whole range of Reynolds numbers. The flows under consideration are part of a larger class of confined flows driven by linear or angular momentum gradients. This dissertation reports a detailed study of a novel numerical method developed for the simulation of an unsteady free-surface flow in three-space-dimensions. This method relies on a moving-grid technique to solve the Navier-Stokes equations expressed in the arbitrary Lagrangian-Eulerian (ALE) kinematics and discretized by the spectral element method. A comprehensive analysis of the continuous and discretized formulations of the general problem in the ALE frame, with nonlinear, non-homogeneous and unsteady boundary conditions is presented. In this dissertation, we first consider in the internal turbulent flow of a fluid enclosed in a bounded cubical cavity driven by the constant translation of its lid. The solution of this flow relied on large-eddy simulations, which served to improve our physical understanding of this complex flow dynamics. Subsequently, a novel subgrid model based on approximate deconvolution methods coupled with a dynamic mixed scale model was devised. The large-eddy simulation of the lid-driven cubical cavity flow based on this novel subgrid model has shown improvements over traditional subgrid-viscosity type of models. Finally a new interpretation of approximate deconvolution models when used with implicit filtering as a way to approximate the projective grid filter was given. This led to the introduction of the grid filter models. Through the use of a newly-developed method of numerical simulation, in this dissertation we solve unsteady flows with a flat and moving free-surface in the transitional regime. These flows are the incompressible flow of a viscous fluid enclosed in a cylindrical container with an open top surface and driven by the steady rotation of the bottom wall. New flow states are investigated based on the fully three-dimensional solution of the Navier-Stokes equations for these free-surface cylindrical swirling flows, without resorting to any symmetry properties unlike all other results available in the literature. To our knowledge, this study delivers the most general available results for this free-surface problem due to its original mathematical treatment. This second part of the dissertation is a basic research task directed at increasing our understanding of the influence of the presence of a free surface on the intricate transitional flow dynamics of shear-driven flows

Generalized averaged Gaussian quadrature and applications

A simple numerical method for constructing the optimal generalized averaged Gaussian quadrature formulas will be presented. These formulas exist in many cases in which real positive GaussKronrod formulas do not exist, and can be used as an adequate alternative in order to estimate the error of a Gaussian rule. We also investigate the conditions under which the optimal averaged Gaussian quadrature formulas and their truncated variants are internal

MS FT-2-2 7 Orthogonal polynomials and quadrature: Theory, computation, and applications

Quadrature rules find many applications in science and engineering. Their analysis is a classical area of applied mathematics and continues to attract considerable attention. This seminar brings together speakers with expertise in a large variety of quadrature rules. It is the aim of the seminar to provide an overview of recent developments in the analysis of quadrature rules. The computation of error estimates and novel applications also are described