Study of the flow field through the wall of a Diesel particulate filter using Lattice Boltzmann Methods

Contamination is becoming an important problem in great metropolitan areas. A large portion of the contaminants is emitted by the vehicle fleet. At European level, as well as in other economical areas, the regulation is becoming more and more restrictive. Euro regulations are the best example of this tendency. Specially important are the emissions of nitrogen oxide (NOx) and Particle Matter (PM). Two different strategies exist to reduce the emission of pollutants. One of them is trying to avoid their creation. Modifying the combustion process by means of different fuel injection laws or controlling the air regeneration are the typical methods. The second set of strategies is focused on the contaminant elimination. The NOx are reduced by means of catalysis and/or reducing atmosphere, usually created by injection of urea. The particle matter is eliminated using filters. This thesis is focused in this matter. Most of the strategies to reduce the emission of contaminants penalise fuel consumption. The particle filter is not an exception. Its installation, located in the exhaust duct, restricts the pass of the air. It increases the pressure along the whole exhaust line before the filter reducing the performance. Optimising the filter is then an important task. The efficiency of the filter has to be good enough to obey the contaminant normative. At the same time the pressure drop has to be as low as possible to optimise fuel consumption and performance. The objective of the thesis is to find the relation between the micro-structure and the macroscopic properties. With this knowledge the optimisation of the micro-structure is possible. The micro-structure of the filter mimics acicular mullite. It is created by procedural generation using random parameters. The relation between micro-structure and the macroscopic properties such as porosity and permeability are studied in detail. The flow field is solved using LabMoTer, a software developed during this thesis. The formulation is based on Lattice Botlzmann Methods, a new approach to simulate fluid dynamics. In addition, Walberla framework is used to solve the flow field too. This tool has been developed by Friedrich Alexander University of Erlangen Nürnberg. The second part of the thesis is focused on the particles immersed into the fluid. The properties of the particles are given as a function of the aerodynamic diameter. This is enough for macroscopic approximations. However, the discretization of the porous media has the same order of magnitude than the particle size. Consequently realistic geometry is necessary. Diesel particles are aggregates of spheres. A simulation tool is developed to create these aggregated using ballistic collision. The results are analysed in detail. The second step is to characterise their aerodynamic properties. Due to the small size of the particles, with the same order of magnitude than the separation between molecules of air, the fluid can not be approximated as a continuous medium. A new approach is needed. Direct Simulation Monte Carlo is the appropriate tool. A solver based on this formulation is developed. Unfortunately complex geometries could not be implemented on time. The thesis has been fruitful in several aspects. A new model based on procedural generation has been developed to create a micro-structure which mimics acicular mullite. A new CFD solver based on Lattice Boltzmann Methods, LabMoTer, has been implemented and validated. At the same time it is proposed a technique to optimized setup. Ballistic agglomeration process is studied in detail thanks to a new simulator developed ad hoc for this task. The results are studied in detail to find correlation between properties and the evolution in time. Uncertainty Quantification is used to include the Uncertainty in the models. A new Direct Simulation Monte Carlo solver has been developed and validated to calculate rarefied flow.La contaminación se está volviendo un gran problema para las grandes áreas metropolitanas, en gran parte debido al tráfico. A nivel europeo, al igual que en otras áreas, la regulación es cada vez más restrictiva. Una buena prueba de ello es la normativa Euro de la Unión Europea. Especialmente importantes son las emisiones de óxidos de nitrógeno (NOx) y partículas (PM). La reducción de contaminantes se puede abordar desde dos estrategias distintas. La primera es la prevención. Modificar el proceso de combustión a través de las leyes de inyección o controlar la renovación de la carda son los métodos más comunes. La segunda estrategia es la eliminación. Se puede reducir los NOx mediante catálisis o atmósfera reductora y las partículas mediante la instalación de un filtro en el conducto de escape. La presente tesis se centra en el estudio de éste último. La mayoría de as estrategias para la reducción de emisiones penalizan el consumo. El filtro de partículas no es una excepción. Restringe el paso de aire. Como consecuencia la presión se incrementa a lo largo de toda la línea reduciendo las prestaciones del motor. La optimización del filtro es de vital importancia. Tiene que mantener su eficacia a la par que que se minimiza la caída de presión y con ella el consumo de combustible. El objetivo de la tesis es encontrar la relación entre la miscroestructura y las propiedades macroscópicas del filtro. Las conclusiones del estudio podrán utilizarse para optimizar la microestructura. La microestructura elegida imita los filtros de mulita acicular. Se genera por ordenador mediante generación procedimental utilizando parámetros aleatorios. Gracias a ello se puede estudiar la relación que existe entre la microestructura y las propiedades macroscópicas como la porosidad y la permeabilidad. El campo fluido se resuelve con LabMoTer, un software desarrollado en esta tesis. Está basado en Lattice Boltzmann, una nueva aproximación para simular fluidos. Además también se ha utilizado el framework Walberla desarrollado por la universidad Friedrich Alexander de Erlangen Nürnberg. La segunda parte de la tesis se centra en las partículas suspendidas en el fluido. Sus propiedades vienen dadas en función del diámetro aerodinámico. Es una buena aproximación desde un punto de vista macroscópico. Sin embargo éste no es el caso. El tamaño de la discretización requerida para calcular el medio poroso es similar al tamaño de las partículas. En consecuencia se necesita simular geometrías realistas. Las partículas Diesel son agregados de esferas. El proceso de aglomeración se ha simulado mediante colisión balística. Los resultados se han analizado con detalle. El segundo paso es la caracterización aerodinámica de los aglomerados. Debido a que el tamaño de las partículas precursoras es similar a la distancia entre moléculas el fluido no puede ser considerado un medio continuo. Se necesita una nueva aproximación. La herramienta apropiada es la Simulación Directa Monte Carlo (DSMC). Por ello se ha desarrollado un software basado en esta formulación. Desafortunadamente no ha habido tiempo suficiente como para implementar condiciones de contorno sobre geometrías complejas. La tesis ha sido fructífera en múltiples aspectos. Se ha desarrollado un modelo basado en generación procedimental capaz de crear una microestructura que aproxime mulita acicular. Se ha implementado y validado un nuevo solver CFD, LabMoTer. Además se ha planteado una técnica que optimiza la preparación del cálculo. El proceso de aglomeración se ha estudiado en detalle gracias a un nuevo simulador desarrollado ad hoc para esta tarea. Mediante el análisis estadístico de los resultados se han planteado modelos que reproducen la población de partículas y su evolución con el tiempo. Técnicas de Cuantificación de Incertidumbre se han empleado para modelar la dispersión de datos. Por último, un simulador basadoLa contaminació s'està tornant un gran problema per a les grans àrees metropolitanes, en gran part degut al tràfic. A nivell europeu, a l'igual que en atres àrees, la regulació és cada volta més restrictiva. Una bona prova d'això és la normativa Euro de l'Unió Europea. Especialment importants són les emissions d'òxits de nitrogen (NOX) i partícules (PM). La reducció de contaminants se pot abordar des de dos estratègies distintes. La primera és la prevenció. Modificar el procés de combustió a través de les lleis d'inyecció o controlar la renovació de la càrrega són els mètodos més comuns. La segona estratègia és l'eliminació. Se pot reduir els NOX mediant catàlisis o atmòsfera reductora i les partícules mediant l'instalació d'un filtre en el vas d'escap. La present tesis se centra en l'estudi d'este últim. La majoria de les estratègies per a la reducció d'emissions penalisen el consum. El filtre de partícules no és una excepció. Restringix el pas d'aire. Com a conseqüència la pressió s'incrementa a lo llarc de tota la llínea reduint les prestacions del motor. L'optimisació del filtre és de vital importància. Ha de mantindre la seua eficàcia a la par que que es minimisa la caiguda de pressió i en ella el consum de combustible. L'objectiu de la tesis és trobar la relació entre la microescritura i les propietats macroscòpiques del filtre. Les conclusions de l'estudi podran utilisar-se per a optimisar la microestructura. La microestructura elegida imita els filtres de mulita acicular. Se genera per ordenador mediant generació procedimental utilisant paràmetros aleatoris. Gràcies ad això es pot estudiar la relació que existix entre la microestructura i les propietats macroscòpiques com la porositat i la permeabilitat. El camp fluït se resol en LabMoTer, un software desenrollat en esta tesis. Està basat en Lattice Boltzmann, una nova aproximació per a simular fluïts. Ademés també s'ha utilisat el framework Walberla, desentollat per l'Universitat Friedrich Alexander d'Erlangen Nürnberg. La segona part de la tesis se centra en les partícules suspeses en el fluït. Les seues propietats venen donades en funció del diàmetro aerodinàmic. És una bona aproximació des d'un punt de vista macroscòpic. No obstant este no és el cas. El tamany de la discretisació requerida per a calcular el mig porós és similar al tamany de les partícules. En conseqüència es necessita simular geometries realistes. Les partícules diésel són agregats d'esferes. El procés d'aglomeració s'ha simulat mediant colisió balística. Els resultats s'han analisat en detall. El segon pas és la caracterisació aerodinàmica dels aglomerats. Degut a que el tamany de les partícules precursores és similar a la distància entre molècules el fluït no pot ser considerat un mig continu. Se necessita una nova aproximació. La ferramenta apropiada és la Simulació Directa Monte Carlo (DSMC). Per això s'ha desenrollat un software basat en esta formulació. Malafortunadament no ha hagut temps suficient com per a implementar condicions de contorn sobre geometries complexes. La tesis ha segut fructífera en múltiples aspectes. S'ha desenrollat un model basat en generació procedimental capaç de crear una microestructura que aproxime mulita acicular. S'ha implementat i validat un nou solver CFD, LabMoTer. Ademés s'ha plantejat una tècnica que optimisa la preparació del càlcul. El procés d'aglomeració s'ha estudiat en detall gràcies a un nou simulador desenrollat ad hoc per ad esta tasca. Mediant l'anàlisis estadístic dels resultats s'han plantejat models que reproduixen la població de partícules i la seua evolució en el temps. Tècniques de Quantificació d'Incertea s'han empleat per a modelar la dispersió de senyes. Per últim, un simulador basat en DSMC s'ha desenrollat per a calcular fluïts rarificats.García Galache, JP. (2017). Study of the flow field through the wall of a Diesel particulate filter using Lattice Boltzmann Methods [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/90413TESI

Real-Time Simulation of Indoor Air Flow using the Lattice Boltzmann Method on Graphics Processing Unit

This thesis investigates the usability of the lattice Boltzmann method (LBM) for the simulation of indoor air flows in real-time. It describes the work undertaken during the three years of a Ph.D. study in the School of Mechanical Engineering at the University of Leeds, England. Real-time fluid simulation, i.e. the ability to simulate a virtual system as fast as the real system would evolve, can benefit to many engineering application such as the optimisation of the ventilation system design in data centres or the simulation of pollutant transport in hospitals. And although real-time fluid simulation is an active field of research in computer graphics, these are generally focused on creating visually appealing animation rather than aiming for physical accuracy. The approach taken for this thesis is different as it starts from a physics based model, the lattice Boltzmann method, and takes advantage of the computational power of a graphics processing unit (GPU) to achieve real-time compute capability while maintaining good physical accuracy. The lattice Boltzmann method is reviewed and detailed references are given a variety of models. Particular attention is given to turbulence modelling using the Smagorinsky model in LBM for the simulation of high Reynolds number flow and the coupling of two LBM simulations to simulate thermal flows under the Boussinesq approximation. A detailed analysis of the implementation of the LBM on GPU is conducted. A special attention is given to the optimisation of the algorithm, and the program kernel is shown to achieve a performance of up to 1.5 billion lattice node updates per second, which is found to be sufficient for coarse real-time simulations. Additionally, a review of the real-time visualisation integrated within the program is presented and some of the techniques for automated code generation are introduced. The resulting software is validated against benchmark flows, using their analytical solutions whenever possible, or against other simulation results obtained using accepted method from classical computational fluid dynamics (CFD) either as published in the literature or simulated in-house. The LBM is shown to resolve the flow with similar accuracy and in less time

格子ボルツマン法による高効率な津波数値解析手法の開発

Tohoku University越村俊一課

Cosmological Simulations of Galaxy Formation

Over the last decades, cosmological simulations of galaxy formation have been instrumental for advancing our understanding of structure and galaxy formation in the Universe. These simulations follow the non-linear evolution of galaxies modeling a variety of physical processes over an enormous range of scales. A better understanding of the physics relevant for shaping galaxies, improved numerical methods, and increased computing power have led to simulations that can reproduce a large number of observed galaxy properties. Modern simulations model dark matter, dark energy, and ordinary matter in an expanding space-time starting from well-defined initial conditions. The modeling of ordinary matter is most challenging due to the large array of physical processes affecting this matter component. Cosmological simulations have also proven useful to study alternative cosmological models and their impact on the galaxy population. This review presents a concise overview of the methodology of cosmological simulations of galaxy formation and their different applications.Comment: To appear in Nature Reviews Physics. 34 pages, 2 figures, 2 table

Software for Exascale Computing - SPPEXA 2016-2019

This open access book summarizes the research done and results obtained in the second funding phase of the Priority Program 1648 "Software for Exascale Computing" (SPPEXA) of the German Research Foundation (DFG) presented at the SPPEXA Symposium in Dresden during October 21-23, 2019. In that respect, it both represents a continuation of Vol. 113 in Springer’s series Lecture Notes in Computational Science and Engineering, the corresponding report of SPPEXA’s first funding phase, and provides an overview of SPPEXA’s contributions towards exascale computing in today's sumpercomputer technology. The individual chapters address one or more of the research directions (1) computational algorithms, (2) system software, (3) application software, (4) data management and exploration, (5) programming, and (6) software tools. The book has an interdisciplinary appeal: scholars from computational sub-fields in computer science, mathematics, physics, or engineering will find it of particular interest

XSEDE: eXtreme Science and Engineering Discovery Environment Third Quarter 2012 Report

The Extreme Science and Engineering Discovery Environment (XSEDE) is the most advanced, powerful, and robust collection of integrated digital resources and services in the world. It is an integrated cyberinfrastructure ecosystem with singular interfaces for allocations, support, and other key services that researchers can use to interactively share computing resources, data, and expertise.This a report of project activities and highlights from the third quarter of 2012.National Science Foundation, OCI-105357

Real-Time Simulation and Prognosis of Smoke Propagation in Compartments Using a GPU

The evaluation of life safety in buildings in case of fire is often based on smoke spread calculations. However, recent simulation models – in general, based on computational fluid dynamics – often require long execution times or high-performance computers to achieve simulation results in or faster than real-time. Therefore, the objective of this study is the development of a concept for the real-time and prognosis simulation of smoke propagation in compartments using a graphics processing unit (GPU). The developed concept is summarized in an expandable open source software basis, called JuROr (Jülich's Real-time simulation within ORPHEUS). JuROr simulates buoyancy-driven, turbulent smoke spread based on a reduced modeling approach using finite differences and a Large Eddy Simulation turbulence model to solve the incompressible Navier-Stokes and energy equations. This reduced model is fully adapted to match the target hardware of highly parallel computer architectures. Thereby, the code is written in the object-oriented programming language C++ and the pragma-based programming model OpenACC. This model ensures to maintain a single source code, which can be executed in serial and parallel on various architectures. Further, the study provides a proof of JuROr's concept to balance sufficient accuracy and practicality. First, the code was successfully verified using unit and (semi-) analytical tests. Then, the underlying model was validated by comparing the numerical results to the experimental results of scenarios relevant for fire protection. Thereby, verification and validation showed acceptable accuracy for JuROr's application. Lastly, the performance criteria of JuROr – being real-time and prognosis capable with comparable performance across various architectures – was successfully evaluated. Here, JuROr also showed high speedup results on a GPU and faster time-to-solution compared to the established Fire Dynamics Simulator. These results show JuROr's practicality.Die Bewertung der Personensicherheit bei Feuer in Gebäuden basiert häufig auf Berechnungen zur Rauchausbreitung. Bisherige Simulationsmodelle – im Allgemeinen basierend auf numerischer Strömungsdynamik – erfordern jedoch lange Ausführungszeiten oder Hochleistungsrechner, um Simulationsergebnisse in und schneller als Echtzeit liefern zu können. Daher ist das Ziel dieser Arbeit die Entwicklung eines Konzeptes für die Echtzeit- und Prognosesimulation der Rauchausbreitung in Gebäuden mit Hilfe eines Grafikprozessors (GPU). Zusammengefasst ist das entwickelte Konzept in einer erweiterbaren Open-Source-Software, genannt JuROr (Jülich's Real-time Simulation in ORPHEUS). JuROr simuliert die Ausbreitung von auftriebsgetriebenem, turbulentem Rauch basierend auf einem reduzierten Modellierungsansatz mit finiten Differenzen und einem Large Eddy Simulation Turbulenzmodell, um inkompressible Navier- Stokes und Energiegleichungen zu lösen. Das reduzierte Modell ist voll- ständig angepasst an hochparallele Computerarchitekturen. Dabei ist der Code implementiert mit C++ und OpenACC. Dies hat den Vorteil mit nur einem Quellcode verschiedenste serielle und parallele Ausführungen des Programms für unterschiedliche Architekturen erstellen zu können. Die Studie liefert weiterhin einen Konzeptnachweis dafür, ausreichende Genauigkeit und Praktikabilität im Gleichgewicht zu halten. Zunächst wurde der Code erfolgreich mit Modul- und (semi-) analytischen Tests verifiziert. Dann wurde das zugrundeliegende Modell durch einen Vergleich der numerischen mit den experimentellen Ergebnissen für den Brandschutz relevanter Szenarien validiert. Die Verifizierung und Validierung zeigten dabei ausreichende Genauigkeit für JuROr. Zuletzt, wurden die Kriterien von JuROr – echtzeit- und prognosefähig zu sein mit vergleichbarer Leistung auf unterschiedlichsten Architekturen – erfolgreich geprüft. Zudem zeigte JuROr hohe Beschleunigungseffekte auf einer GPU und schnellere Lösungszeiten im Vergleich zum etablierten Fire Dynamics Simulator. Diese Ergebnisse zeigen JuROr's Praktikabilität

Helmholtz Portfolio Theme Large-Scale Data Management and Analysis (LSDMA)

The Helmholtz Association funded the "Large-Scale Data Management and Analysis" portfolio theme from 2012-2016. Four Helmholtz centres, six universities and another research institution in Germany joined to enable data-intensive science by optimising data life cycles in selected scientific communities. In our Data Life cycle Labs, data experts performed joint R&D together with scientific communities. The Data Services Integration Team focused on generic solutions applied by several communities