Surface-only simulation methods for fluid dynamics are those that perform computation only on a surface representation, without relying on any volumetric discretization. Such methods have superior asymptotic complexity in time and memory than the traditional volumetric discretization approaches, and thus are more tractable for simulation of complex fluid phenomena. Although for most computer graphics applications and many engineering applications, the interior flow inside the fluid phases is typically not of interest, the vast majority of existing numerical techniques still rely on discretization of the volumetric domain. My research first tackles the mesh-based surface tracking problem in the multimaterial setting, and then proposes surface-only simulation solutions for two scenarios: the soap-films and bubbles, and the general 3D liquids. Throughout these simulation approaches, all computation takes place on the surface, and volumetric discretization is entirely eliminated.

Relationships between structure and dynamics in fluids have a wide variety of applications. Because theories for fluid structure are now well developed, such relationships can be used to “predict” dynamic properties. Also, recasting dynamic properties in terms of structure may provide new insights. In this thesis, we explore whether some of the relationships between structure and dynamics that have proven useful for understanding simple atomic liquids can also be applied to complex fluid systems. In particular, we focus on model fluid systems with particles that interact with attractive forces that are shortranged (relative to the particle diameter), and display properties that are anomalous when compared to those of simple liquids. Examples of fluids with short-range attractive (SRA) interactions include colloidal suspensions and solutions of micelles or proteins. We show via simulations that common assumptions regarding free volume and dynamics do not apply for SRA fluids, and propose a revision to the traditional free volume perspective of dynamics. We also develop a model which can predict the free volume behavior for hard-sphere and SRA fluids. Next, we demonstrate that the dynamic properties of SRA fluids can be related to structural order. In terms of structural order, the properties of SRA fluids can be related to those of another anomalous fluid, liquid water. In both fluids, anomalous dynamics are closely related to anomalous structure, which can be traced to changes in second and higher coordination shells. We also find that a similar relationship between structural order and dynamics approximately holds for fluids under shear. Motivated by previous work, we explore via simulation how tuning the particle-wall interactions to flatten or enhance the particle layering in a confined fluid impacts its self-diffusivity, viscosity, and entropy. We find that the excess entropy explains the observed trends. Finally, we present preliminary simulation data regarding the relationship between heterogeneous dynamics and structure. We show that the mobility of particles is related in a simple way to the structure of the particles surrounding them. In particular, our results suggest that a critical amount of local disorder allows a particle to be mobile on intermediate time scales. / text

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<div>Combustion instability due to thermo-acoustic interactions in high-speed propulsion devices such as gas turbines and rocket engines result from pressure waves with very large amplitudes propagating back and forth in the combustion chamber. Exposure to the pressure fluctuations over a long period of time can lead to a cataclysmic failure of engines. The underlying physics governing the generation of the thermo-acoustic instability is a complex interaction among heat release, turbulence, and acoustic waves. Currently, it is very difficult to accurately predict the expected level of oscillations in a combustor. Hence development of strategies and engineering solutions to mitigate thermo-acoustic instability is an active area of research in both academia and industry. In this work, we carry out numerical modeling of thermo-acoustic instability in a self-excited, laboratory scale, model rocket combustor developed at Purdue University. Two different turbulent combustion models to account for turbulence-chemistry interactions are considered in this study, the flamelet model and the transported probability density function (PDF) method. </div><div><br></div><div>In the flamelet modeling approach, detailed chemical kinetics can be easily incorporated at a relatively low cost in comparison to other turbulent combustion models and it also accounts for turbulence-chemistry interactions. The flamelet model study is divided into two parts. In first part, we examine the effect of different numerical approaches for implementing the flamelet model. In advanced modeling and simulations of turbulent combustion, the accuracy of model predictions is affected by physical model errors as well as errors that arise from the numerical implementation of models in simulation codes. Here we are mainly concerned with the effect of numerical implementation on model predictions of turbulent combustion. Particularly, we employ the flamelet/progress variable (FPV) model and examine the effect of various numerical approaches for the flamelet table integration, with presumed shapes of PDF, on the FPV modeling results. Three different presumed-PDF table integration approaches are examined in detail by employing different numerical integration strategies. The effect of the different presumed-PDF table integration approaches is examined on predictions of two real flames, a laboratory-scale turbulent free jet flame, Sandia Flame D and the self-excited resonance model rocket combustor. Significant difference is observed in the predictions both of the flames. The results in this study further support the claims made in previous studies that it is imperative to preserve the laminar flamelet structure during integration while using the flamelet model to achieve better predictions in simulations. In the second part of the flamelet modeling study, computational investigations of the coupling between the transient flame dynamics such as the ignition delay and local extinction and the thermo-acoustic instability developed in a self-excited resonance combustor to gain deep insights into the mechanisms of thermo-acoustic instability. A modeling framework that employs different flamelet models (the steady flamelet model and the flamelet/progress variable approach) is developed to enable the examination of the effect of the transient flame dynamics caused by the strong coupling of the turbulent mixing and finite-rate chemical kinetics on the occurrence of thermo-acoustic instability. The models are validated by using the available experimental data for the pressure signal. Parametric studies are performed to examine the effect of the occurrence of the transient flame dynamics, the effect of artificial amplification of the Damkohler number, and the effect of neglecting mixture fraction fluctuations on the predictions of the thermo-acoustic instability. The parametric studies reveal that the occurrence of transient flame dynamics has a strong influence on the onset of the thermo-acoustic instability. Further analysis is then conducted to localize the effect of a particular flame dynamic event, the ignition delay, on the thermo-acoustic instability. The reverse effect of the occurrence of the thermo-acoustic instability on the transient flame dynamics in the combustor is also investigated by examining the temporal evolution of the local flame events in conjunction with the pressure wave propagation. The above observed two-way coupling between the transient flame dynamics (the ignition delay) and the thermo-acoustic instability provides a plausible mechanism of the self-excited and sustained thermo-acoustic instability observed in the combustor.</div><div><br></div><div>The second turbulent combustion model considered in this study is the transported PDF method. The transported PDF method is one of the most attractive models because it treats the highly-nonlinear chemical reaction source term without a closure requirement and it is a generalized model for a wide range of turbulent combustion problems.</div><div>Traditionally, the transported PDF method has been used to model low-Mach number, incompressible flows where the pressure is assumed to be thermodynamically constant. Since there is significant pressure fluctuations in the model rocket combustor, the flow is highly compressible and it is necessary to account for this compressibility in the transported PDF method. In the past there has been very little work to model compressible reactive flows using the transported PDF and no effort has been made to model thermo-acoustic instability using the transported PDF method. There is a pressing need to further examine and develop the transported PDF method for compressible reactive flows to broaden our understanding of physical phenomenon like thermo-acoustic instability, interaction between combustion and strong shock and expansion waves, coupling between acoustic and heat release which are observed in high-speed turbulent combustion problems. To address this, a modeling framework for compressible turbulent reactive flows by the using the transported PDF method is developed. This framework is validated in a series of test cases ranging from pure mixing to a supersonic turbulent jet flame. The framework is then used to study the thermo-acoustic interactions in the self-excited model rocket combustor.</div>

Submitted by JOSIANE SANTOS DE OLIVEIRA (josianeso) on 2017-10-26T11:44:55Z No. of bitstreams: 1 Édson Flores_.pdf: 3781858 bytes, checksum: ecc6bea71a85c8419f9ea9400766fdf3 (MD5) / Made available in DSpace on 2017-10-26T11:44:55Z (GMT). No. of bitstreams: 1 Édson Flores_.pdf: 3781858 bytes, checksum: ecc6bea71a85c8419f9ea9400766fdf3 (MD5) Previous issue date: 2017-05-12 / CNPQ – Conselho Nacional de Desenvolvimento Científico e Tecnológico / Este trabalho tem como objetivo a modelagem de diferentes dissipadores de calor com resfriamento líquido em microcanais. A proposta é a utilização de softwares de dinâmica de fluidos para analisar o desempenho térmico em diferentes geometrias construtivas de microcanais. O software utilizado para a realização das simulações CFD foi o Ansys Fluent R . O trabalho aborda as etapas prévias necessárias para simulação CFD, destacando a etapa de geração de malha para as simulações, envolvendo o estudo de convergência de malha, os critérios de aceitação da simulação e as técnicas de refino na interface líquido-sólido, procedimento necessário para modelagem correta da física de transferência de calor. Foram estudadas geometrias de microcanais de seção retangular em paralelo, microcanais de estrutura pinada e microcanais em rede de fractal do tipo H. Este trabalho também apresenta o modelamento de um estudo de caso em que os microcanais em paralelo são formados pelas paredes de material adesivo fixado em um bloco de alumínio. Os resultados obtidos servem para auxílio em uma etapa de construção de um protótipo experimental. No estudo dos microcanais de seção retangular em paralelo e de microcanais de estrutura pinada, variou-se os aspectos dimensionais buscando a melhor resposta de desempenho térmico, sendo isso expresso em termos de resistência térmica. A simulação de microcanais em rede de fractal H foram realizadas para uma comparação qualitativa referente as demais geometrias estudadas. Um problema discutido no decorrer deste trabalho foi a necessidade de mudança do modelo de viscosidade laminar para um modelo de viscosidade turbulenta, apesar das velocidades do fluido no interior dos microcanais serem baixas e expressarem um número de Reynolds baixo. As técnicas de remoção de calor em microcanais podem colaborar de forma decisiva no gerenciamento térmico de um projeto, na menor energia empregada para o resfriamento e na diminuição das dimensões de um produto final. As geometrias estudadas podem ser construídas em uma camada metálica de uma placa de circuito impresso do tipo metal core, como também estarem presentes em uma estrutura de silício de um chip. O domínio das técnicas de modelagem térmica com softwares simuladores de dinâmicas de fluidos apresentados neste trabalho podem auxiliar na busca de soluções para a remoção de calor em micro-escala, reduzir a necessidade de produção de protótipos, e por consequência, diminuir custos. / This work has the objective of modeling different heat sinks with liquid cooling in microchannels. The proposal is the use of fluid dynamics software to analyze the thermal performance in different constructional geometries of microchannels. The software used to perform the CFD simulations was Ansys Fluent R . This work addresses the previous steps required for CFD simulation, highlighting the step of mesh generation for the simulations, involving mesh convergence study, simulation acceptance criteria and refining techniques at the liquid-solid interface, a procedure necessary for Modeling of heat transfer physics. The geometries studied were of rectangular section microchannels in parallel, microchannels of pinched structure and microchannels in fractal network of type H. A case study was also modeled in this work in which parallel microchannels were formed by walls of adhesive material In an aluminum block, in which the results obtained serve to aid in a stage of construction of an experimental prototype. In the study of the microchannels of rectangular section in parallel and microchannels of pinned structure, we varied the dimensional aspects seeking the best response of thermal performance, being expressed in terms of thermal resistance. The simulation of microchannels in fractal network H was performed for a qualitative comparison referring to the other geometries studied. A problem discussed in the course of this work was the need to change the laminar viscosity model to a turbulent viscosity model despite the velocity of the fluid inside the microchannels being low and expressing a low Reynolds number. Techniques for heat removal in microchannels can contribute decisively to the thermal management of a project, the lower energy used for cooling and the reduction of the dimensions of an end product. The geometries studied can be constructed in a metal layer of a metal core type printed circuit board, as well as being present in a one-chip silicon structure. The domain of thermal modeling techniques with fluid dynamics simulators presented in this paper can help in the search for technological solutions for micro-scale heat removal, reduce the need for prototype production, and consequently reduce costs.

In this dissertation, we introduce a framework for simulating the dynamics between liquid and thin structures, including the effects of buoyancy, drag, capillary cohesion, dripping, and diffusion. After introducing related works, Part I begins with a discussion on the interactions between Newtonian fluid and fabrics. In this discussion, we treat both the fluid and the fabrics as continuum media; thus, the physical model is built from mixture theory. In Part II, we discuss the interactions between Newtonian fluid and hairs. To have more detailed dynamics, we no longer treat the hairs as continuum media. Instead, we treat them as discrete Kirchhoff rods. To deal with the thin layer of liquid that clings to the hairs, we augment each hair strand with a height field representation, through which we introduce a new reduced-dimensional flow model to solve the motion of liquid along the longitudinal direction of each hair. In addition, we develop a faithful model for the hairs' cohesion induced by surface tension, where a penalty force is applied to simulate the collision and cohesion between hairs. To enable the discrete strands interact with continuum-based, shear-dependent liquid, in Part III, we develop models that account for the volume change of the liquid as it passes through strands and the momentum exchange between the strands and the liquid. Accordingly, we extend the reduced-dimensional flow model to simulate liquid with elastoviscoplastic behavior. Furthermore, we use a constraint-based model to replace the penalty-force model to handle contact, which enables an accurate simulation of the frictional and adhesive effects between wet strands. We also present a principled method to preserve the total momentum of a strand and its surface flow, as well as an analytic plastic flow approach for Herschel-Bulkley fluid that enables stable semi-implicit integration at larger time steps. We demonstrate a wide range of effects, including the challenging animation scenarios involving splashing, wringing, and colliding of wet clothes, as well as flipping of hair, animals shaking, spinning roller brushes from car washes being dunked in water, and intricate hair coalescence effects. For complex liquids, we explore a series of challenging scenarios, including strands interacting with oil paint, mud, cream, melted chocolate, and pasta sauce.

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Smart hydrogels are useful elements in microfluidic systems because they respond to environmental stimuli and are capable of storing reagents. We present here a concept of using hydrogels (poly(N-isopropylacrylamide)) as an interface between continuous and discontinuous microfluidics. Their swelling and shrinking capabilities allow them to act as storage elements for reagents absorbed in the swelling process. When the swollen hydrogel collapses in an oil-filled channel, the incorporated water and molecules are expelled from the hydrogel and form a water reservoir. Water-in-oil droplets can be released from the reservoir generating different sized droplets depending on the flow regime at various oil flow rates (dispensing functionality). Different hydrogel sizes and microfluidic structures are discussed in terms of their storage and droplet formation capabilities. The time behaviour of the hydrogel element is investigated by dynamic swelling experiments and computational fluid dynamics simulations. By precise temperature control, the device acts as an active droplet generator and converts continuous to discontinuous flows.

Während CFD Simulationen für Metallschmelze im Rahmen des SFB920 fallen auf dem Taurus HPC Cluster in Dresden sehr große Datenmengen an, deren Handhabung den wissenschaftlichen Arbeitsablauf stark verlangsamen. Zum einen ist der Transfer in Visualisierungssysteme nur unter hohem Zeitaufwand möglich. Zum anderen ist interaktive Analyse von zeitlich abhängigen Prozessen auf Grund des Speicherflaschenhalses nahezu unmöglich. Aus diesen Gründen beschäftigt sich die vorliegende Dissertation mit der Entwicklung sog. Temporaler In-Situ Kompression für wissenschaftliche Daten direkt innerhalb von CFD Simulationen. Dabei werden mittels neuer Quantisierungsverfahren die Daten auf ~10% komprimiert, wobei dekomprimierte Daten einen Fehler von maximal 1% aufweisen. Im Gegensatz zu nicht-temporaler Kompression, wird bei temporaler Kompression der Unterschied zwischen Zeitschritten komprimiert, um den Kompressionsgrad zu erhöhen. Da die Datenmenge um ein Vielfaches kleiner ist, werden Kosten für die Speicherung und die Übertragung gesenkt. Da Kompression, Transfer und Dekompression bis zu 4 mal schneller ablaufen als der Transfer von unkomprimierten Daten, wird der wissenschaftliche Arbeitsablauf beschleunigt.

Flow machines are very important to industry, being widely used on various processes. Performance improvements are relevant factors and can be achieved by using optimization methods, such as topology optimization. Thus, this work aims to develop a method to design radial flow machine rotors operating on laminar regime, by implementing a topology optimization formulation based on density model. The design of a rotor involves firstly modelling the fluid flow by using the Navier-Stokes equations on a rotating reference frame and using the Finite Element Method for solving the differential equations. To determine the material distribution on the domain, a porous flow model based on the Darcy equation is employed by using an inverse permeability that interpolates between fluid and solid. In the optimization phase, it is defined a multi-objective function that aims to minimize the viscous energy dissipation, vorticity and power. The optimization problem is implemented using the FEniCS environment and the libraries dolfin-adjoint and pyIpopt. The optimized topologies are verified with the ANSYS software. The resulting topologies are post-processed and a CAD model is created. The rotors are manufactured by using a 3D printer, the complete prototype is built by coupling an electric brushless motor and an experimental characterization is performed by measuring fluid flow and pressure head given by the pumps. Experimental and computational results are compared and the improvement is verified. / Máquinas de fluxo são muito importantes para a indústria, sendo utilizadas em diversos processos. Assim, melhorias de desempenho são fatores relevantes e podem ser alcançadas com a utilização de métodos de otimização, como a otimização topológica. Este trabalho visa desenvolver uma metodologia para projetar rotores de máquinas de fluxo radiais que operam em escoamento laminar implementando-se a formulação de otimização topológica baseada no modelo de densidades. O projeto de rotores envolve, primeiramente, a modelagem do escoamento utilizando-se as equações de Navier-Stokes em um referencial rotativo e a utilização do Método de Elementos Finitos para a resolução das equações diferenciais. A distribuição de material no domínio é feita empregando-se um modelo de escoamento em meio poroso baseado nas equações de Darcy, utilizando-se a permeabilidade inversa que interpola o elemento entre sólido e fluido. Na fase de otimização é definida uma função multi-objetivo, que visa minimizar dissipação de energia viscosa, a vorticidade e a potência. O problema de otimização é implementado utilizando-se o ambiente FEniCS para a resolução do sistema de elementos finitos e as bibliotecas dolfin-adjoint e pyIpopt para o algorithmo de otimização. As topologias otimizadas são verificadas com o software ANSYS. As topologias resultantes são pós-processadas para a criação de um modelo CAD dos rotores. Os rotores são construídos utilizando-se a impressão 3D, o protótipo completo é montado acoplando-se um motor elétrico sem escovas e a caracterização experimental é feita medindo-se a vazão e o ganho de pressão dados pelas bombas. Por fim, os resultados experimentais e computacionais são comparados e uma melhoria de desempenho é observada.