The present research is focused on investigating particle interactions between valuable and gangue materials, and the effect of these interactions on selectivity in flotation. This is a very important issue to operations at several mines across the world (e.g., at Century Mine operated by Zinifex Ltd in Australia). Particle interactions between valuable and gangue minerals with subsequent aggregation have significant impact on flotation performance. Valuable minerals may be depressed if heavily covered with hydrophilic gangue minerals and/or gangue minerals may misreport to the concentrate.

The present work presents a framework for multiscale modeling of multimaterial flows using surrogate modeling techniques in the particular context of shocks interacting with clusters of particles. The work builds a framework for bridging scales in shock-particle interaction by using ensembles of resolved mesoscale computations of shocked particle laden flows. The information from mesoscale models is “lifted” by constructing metamodels of the closure terms - the thesis analyzes several issues pertaining to surrogate-based multiscale modeling frameworks. First, to create surrogate models, the effectiveness of several metamodeling techniques, viz. the Polynomial Stochastic Collocation method, Adaptive Stochastic Collocation method, a Radial Basis Function Neural Network, a Kriging Method and a Dynamic Kriging Method is evaluated. The rate of convergence of the error when used to reconstruct hypersurfaces of known functions is studied. For sufficiently large number of training points, Stochastic Collocation methods generally converge faster than the other metamodeling techniques, while the DKG method converges faster when the number of input points is less than 100 in a two-dimensional parameter space. Because the input points correspond to computationally expensive micro/meso-scale computations, the DKG is favored for bridging scales in a multi-scale solver. After this, closure laws for drag are constructed in the form of surrogate models derived from real-time resolved mesoscale computations of shock-particle interactions. The mesoscale computations are performed to calculate the drag force on a cluster of particles for different values of Mach Number and particle volume fraction. Two Kriging-based methods, viz. the Dynamic Kriging Method (DKG) and the Modified Bayesian Kriging Method (MBKG) are evaluated for their ability to construct surrogate models with sparse data; i.e. using the least number of mesoscale simulations. It is shown that unlike the DKG method, the MBKG method converges monotonically even with noisy input data and is therefore more suitable for surrogate model construction from numerical experiments. In macroscale models for shock-particle interactions, Subgrid Particle Reynolds’ Stress Equivalent (SPARSE) terms arise because of velocity fluctuations due to fluid-particle interaction in the subgrid/meso scales. Mesoscale computations are performed to calculate the SPARSE terms and the kinetic energy of the fluctuations for different values of Mach Number and particle volume fraction. Closure laws for SPARSE terms are constructed using the MBKG method. It is found that the directions normal and parallel to those of shock propagation are the principal directions of the SPARSE tensor. It is also found that the kinetic energy of the fluctuations is independent of the particle volume fraction and is 12-15% of the incoming shock kinetic energy for higher Mach Numbers. Finally, the thesis addresses the cost of performing large ensembles of resolved mesoscale computations for constructing surrogates. Variable fidelity techniques are used to construct an initial surrogate from ensembles of coarse-grid, relative inexpensive computations, while the use of resolved high-fidelity simulations is limited to the correction of initial surrogate. Different variable-fidelity techniques, viz the Space Mapping Method, RBFs and the MBKG methods are evaluated based on their ability to correct the initial surrogate. It is found that the MBKG method uses the least number of resolved mesoscale computations to correct the low-fidelity metamodel. Instead of using 56 high-fidelity computations for obtaining a surrogate, the MBKG method constructs surrogates from only 15 resolved computations, resulting in drastic reduction of computational cost.

In meiner Doktorarbeit untersuche ich ein Kac-artiges Vielteilchen-Modell, das eine Beschreibung von plastischen Verformungen ohne Verwendung einer Referenz-Konfiguration ermöglicht. Im Rahmen des Modells wird die Verformung eines Körpers durch Angabe von Atompositionen beschrieben. Es wird eine Mesoskala zwischen der Mikroskala der Atom-Atom Abstände und der Makroskala des Körpers eingeführt. Um jeden Punkt wird die Konfiguration auf dieser Mesoscala mit einem Bravais-Gitters approximiert. Die Matrix, die dieses Gitter aufspannt, wird als Argument eines elastischen Energiefunktionals verwendet. Auf diese Weise wird ein Energiefunktional definiert, das die Eigenschaften des Systems festlegt. Im Ersten Teil meiner Doktorarbeit analysiere ich das Modell im Fall das eine Referenz-Konfiguration lokal existiert. Ich schätze die Energiedichte einer solchen Konfiguration mit einer Störungsrechung von oben ab und erhalte eine obere Schranke für die Energiebarriere für plastische Relaxation in zwei Dimensionen. Im zweiten Teil untersuche ich Möglichkeiten Lagrange-Koordinaten im Rahmen des Modells zu konstruieren. Ich beweise, dass für zwei Punkte deren Abstand klein genug sind und die bestimmte Regularitätseigenschaften erfüllen, die Gitterparameter der approximierenden Bravais-Gitter bis auf eine Reparametrisierung nahe beieinander liegen müssen. Dies erlaubt diskrete Ketten von regulären Punkten zur Definition von Homotopieklassen zu benutzen die mit verallgemeinerten Burgers-Vektoren charakterisiert werden. Es ist mit dieser Technik auch möglich die Kernenergie von Versetzungen nach unten abzuschätzen. Schließlich passe ich eine Methode kontinuierliche Lagrange-Koordinaten, die von L. Mugnai und S. Luckhaus entwickelt wurden, an das Model an und verbessere sie dergestalt, dass ich die Energiedichte mit Hilfe eines Funktionales der Lagrange-Koordinaten nach unten abschätzen kann. / I study a Kac-type many particle model that allows a reference-free description of plastic deformation.In the framework of the model the state of the body is given by a set of atom position. The typical atom-atom distance is the microscopic scale. The size of the body is the macroscopic scale. Around each point a lattice is fitted to the configuration on a mesoscopic scale. The lattice parameters are used as an argument of a non-linear elasticity energy functional. Hence, this procedure allows to define an free-energy functional of a particle configuration. In the first part of my thesis I analyze the model in the case that a reference configuration exists locally. I bound the energy-density of such a configuration from above with a pertubative calculation and obtain an upper bound for the energy barrier of plastic deformation for dimension two. In the second part I explore the possibility to construct Lagrangian coordinates in the framework of the model. I prove that for two points that are close to each other and that fulfill certain regularity assumptions the fitted lattice parameters are close to each other up to a reparametrisation. This allows to use discrete chains of regular points for homotopy type arguments and define a generalized Burgers vector as a topological quantity. I also use this method to get a lower bound for the core energy of a dislocation. Finally, I adapt a method to construct continuous Lagrangian coordinates presented in by L.Mugnai and S.Luckhaus to my model and improve it to a point where I can use a functional of these Lagrangian coordinate as a lower bound for the energy of the model.

Neste trabalho investigamos a interação onda-partícula de uma onda eletrostática estacionária que perturba o sistema com impulsos periódicos, representados pela função delta de Dirac, e partículas relativísticas em um plasma magnetizado, com vetor de onda formando um ângulo arbitrário em relação ao campo magnético. Os impulsos periódicos permitem colocar a solução das equações de Hamilton na forma de um mapa. Nosso interesse principal está na possibilidade de energização de partículas inicialmente pouco energéticas. Para esse fim, o ˆangulo entre o vetor de onda e o campo magnético mostra-se como um parâmetro importante e explicamos o comportamento das partículas de baixa energia como função desse ângulo. / In this work we investigate the wave-particle interaction of a stationary electrostatic wave that perturbs periodically the system with impulses, represented by the Dirac delta function, and relativistic particles in a magnetized plasma with wavevector in a arbitrary direction. The periodic impulses allow us to place the solution of Hamilton’s equations in the form of a map. Our main interest lies in the possibility of energize particles initially with low energy. To this end, the angle between the wave vector and the magnetic field is an important parameter and we explain the behavior of the low energy particles as function of this angle.

Neste trabalho investigamos a interação onda-partícula de uma onda eletrostática estacionária que perturba o sistema com impulsos periódicos, representados pela função delta de Dirac, e partículas relativísticas em um plasma magnetizado, com vetor de onda formando um ângulo arbitrário em relação ao campo magnético. Os impulsos periódicos permitem colocar a solução das equações de Hamilton na forma de um mapa. Nosso interesse principal está na possibilidade de energização de partículas inicialmente pouco energéticas. Para esse fim, o ˆangulo entre o vetor de onda e o campo magnético mostra-se como um parâmetro importante e explicamos o comportamento das partículas de baixa energia como função desse ângulo. / In this work we investigate the wave-particle interaction of a stationary electrostatic wave that perturbs periodically the system with impulses, represented by the Dirac delta function, and relativistic particles in a magnetized plasma with wavevector in a arbitrary direction. The periodic impulses allow us to place the solution of Hamilton’s equations in the form of a map. Our main interest lies in the possibility of energize particles initially with low energy. To this end, the angle between the wave vector and the magnetic field is an important parameter and we explain the behavior of the low energy particles as function of this angle.

Neste trabalho investigamos a interação onda-partícula de uma onda eletrostática estacionária que perturba o sistema com impulsos periódicos, representados pela função delta de Dirac, e partículas relativísticas em um plasma magnetizado, com vetor de onda formando um ângulo arbitrário em relação ao campo magnético. Os impulsos periódicos permitem colocar a solução das equações de Hamilton na forma de um mapa. Nosso interesse principal está na possibilidade de energização de partículas inicialmente pouco energéticas. Para esse fim, o ˆangulo entre o vetor de onda e o campo magnético mostra-se como um parâmetro importante e explicamos o comportamento das partículas de baixa energia como função desse ângulo. / In this work we investigate the wave-particle interaction of a stationary electrostatic wave that perturbs periodically the system with impulses, represented by the Dirac delta function, and relativistic particles in a magnetized plasma with wavevector in a arbitrary direction. The periodic impulses allow us to place the solution of Hamilton’s equations in the form of a map. Our main interest lies in the possibility of energize particles initially with low energy. To this end, the angle between the wave vector and the magnetic field is an important parameter and we explain the behavior of the low energy particles as function of this angle.

In past years, nanoparticles have been studied as possible platform to be used in biomedicine. In order to establish the application potential of nanoparticles, its impact to biological systems have to be determined. Herein, several silicon-based nanoparticles of different origins were studied in respect of their influence on metabolic activity of human cells, namely osteoblast cell line SAOS-2 and monocytic cell line THP-1. The obtained results proposed that the impact of nanoparticles on cells is highly dependent on cultivation conditions in which nanoparticles are administered to cells. Furthermore, microscopy experiments were implemented in order to localize the particles within cells, where conventional microscopy limitations are evident. Key words: silicon nanoparticles, quantum dots, cell-particle interaction, cytotoxicity

京都大学 / 0048 / 新制・課程博士 / 博士(理学) / 甲第22263号 / 理博第4577号 / 新制||理||1657(附属図書館) / 京都大学大学院理学研究科地球惑星科学専攻 / (主査)教授 田口 聡, 教授 秋友 和典, 准教授 藤 浩明 / 学位規則第4条第1項該当 / Doctor of Science / Kyoto University / DGAM

京都大学 / 0048 / 新制・課程博士 / 博士(工学) / 甲第21070号 / 工博第4434号 / 新制||工||1689(附属図書館) / 京都大学大学院工学研究科電気工学専攻 / (主査)教授 大村 善治, 教授 松尾 哲司, 准教授 小嶋 浩嗣 / 学位規則第4条第1項該当 / Doctor of Philosophy (Engineering) / Kyoto University / DGAM

Stirring tanks are very important equipments used for mixing, separating, chemical reaction, etc. A typical stirring tank is a cylindrical vessel with an agitator driving the fluid and generating turbulence to promote mixing. Flotation cells are widely used stirring tanks in phase separation where multiphase flow is involved. Flotation refers to the process in which air bubbles selectively pick up hydrophobic particles and separate them from hydrophilic solids. This technology is used throughout the mining industry as well as the chemical and petroleum industries. In this research, efforts were made to investigate the multi-phase flow hydrodynamic problems of some flotation cells at different geometrical scales. Pitot-static and five-hope probes were employed to lab- pilot- and commercial-scale tanks for velocity measurements. It was found that the tanks with different scales have similar flow patterns over a range of Reynolds numbers. Based on the velocity measurement results, flotation tanks' performance was evaluated by checking the active volume in the bulk. A fast-response five-hole probe was designed and fabricated to study the turbulence characteristics in flotation cells under single- and multi-phase flow conditions. The jet stream in the rotor-stator domain has much higher turbulence intensity compared with other locations. The turbulent dissipation rate (TDR) in the rotor-stator domain is around 20 times higher than that near tank's wall. The TDR could be used to calculate the bubble and particle slip velocities. An isokinetic sampling probe system was developed to obtain true samples inthe multi-phase flow and then measure the local void fraction. It was found that the air bubbles are carried out by the stream and dispersed to the whole bulk. However, some of the bubbles accumulate in the inactive regions, where higher void fractions were detected. The isokinetic sampling probe was then extended to be an isokinetic borescope system, which was used to detect the bubble-particle aggregates in the tank. Aggregates were found in the high-turbulence level zones. The isokinetic sampling probe and the isokinetic borescope provide new methods for flotation tank tests. An experiment was also set up to study the dynamics of bubble particle impact. Four different modes were found for the collision. The criterion is that if the fluid drainage time is less than the residence time, the attachment will occur, otherwise, the particle will bounce back. / Ph. D.