Dynamic interactions between solids and viscous liquids with free surface = Interacciones dinámicas entre sólidos y líquidos viscosos con superficie libre

En esta tesis se investiga la interacción entre un fluido viscoso y un cuerpo sólido en presencia de una superficie libre. El problema se expresa teóricamente poniendo especial atención a los aspectos de conservación de energía y de la interacción del fluido con el cuerpo. El problema se considera 2D y monofásico, y un desarrollo matemático permite una descomposición de los términos disipativos en términos relacionados con la superficie libre y términos relacionados con la enstrofía. El modelo numérico utilizado en la tesis se basa en el método sin malla Smoothed Particle Hydrodynamics (SPH). De manera análoga a lo que se hace a nivel continuo, las propiedades de conservación se estudian en la tesis con el sistema discreto de partículas. Se tratan también las condiciones de contorno de un cuerpo que se mueve en un flujo viscoso, implementadas con el método ghost-fluid. Se ha desarrollado un algoritmo explícito de interacción fluido / cuerpo. Se han documentado algunos casos de modo detallado con el objetivo de comprobar la capacidad del modelo para reproducir correctamente la disipación de energía y el movimiento del cuerpo. En particular se ha investigado la atenuación de una onda estacionaria, comparando la simulación numérica con predicciones teóricas. Se han realizado otras pruebas para monitorizar la disipación de energía para flujos más violentos que implican la fragmentación de la superficie libre. La cantidad de energía disipada con los diferentes términos se ha evaluado en los casos estudiados con el modelo numérico. Se han realizado otras pruebas numéricas para verificar la técnica de modelización de la interacción fluido / cuerpo, concretamente las fuerzas ejercidas por las olas en cuerpos con formas simples, y el equilibrio de un cuerpo flotante con una forma compleja. Una vez que el modelo numérico ha sido validado, se han realizado simulaciones numéricas para obtener una comprensión más completa de la física implicada en casos (casi) realistas sobre los había aspectos que no se conocían suficientemente. En primer lugar se ha estudiado el el flujo alrededor de un cilindro bajo la superficie libre. El estudio se ha realizado con un número de Reynolds moderado, para un rango de inmersiones del cilindro y números de Froude. La solución numérica permite una investigación de los patrones complejos que se producen. La estela del cilindro interactúa con la superficie libre. Se han identificado algunos inestabilidades características. El segundo estudio se ha realizado sobre el problema de sloshing, tanto experimentalmente como numéricamente. El análisis se restringe a aguas poco profundas y con oscilación horizontal, pero se ha estudiado un gran número de condiciones, lo que lleva a una comprensión bastante completa de los sistemas de onda involucradas. La última parte de la tesis trata también sobre un problema de sloshing pero esta vez el tanque está oscilando con rotación y hay acoplamiento con un sistema mecánico. El sistema se llama pendulum-TLD (Tuned Liquid Damper - con líquido amortiguador). Este tipo de sistema se utiliza normalmente para la amortiguación de las estructuras civiles. El análisis se ha realizado analíticamente, numéricamente y experimentalmente utilizando líquidos con viscosidades diferentes, centrándose en características no lineales y mecanismos de disipación. ABSTRA C T The subject of the present thesis is the interaction between a viscous fluid and a solid body in the presence of a free surface. The problem is expressed first theoretically with a particular focus on the energy conservation and the fluid-body interaction. The problem is considered 2D and monophasic, and some mathematical development allows for a decomposition of the energy dissipation into terms related to the Free Surface and others related to the enstrophy. The numerical model used on the thesis is based on Smoothed Particle Hydrodynamics (SPH): a computational method that works by dividing the fluid into particles. Analogously to what is done at continuum level, the conservation properties are studied on the discrete system of particles. Additionally the boundary conditions for a moving body in a viscous flow are treated and discussed using the ghost-fluid method. An explicit algorithm for handling fluid-body coupling is also developed. Following these theoretical developments on the numerical model, some test cases are devised in order to test the ability of the model to correctly reproduce the energy dissipation and the motion of the body. The attenuation of a standing wave is used to compare what is numerically simulated to what is theoretically predicted. Further tests are done in order to monitor the energy dissipation in case of more violent flows involving the fragmentation of the free-surface. The amount of energy dissipated with the different terms is assessed with the numerical model. Other numerical tests are performed in order to test the fluid/body interaction method: forces exerted by waves on simple shapes, and equilibrium of a floating body with a complex shape. Once the numerical model has been validated, numerical tests are performed in order to get a more complete understanding of the physics involved in (almost) realistic cases. First a study is performed on the flow passing a cylinder under the free surface. The study is performed at moderate Reynolds numbers, for various cylinder submergences, and various Froude numbers. The capacity of the numerical solver allows for an investigation of the complex patterns which occur. The wake from the cylinder interacts with the free surface, and some characteristical flow mechanisms are identified. The second study is done on the sloshing problem, both experimentally and numerically. The analysis is restrained to shallow water and horizontal excitation, but a large number of conditions are studied, leading to quite a complete understanding of the wave systems involved. The last part of the thesis still involves a sloshing problem but this time the tank is rolling and there is coupling with a mechanical system. The system is named pendulum-TLD (Tuned Liquid Damper). This kind of system is normally used for damping of civil structures. The analysis is then performed analytically, numerically and experimentally for using liquids with different viscosities, focusing on non-linear features and dissipation mechanisms.

White luminescence from Si+ and C+ ion-implanted SiO2 films

The microstructural and optical analysis of SiO2 layers emitting white luminescence is reported. These structures have been synthesized by sequential Si+ and C+ ion implantation and high-temperature annealing. Their white emission results from the presence of up to three bands in the photoluminescence (PL) spectra, covering the whole visible spectral range. The microstructural characterization reveals the presence of a complex multilayer structure: Si nanocrystals are only observed outside the main C-implanted peak region, with a lower density closer to the surface, being also smaller in size. This lack of uniformity in their density has been related to the inhibiting role of C in their growth dynamics. These nanocrystals are responsible for the band appearing in the red region of the PL spectrum. The analysis of the thermal evolution of the red PL band and its behavior after hydrogenation shows that carbon implantation also prevents the formation of well passivated Si/SiO2 interfaces. On the other hand, the PL bands appearing at higher energies show the existence of two different characteristics as a function of the implanted dose. For excess atomic concentrations below or equal to 10%, the spectra show a PL band in the blue region. At higher doses, two bands dominate the green¿blue spectral region. The evolution of these bands with the implanted dose and annealing time suggests that they are related to the formation of carbon-rich precipitates in the implanted region. Moreover, PL versus depth measurements provide a direct correlation of the green band with the carbon-implanted profile. These PL bands have been assigned to two distinct amorphous phases, with a composition close to elemental graphitic carbon or stoichiometric SiC.

Role of structural saturation and geometry in the luminescence of silicon-based nanostructured materials

The structural saturation and stability, the energy gap, and the density of states of a series of small, silicon-based clusters have been studied by means of the PM3 and some ab initio (HF/6-31G* and 6-311++G**, CIS/6-31G* and MP2/6-31G*) calculations. It is shown that in order to maintain a stable nanometric and tetrahedral silicon crystallite and remove the gap states, the saturation atom or species such as H, F, Cl, OH, O, or N is necessary, and that both the cluster size and the surface species affect the energetic distribution of the density of states. This research suggests that the visible luminescence in the silicon-based nanostructured material essentially arises from the nanometric and crystalline silicon domains but is affected and protected by the surface species, and we have thus linked most of the proposed mechanisms of luminescence for the porous silicon, e.g., the quantum confinement effect due to the cluster size and the effect of Si-based surface complexes.

Role of structural saturation and geometry in the luminescence of silicon-based nanostructured materials

The structural saturation and stability, the energy gap, and the density of states of a series of small, silicon-based clusters have been studied by means of the PM3 and some ab initio (HF/6-31G* and 6-311++G**, CIS/6-31G* and MP2/6-31G*) calculations. It is shown that in order to maintain a stable nanometric and tetrahedral silicon crystallite and remove the gap states, the saturation atom or species such as H, F, Cl, OH, O, or N is necessary, and that both the cluster size and the surface species affect the energetic distribution of the density of states. This research suggests that the visible luminescence in the silicon-based nanostructured material essentially arises from the nanometric and crystalline silicon domains but is affected and protected by the surface species, and we have thus linked most of the proposed mechanisms of luminescence for the porous silicon, e.g., the quantum confinement effect due to the cluster size and the effect of Si-based surface complexes.

Diffusion of Oxygen and Nitrogen in the Ti-15Mo Alloy used for Biomedical Applications

The Ti-15Mo alloy is a promising material for use as a biomaterial because of its excellent corrosion resistance and its good combination of mechanical properties, such as fatigue, hardness, and wears resistance. This alloy has a body-centered predominantly cubic crystalline structure and the addition of interstitial atoms, such as oxygen and nitrogen, strongly alters its mechanical properties. Mechanical spectroscopy is a powerful tool to study the interaction of interstitial elements with the matrix metal or substitutional solutes, providing information such as the distribution and the concentration of interstitial elements. The objective of this paper is to study of the effects of heavy interstitial elements, such as oxygen and nitrogen, on the anelastic properties of the Ti-15Mo alloy by using mechanical spectroscopy measurements. In this study, the diffusion coefficients, pre-exponential factors, and activation energies were calculated for the oxygen in the Ti-15Mo alloy.