Numerical studies of colloidal systems

The interplay of hydrodynamic and electrostatic forces is of great importance for the understanding of colloidal dispersions. Theoretical descriptions are often based on the so called standard electrokinetic model. This Mean Field approach combines the Stokes equation for the hydrodynamic flow field, the Poisson equation for electrostatics and a continuity equation describing the evolution of the ion concentration fields. In the first part of this thesis a new lattice method is presented in order to efficiently solve the set of non-linear equations for a charge-stabilized colloidal dispersion in the presence of an external electric field. Within this framework, the research is mainly focused on the calculation of the electrophoretic mobility. Since this transport coefficient is independent of the electric field only for small driving, the algorithm is based upon a linearization of the governing equations. The zeroth order is the well known Poisson-Boltzmann theory and the first order is a coupled set of linear equations. Furthermore, this set of equations is divided into several subproblems. A specialized solver for each subproblem is developed, and various tests and applications are discussed for every particular method. Finally, all solvers are combined in an iterative procedure and applied to several interesting questions, for example, the effect of the screening mechanism on the electrophoretic mobility or the charge dependence of the field-induced dipole moment and ion clouds surrounding a weakly charged sphere. In the second part a quantitative data analysis method is developed for a new experimental approach, known as "Total Internal Reflection Fluorescence Cross-Correlation Spectroscopy" (TIR-FCCS). The TIR-FCCS setup is an optical method using fluorescent colloidal particles to analyze the flow field close to a solid-fluid interface. The interpretation of the experimental results requires a theoretical model, which is usually the solution of a convection-diffusion equation. Since an analytic solution is not available due to the form of the flow field and the boundary conditions, an alternative numerical approach is presented. It is based on stochastic methods, i. e. a combination of a Brownian Dynamics algorithm and Monte Carlo techniques. Finally, experimental measurements for a hydrophilic surface are analyzed using this new numerical approach.

2D and 3D numerical modelling of multilayer detachment folding and salt tectonics

Numerical modelling was performed to study the dynamics of multilayer detachment folding and salt tectonics. In the case of multilayer detachment folding, analytically derived diagrams show several folding modes, half of which are applicable to crustal scale folding. 3D numerical simulations are in agreement with 2D predictions, yet fold interactions result in complex fold patterns. Pre-existing salt diapirs change folding patterns as they localize the initial deformation. If diapir spacing is much smaller than the dominant folding wavelength, diapirs appear in fold synclines or limbs.rnNumerical models of 3D down-building diapirism show that sedimentation rate controls whether diapirs will form and influences the overall patterns of diapirism. Numerical codes were used to retrodeform modelled salt diapirs. Reverse modelling can retrieve the initial geometries of a 2D Rayleigh-Taylor instability with non-linear rheologies. Although intermediate geometries of down-built diapirs are retrieved, forward and reverse modelling solutions deviate. rnFinally, the dynamics of fold-and-thrusts belts formed over a tilted viscous detachment is studied and it is demonstrated that mechanical stratigraphy has an impact on the deformation style, switching from thrust- to folding-dominated. The basal angle of the detachment controls the deformation sequence of the fold-and-thrust belt and results are consistent with critical wedge theory.rn

Numerical simulation of some viscoelastic fluids

Numerical simulation of the Oldroyd-B type viscoelastic fluids is a very challenging problem. rnThe well-known High Weissenberg Number Problem" has haunted the mathematicians, computer scientists, and rnengineers for more than 40 years. rnWhen the Weissenberg number, which represents the ratio of elasticity to viscosity, rnexceeds some limits, simulations done by standard methods break down exponentially fast in time. rnHowever, some approaches, such as the logarithm transformation technique can significantly improve rnthe limits of the Weissenberg number until which the simulations stay stable. rnrnWe should point out that the global existence of weak solutions for the Oldroyd-B model is still open. rnLet us note that in the evolution equation of the elastic stress tensor the terms describing diffusive rneffects are typically neglected in the modelling due to their smallness. However, when keeping rnthese diffusive terms in the constitutive law the global existence of weak solutions in two-space dimension rncan been shown. rnrnThis main part of the thesis is devoted to the stability study of the Oldroyd-B viscoelastic model. rnFirstly, we show that the free energy of the diffusive Oldroyd-B model as well as its rnlogarithm transformation are dissipative in time. rnFurther, we have developed free energy dissipative schemes based on the characteristic finite element and finite difference framework. rnIn addition, the global linear stability analysis of the diffusive Oldroyd-B model has also be discussed. rnThe next part of the thesis deals with the error estimates of the combined finite element rnand finite volume discretization of a special Oldroyd-B model which covers the limiting rncase of Weissenberg number going to infinity. Theoretical results are confirmed by a series of numerical rnexperiments, which are presented in the thesis, too.

Analysis and numerical solution of the Peterlin viscoelastic model

Liquids and gasses form a vital part of nature. Many of these are complex fluids with non-Newtonian behaviour. We introduce a mathematical model describing the unsteady motion of an incompressible polymeric fluid. Each polymer molecule is treated as two beads connected by a spring. For the nonlinear spring force it is not possible to obtain a closed system of equations, unless we approximate the force law. The Peterlin approximation replaces the length of the spring by the length of the average spring. Consequently, the macroscopic dumbbell-based model for dilute polymer solutions is obtained. The model consists of the conservation of mass and momentum and time evolution of the symmetric positive definite conformation tensor, where the diffusive effects are taken into account. In two space dimensions we prove global in time existence of weak solutions. Assuming more regular data we show higher regularity and consequently uniqueness of the weak solution. For the Oseen-type Peterlin model we propose a linear pressure-stabilized characteristics finite element scheme. We derive the corresponding error estimates and we prove, for linear finite elements, the optimal first order accuracy. Theoretical error of the pressure-stabilized characteristic finite element scheme is confirmed by a series of numerical experiments.

Computing primal solutions with exact arithmetics in SCIP.

The research for exact solutions of mixed integer problems is an active topic in the scientific community. State-of-the-art MIP solvers exploit a floating- point numerical representation, therefore introducing small approximations. Although such MIP solvers yield reliable results for the majority of problems, there are cases in which a higher accuracy is required. Indeed, it is known that for some applications floating-point solvers provide falsely feasible solutions, i.e. solutions marked as feasible because of approximations that would not pass a check with exact arithmetic and cannot be practically implemented. The framework of the current dissertation is SCIP, a mixed integer programs solver mainly developed at Zuse Institute Berlin. In the same site we considered a new approach for exactly solving MIPs. Specifically, we developed a constraint handler to plug into SCIP, with the aim to analyze the accuracy of provided floating-point solutions and compute exact primal solutions starting from floating-point ones. We conducted a few computational experiments to test the exact primal constraint handler through the adoption of two main settings. Analysis mode allowed to collect statistics about current SCIP solutions' reliability. Our results confirm that floating-point solutions are accurate enough with respect to many instances. However, our analysis highlighted the presence of numerical errors of variable entity. By using the enforce mode, our constraint handler is able to suggest exact solutions starting from the integer part of a floating-point solution. With the latter setting, results show a general improvement of the quality of provided final solutions, without a significant loss of performances.

Numerical Computation of a Certain Dirichlet Series Attached to Siegel Modular Forms of Degree Two

The Rankin convolution type Dirichlet series D-F,D-G(s) of Siegel modular forms F and G of degree two, which was introduced by Kohnen and the second author, is computed numerically for various F and G. In particular, we prove that the series D-F,D-G(s), which shares the same functional equation and analytic behavior with the spinor L-functions of eigenforms of the same weight are not linear combinations of those. In order to conduct these experiments a numerical method to compute the Petersson scalar products of Jacobi Forms is developed and discussed in detail.

Coupling time-stepping numerical methods and standard aerodynamics codes for instability analysis of flows in complex geometries

The development of a global instability analysis code coupling a time-stepping approach, as applied to the solution of BiGlobal and TriGlobal instability analysis 1, 2 and finite-volume-based spatial discretization, as used in standard aerodynamics codes is presented. The key advantage of the time-stepping method over matrix-formulation approaches is that the former provides a solution to the computer-storage issues associated with the latter methodology. To-date both approaches are successfully in use to analyze instability in complex geometries, although their relative advantages have never been quantified. The ultimate goal of the present work is to address this issue in the context of spatial discretization schemes typically used in industry. The time-stepping approach of Chiba 3 has been implemented in conjunction with two direct numerical simulation algorithms, one based on the typically-used in this context high-order method and another based on low-order methods representative of those in common use in industry. The two codes have been validated with solutions of the BiGlobal EVP and it has been showed that small errors in the base flow do not have affect significantly the results. As a result, a three-dimensional compressible unsteady second-order code for global linear stability has been successfully developed based on finite-volume spatial discretization and time-stepping method with the ability to study complex geometries by means of unstructured and hybrid meshes

Low-cost retrofitting solutions for RC frames using masonry infill panels

A large number of reinforced concrete (RC) frame structures built in earthquake-prone areas such as Haiti are vulnerable to strong ground motions. Structures in developing countries need low-cost seismic retrofit solutions to reduce their vulnerability. This paper investigates the feasibility of using masonry infill walls to reduce deformations and damage caused by strong ground motions in brittle and weak RC frames designed only for gravity loads. A numerical experiment was conducted in which several idealized prototypes representing RC frame structures of school buildings damaged during the Port-au-Prince earthquake (Haiti, 2010) were strengthened by adding elements representing masonry infill walls arranged in different configurations. Each configuration was characterized by the ratio Rm of the area of walls in the direction of the ground motion (in plan) installed in each story to the total floor area. The numerical representations of these idealized RC frame structures with different values of Rm were (hypothetically) subjected to three major earthquakes with peak ground accelerations of approximately 0.5g. The results of the non-linear dynamic response analyses were summarized in tentative relationships between Rm and four parameters commonly used to characterize the seismic response of structures: interstory drift, Park and Ang indexes of damage, and total amount of energy dissipated by the main frame. It was found that Rm=4% is a reasonable minimum design value for seismic retrofitting purposes in cases in which available resources are not sufficient to afford conventional retrofit measures.

The analytic hierarchy process to support decision-making processes in infrastructure projects with social impact

There is an increasing awareness among all kinds of organisations (in business,government and civil society) about the benefits of jointly working with stakeholders to satisfy both their goals and the social demands placed upon them. This is particularly the case within corporate social responsibility (CSR) frameworks. In this regard, multi-criteria tools for decision-making like the analytic hierarchy process (AHP) described in the paper can be useful for the building relationships with stakeholders. Since these tools can reveal decision-maker’s preferences, the integration of opinions from various stakeholders in the decision-making process may result in better and more innovative solutions with significant shared value. This paper is based on ongoing research to assess the feasibility of an AHP-based model to support CSR decisions in large infrastructure projects carried out by Red Electrica de España, the sole transmission agent and operator of the Spanishelectricity system.

Accurate Parabolic Navier-Stokes solutions of the supersonic flow around and elliptic cone

Flows of relevance to new generation aerospace vehicles exist, which are weakly dependent on the streamwise direction and strongly dependent on the other two spatial directions, such as the flow around the (flattened) nose of the vehicle and the associated elliptic cone model. Exploiting these characteristics, a parabolic integration of the Navier-Stokes equations is more appropriate than solution of the full equations, resulting in the so-called Parabolic Navier-Stokes (PNS). This approach not only is the best candidate, in terms of computational efficiency and accuracy, for the computation of steady base flows with the appointed properties, but also permits performing instability analysis and laminar-turbulent transition studies a-posteriori to the base flow computation. This is to be contrasted with the alternative approach of using order-of-magnitude more expensive spatial Direct Numerical Simulations (DNS) for the description of the transition process. The PNS equations used here have been formulated for an arbitrary coordinate transformation and the spatial discretization is performed using a novel stable high-order finite-difference-based numerical scheme, ensuring the recovery of highly accurate solutions using modest computing resources. For verification purposes, the boundary layer solution around a circular cone at zero angle of attack is compared in the incompressible limit with theoretical profiles. Also, the recovered shock wave angle at supersonic conditions is compared with theoretical predictions in the same circular-base cone geometry. Finally, the entire flow field, including shock position and compressible boundary layer around a 2:1 elliptic cone is recovered at Mach numbers 3 and 4

Discontinuous solutions and boundary value problems for non-linearly elastic fibre-reinforced materials

En este trabajo se han analizado varios problemas en el contexto de la elasticidad no lineal basándose en modelos constitutivos representativos. En particular, se han analizado problemas relacionados con el fenómeno de perdida de estabilidad asociada con condiciones de contorno en el caso de material reforzados con fibras. Cada problema se ha formulado y se ha analizado por separado en diferentes capítulos. En primer lugar se ha mostrado el análisis del gradiente de deformación discontinuo para un material transversalmente isótropo, en particular, el modelo del material considerado consiste de una base neo-Hookeana isótropa incrustada con fibras de refuerzo direccional caracterizadas con un solo parámetro. La solución de este problema se vincula con instabilidades que dan lugar al mecanismo de fallo conocido como banda de cortante. La perdida de elipticidad de las ecuaciones diferenciales de equilibrio es una condición necesaria para que aparezca este tipo de soluciones y por tanto las inestabilidades asociadas. En segundo lugar se ha analizado una deformación combinada de extensión, inación y torsión de un tubo cilíndrico grueso donde se ha encontrado que la deformación citada anteriormente puede ser controlada solo para determinadas direcciones de las fibras refuerzo. Para entender el comportamiento elástico del tubo considerado se ha ilustrado numéricamente los resultados obtenidos para las direcciones admisibles de las fibras de refuerzo bajo la deformación considerada. En tercer lugar se ha estudiado el caso de un tubo cilíndrico grueso reforzado con dos familias de fibras sometido a cortante en la dirección azimutal para un modelo de refuerzo especial. En este problema se ha encontrado que las inestabilidades que aparecen en el material considerado están asociadas con lo que se llama soluciones múltiples de la ecuación diferencial de equilibrio. Se ha encontrado que el fenómeno de instabilidad ocurre en un estado de deformación previo al estado de deformación donde se pierde la elipticidad de la ecuación diferencial de equilibrio. También se ha demostrado que la condición de perdida de elipticidad y ^W=2 = 0 (la segunda derivada de la función de energía con respecto a la deformación) son dos condiciones necesarias para la existencia de soluciones múltiples. Finalmente, se ha analizado detalladamente en el contexto de elipticidad un problema de un tubo cilíndrico grueso sometido a una deformación combinada en las direcciones helicoidal, axial y radial para distintas geotermias de las fibras de refuerzo . In the present work four main problems have been addressed within the framework of non-linear elasticity based on representative constitutive models. Namely, problems related to the loss of stability phenomena associated with boundary value problems for fibre-reinforced materials. Each of the considered problems is formulated and analysed separately in different chapters. We first start with the analysis of discontinuous deformation gradients for a transversely isotropic material under plane deformation. In particular, the material model is an augmented neo-Hookean base with a simple unidirectional reinforcement characterised by a single parameter. The solution of this problem is related to material instabilities and it is associated with a shear band-type failure mode. The loss of ellipticity of the governing differential equations is a necessary condition for the existence of these material instabilities. The second problem involves a detailed analysis of the combined non-linear extension, inflation and torsion of a thick-walled circular cylindrical tube where it has been found that the aforementioned deformation is controllable only for certain preferred directions of transverse isotropy. Numerical results have been illustrated to understand the elastic behaviour of the tube for the admissible preferred directions under the considered deformation. The third problem deals with the analysis of a doubly fibre-reinforced thickwalled circular cylindrical tube undergoing pure azimuthal shear for a special class of the reinforcing model where multiple non-smooth solutions emerge. The associated instability phenomena are found to occur prior to the point where the nominal stress tensor changes monotonicity in a particular direction. It has been also shown that the loss of ellipticity condition that arises from the equilibrium equation and ^W=2 = 0 (the second derivative of the strain-energy function with respect to the deformation) are equivalent necessary conditions for the emergence of multiple solutions for the considered material. Finally, a detailed analysis in the basis of the loss of ellipticity of the governing differential equations for a combined helical, axial and radial elastic deformations of a fibre-reinforced circular cylindrical tube is carried out.

Sheath vaporization of a monodisperse fuel-spray jet

The group vaporization of a monodisperse fuel-spray jet discharging into a hot coflowing gaseous stream is investigated for steady flow by numerical and asymptotic methods with a two-continua formulation used for the description of the gas and liquid phases. The jet is assumed to be slender and laminar, as occurs when the Reynolds number is moderately large, so that the boundary-layer form of the conservation equations can be employed in the analysis. Two dimensionless parameters are found to control the flow structure, namely the spray dilution parameter 1, defined as the mass of liquid fuel per unit mass of gas in the spray stream, and the group vaporization parameter e, defined as the ratio of the characteristic time of spray evolution due to droplet vaporization to the characteristic diffusion time across the jet. It is observed that, for the small values of e often encountered in applications, vaporization occurs only in a thin layer separating the spray from the outer droplet-free stream. This regime of sheath vaporization, which is controlled by heat conduction, is amenable to a simplified asymptotic description, independent of ε,in which the location of the vaporization layer is determined numerically as a free boundary in a parabolic problem involving matching of the separate solutions in the external streams, with appropriate jump conditions obtained from analysis of the quasi-steady vaporization front. Separate consideration of dilute and dense sprays, corresponding, respectively, to the asymptotic limits λ<<1 and λ>>1, enables simplified descriptions to be obtained for the different flow variables, including explicit analytic expressions for the spray penetration distance.

Laminar counterflow parallel-plate heat exchangers: Exact and approximate solutions

Multilayered, counterflow, parallel-plate heat exchangers are analyzed numerically and theoretically. The analysis, carried out for constant property fluids, considers a hydrodynamically developed laminar flow and neglects longitudinal conduction both in the fluid and in the plates. The solution for the temperature field involves eigenfunction expansions that can be solved in terms of Whittaker functions using standard symbolic algebra packages, leading to analytical expressions that provide the eigenvalues numerically. It is seen that the approximate solution obtained by retaining the first two modes in the eigenfunction expansion provides an accurate representation for the temperature away from the entrance regions, specially for long heat exchangers, thereby enabling simplified expressions for the wall and bulk temperatures, local heat-transfer rate, overall heat-transfer coefficient, and outlet bulk temperatures. The agreement between the numerical and theoretical results suggests the possibility of using the analytical solutions presented herein as benchmark problems for computational heat-transfer codes.

Application of global numerical procedures to the analysis of shells

Examples of global solutions of the shell equations are presented, such as the ones based on the well known Levy series expansion. Also discussed are some natural extensions of the Levy method as well as the inherent limitations of these methods concerning the shell model assumptions, boundary conditions and geometric regularity. Finally, some open additional design questions are noted mainly related to the simultaneous use in analysis of these global techniques and the local methods (like the finite elements) to finding the optimal shell shape, and to determining the reinforcement layout.

Análisis y optimización de la resistencia de interferencia en multicascos

Esta tesis presenta un estudio de la resistencia de interferencia en multicascos, término que engloba las variaciones en la resistencia al avance debidas a la interacción entre cascos. Su característica más notable es que puede ser tanto positiva como negativa, contribuyendo favorablemente en este último caso a la reducción de la resistencia total. Su análisis permanece como un área activa dentro de la comunidad hidrodinámica, si bien se ha detectado una significativa falta de información experimental sobre el flujo entre cascos. En primer lugar se incluye una caracterización de los fenómenos de interferencia, evaluando su impacto en las diferentes componentes de la resistencia al avance. Al igual que la resistencia total, su predicción requiere el uso de técnicas experimentales o numéricas al ser inviable su solución analítica. Ambos procedimientos han sido considerados en esta tesis. El análisis experimental de la resistencia de interferencia supone el núcleo central del trabajo realizado. Se han ensayado dos geometrías diferentes, un catamarán de servicio comercial PESBO junto con un catamarán compuesto por dos Serie 60 (S60) en paralelo. Los ensayos se han llevado a cabo en dos canales de experiencias, CEHINAV y CEHIPAR, midiéndose resistencia al avance, asiento y trimados dinámicos, y cortes de olas en la zona entre cascos. Mención especial a estos últimos, dado que a pesar de ser en la zona central donde ocurren los principales efectos de interferencia, no se encontró información previa publicada en la literatura. Su medición requirió la fabricación de un sistema de soporte especifico para las probetas de medición. Por otro lado, aunque el Serie 60 es una geometría bien conocida en la comunidad hidrodinámica, a conocimiento del autor su comportamiento como multicasco no había sido aun caracterizado experimentalmente. Los bastidores de unión se fabricaron de forma que permitieran variar la separación entre cascos. Además, los multicascos son en general embarcaciones de alta velocidad mostrando asientos y trimados dinámicos significativos. Para cuantificar su efecto en la resistencia total y de interferencia se construyo un sistema de fijación del modelo al carro que los restringiera, posibilitando comparar los resultados en esta condición con los del modelo libre. Como resultado, se han obtenido resultados experimentales de las dos geometrías estudiadas con múltiples separaciones, incluyendo un solo casco, y con modelo fijo y libre. Una de las principales utilidades de los resultados experimentales es servir como referencia para validar modelos de predicción. Como primera aplicación, los datos experimentales obtenidos con el catamarán S60 se han contrastado con las predicciones numéricas de Yeung et al. (2004). El análisis numérico de la resistencia de interferencia se completa con la realización de simulaciones numéricas utilizando dos códigos substancialmente diferentes: Tdynlin y CD--‐Adapco Star--‐CCM+. Los cortes de olas obtenidos en las simulaciones se comparan con los valores experimentales, mostrándose además los campos de presiones y velocidades calculados sobre el casco. La principal aportación de esta tesis es una extensa caracterización experimental de los fenómenos de interferencia, con la intención de servir de referencia para futuros estudios con multicascos. El análisis de los resultados permite comprender mejor el impacto que la interacción entre cascos, así como las variaciones dinámicas de las condiciones de navegación, tienen en las diferentes componentes de la resistencia. Por otro lado, permite apreciar la dependencia de la resistencia de interferencia con la velocidad y separación entre cascos, de cara a su utilización como parámetro de diseño. ABSTRACT This thesis presents a study of the interference resistance in multihulls, which comprises all the variations in the ship resistance due to the interaction between hulls. Its most remarkable characteristic is that it can be positive or negative, contributing in the second case to the reduction of the total ship resistance. Its study remains an active area in the hydrodynamic community, although there is a significant lack of published experimental data regarding the flow between hulls. First of all, the interference phenomena are characterized, evaluating the impact in the different components of the ship resistance. Similar to the total resistance, their prediction requires experimental or numerical techniques, as no analytic solutions are known. Both procedures have been considered in this thesis. The experimental analysis of the interference resistance is the core of the work done. Two different geometries have been tested, a commercial catamaran PESBO and a catamaran composed by two parallel Series 60 (S60). The tests have been carried out in two towing tanks, CEHINAV and CEHIPAR, measuring ship resistance, dynamic sinkage and trim, and wave cuts in--‐between the hulls. Special mention to the wave cuts, as no previous published information was found regarding this zone, even if it is where the main interference effects happen. Their measurement required building a support tripod for the probes, specifically designed for this experimental campaign. In addition, although the Series 60 is a well known hull for experimental and computational analyses, to the author’s knowledge its behavior as a multihull had not yet been experimentally described. The connection frames between the hulls were built so they allowed adjusting the hull spacing. Furthermore, multihulls are usually high--‐speed vessels, acquiring significant dynamic sinkage and trim. To quantify the effect of these dynamic variations of the interference resistance, a clamping system was developed to fixed the model and compare the results with the free model condition. Thus, experimental results have been obtained for various hull separations with the two geometries analyzed, including a single hull, and with free and fixed model. One of the main applications of experimental results is to serve as a reference to validate prediction models. As a first step, the obtained experimental data with the catamaran S60 have been compared with the numerical predictions of Yeung et al. (2004). The numerical analysis of the interference resistance is completed with the inclusion of numerical simulations using two codes substantially different: Tdynlin and CD--‐Adapco Star--‐CCM+. The wave cuts obtained from the simulations are compared with the experimental ones, showing also the pressure and velocity fields over the hulls. The main contribution of this thesis is an extensive experimental characterization of the interference phenomena, aiming to serve as reference for future studies about multihulls. The analysis of the results provides insights into the impact that the interaction between hulls, as well as the dynamic variations of the sailing conditions, have in the different components of the ship resistance. Moreover, it allows us to observe the dependence of the interference resistance on the velocity and hull spacing, useful towards its use as a design parameter.