Self-consistent numerical dispersion relation of the ablative Rayleigh-Taylor instability of double ablation fronts in inertial confinement fusion

The linear stability analysis of accelerated double ablation fronts is carried out numerically with a self-consistent approach. Accurate hydrodynamic profiles are taken into account in the theoretical model by means of a fitting parameters method using 1D simulation results. Numerical dispersión relation is compared to an analytical sharp boundary model [Yan˜ez et al., Phys. Plasmas 18, 052701 (2011)] showing an excellent agreement for the radiation dominated regime of very steep ablation fronts, and the stabilization due to smooth profiles. 2D simulations are presented to validate the numerical self-consistent theory.

EPIC (Entorno de Páncreas Artificial con Interfaz Clínica)

La Diabetes Mellitus se define como el trastorno del metabolismo de los carbohidratos, resultante de una producción insuficiente o nula de insulina en las células beta del páncreas, o la manifestación de una sensibilidad reducida a la insulina por parte del sistema metabólico. La diabetes tipo 1 se caracteriza por la nula producción de insulina por la destrucción de las células beta del páncreas. Si no hay insulina en el torrente sanguíneo, la glucosa no puede ser absorbida por las células, produciéndose un estado de hiperglucemia en el paciente, que a medio y largo plazo si no es tratado puede ocasionar severas enfermedades, conocidos como síndromes de la diabetes. La diabetes tipo 1 es una enfermedad incurable pero controlable. La terapia para esta enfermedad consiste en la aplicación exógena de insulina con el objetivo de mantener el nivel de glucosa en sangre dentro de los límites normales. Dentro de las múltiples formas de aplicación de la insulina, en este proyecto se usará una bomba de infusión, que unida a un sensor subcutáneo de glucosa permitirá crear un lazo de control autónomo que regule la cantidad optima de insulina aplicada en cada momento. Cuando el algoritmo de control se utiliza en un sistema digital, junto con el sensor subcutáneo y bomba de infusión subcutánea, se conoce como páncreas artificial endocrino (PAE) de uso ambulatorio, hoy día todavía en fase de investigación. Estos algoritmos de control metabólico deben de ser evaluados en simulación para asegurar la integridad física de los pacientes, por lo que es necesario diseñar un sistema de simulación mediante el cual asegure la fiabilidad del PAE. Este sistema de simulación conecta los algoritmos con modelos metabólicos matemáticos para obtener una visión previa de su funcionamiento. En este escenario se diseñó DIABSIM, una herramienta desarrollada en LabViewTM, que posteriormente se trasladó a MATLABTM, y basada en el modelo matemático compartimental propuesto por Hovorka, con la que poder simular y evaluar distintos tipos de terapias y reguladores en lazo cerrado. Para comprobar que estas terapias y reguladores funcionan, una vez simulados y evaluados, se tiene que pasar a la experimentación real a través de un protocolo de ensayo clínico real, como paso previo al PEA ambulatorio. Para poder gestionar este protocolo de ensayo clínico real para la verificación de los algoritmos de control, se creó una interfaz de usuario a través de una serie de funciones de simulación y evaluación de terapias con insulina realizadas con MATLABTM (GUI: Graphics User Interface), conocido como Entorno de Páncreas artificial con Interfaz Clínica (EPIC). EPIC ha sido ya utilizada en 10 ensayos clínicos de los que se han ido proponiendo posibles mejoras, ampliaciones y/o cambios. Este proyecto propone una versión mejorada de la interfaz de usuario EPIC propuesta en un proyecto anterior para gestionar un protocolo de ensayo clínico real para la verificación de algoritmos de control en un ambiente hospitalario muy controlado, además de estudiar la viabilidad de conectar el GUI con SimulinkTM (entorno gráfico de Matlab de simulación de sistemas) para su conexión con un nuevo simulador de pacientes aprobado por la JDRF (Juvenil Diabetes Research Foundation). SUMMARY The diabetes mellitus is a metabolic disorder of carbohydrates, as result of an insufficient or null production of insulin in the beta cellules of pancreas, or the manifestation of a reduced sensibility to the insulin from the metabolic system. The type 1 diabetes is characterized for a null production of insulin due to destruction of the beta cellules. Without insulin in the bloodstream, glucose can’t be absorbed by the cellules, producing a hyperglycemia state in the patient and if pass a medium or long time and is not treated can cause severe disease like diabetes syndrome. The type 1 diabetes is an incurable disease but controllable one. The therapy for this disease consists on the exogenous insulin administration with the objective to maintain the glucose level in blood within the normal limits. For the insulin administration, in this project is used an infusion pump, that permit with a subcutaneous glucose sensor, create an autonomous control loop that regulate the optimal insulin amount apply in each moment. When the control algorithm is used in a digital system, with the subcutaneous senor and infusion subcutaneous pump, is named as “Artificial Endocrine Pancreas” for ambulatory use, currently under investigate. These metabolic control algorithms should be evaluates in simulation for assure patients’ physical integrity, for this reason is necessary to design a simulation system that assure the reliability of PAE. This simulation system connects algorithms with metabolic mathematics models for get a previous vision of its performance. In this scenario was created DIABSIMTM, a tool developed in LabView, that later was converted to MATLABTM, and based in the compartmental mathematic model proposed by Hovorka that could simulate and evaluate several different types of therapy and regulators in closed loop. To check the performance of these therapies and regulators, when have been simulated and evaluated, will be necessary to pass to real experimentation through a protocol of real clinical test like previous step to ambulatory PEA. To manage this protocol was created an user interface through the simulation and evaluation functions od therapies with insulin realized with MATLABTM (GUI: Graphics User Interface), known as “Entorno de Páncreas artificial con Interfaz Clínica” (EPIC).EPIC have been used in 10 clinical tests which have been proposed improvements, adds and changes. This project proposes a best version of user interface EPIC proposed in another project for manage a real test clinical protocol for checking control algorithms in a controlled hospital environment and besides studying viability to connect the GUI with SimulinkTM (Matlab graphical environment in systems simulation) for its connection with a new patients simulator approved for the JDRF (Juvenil Diabetes Research Foundation).

Estudio Acústico del Teatro Tomás y Valiente de Fuenlabrada

El objetivo de este Proyecto Fin de Carrera es realizar el estudio de las características acústicas del Teatro Tomás y Valiente de Fuenlabrada mediante medidas y con el apoyo de los resultados obtenidos mediante la simulación del campo sonoro. El recinto está destinado principalmente a representaciones teatrales, empleándose también como sala polivalente, de forma que se analizará su comportamiento acústico e idoneidad ante la variedad de usos a los que se destina. Para ello, se realizan medidas experimentales in situ de todos los parámetros representativos de un recinto acústico y la predicción de los mismos mediante la simulación de la sala a través del software de simulación acústica EASE, de forma que las características acústicas obtenidas mediante ambos procesos sean comparadas proponiéndose mejoras en el entorno para cumplimiento de parámetros acústicos óptimos exigibles a la sala. En primer lugar se exponen los principales conceptos teóricos a tener en cuenta en el ámbito de la acústica, detallando las diferentes teorías de estudio, los principios básicos de la psicoacústica. Además, se definen los criterios utilizados en el diseño de recintos acústicos y parámetros que definan la calidad según el uso al que se destine en función del estudio de la utilización habitual de la sala y valores óptimos de los parámetros acústicos correspondientes a salas de tamaño y uso similar. A continuación, se describe la metodología aplicada para la realización de las medidas in situ obteniendo resultados de los parámetros acústicos representativos del recinto para el análisis de sus características acústicas y posterior comparación con la predicción de los mismos mediante la simulación del modelo informático. También se muestra el proceso que se ha seguido para el diseño del modelo acústico a partir de los planos del teatro y medidas realizadas en el recinto, para la simulación de parámetros y características acústicas. Finalmente se exponen las conclusiones extraídas tras el estudio realizado y la propuesta de mejoras en el entorno para cumplimiento de parámetros acústicos óptimos que se puedan exigir a esta sala, incluyendo un presupuesto que muestre la viabilidad económica del proyecto. ABSTRACT. The goal of this final project, is to perform an acoustic study and simulation of the Tomás y Valiente theatre in Fuenlabrada. These premises are mainly used for stage plays, but also as a multipurpose space, therefore its acustic behaviour and suitability for the expected uses will be analyzed. To accomplish this task, experimental measures for all the representative parameters for an acoustic hall, will be taken on site. The prediction for those measurements will be simulated through EASE software, so the acoustic characteristics obtained using both methods will be compared, and improvements will be proposed in order to achieve the best acoustic parameters, the hall can have. First at all, the theoretical concepts definition involves exposing the main concepts to consider in the acoustics field, detailing the basic principles of the psychoacoustic. On top of the criteria used in the design of acoustic enclosures and parameters defining the quality according to the use the enclosure is intended for. Research on the most common usage for the space, and optimal values, comparing it with similar rooms in size and use. Experimental measures are made of the acoustic parameters representative of the enclosure for the analysis of its acoustic characteristics and its later comparison with the prediction of the parameters through informatics model simulation. Also the process which has been followed for the design of acoustic model of the theater are taken from on site measurements, experimental representative measures and acoustic parameters, for the acoustic characteristics analysis and post comparison with the software model simulation and prediction. Acoustic design of the theater taking as a base the building blueprints, and manual measures, for the parameters and acoustic characteristics simulation. Finally, the conclusions extracted after the performed research are shown and the propose of improvements in the environment for fulfillment of acoustic optimal parameters which can be required to this room, including a quote with shows the economical viability of the project.

Experimental and numerical study of bond response in structural concrete with corroded steel bars

Corrosion can affect the bond between reinforcing bars and concrete and hence the transfer of longitudinal stresses. Although a number of experimental studies on bond failure have been conducted in recent years, the findings have diverged rather widely, due primarily to differing test conditions. The present paper reports on an experimental programme consisting of eccentric pull-out tests run on corroded steel bars in specimens subjected to accelerated or natural corrosion. An axisymmetric bi-dimensional FE model with finite deformations initially developed to study bond mechanics with sound steel bars, has been enhanced to consider bond effects in corroded steel bars. The model simulation is compared to some of the experimental results for corroded and sound bars and the findings are analysed.

Validation of the burn-up code EVOLCODE 2.0 with PWR experimental data and with a Sensitivity/Uncertainty analysis

A validation of the burn-up simulation system EVOLCODE 2.0 is presented here, involving the experimental measurement of U and Pu isotopes and some fission fragments production ratios after a burn-up of around 30 GWd/tU in a Pressurized Light Water Reactor (PWR). This work provides an in-depth analysis of the validation results, including the possible sources of the uncertainties. An uncertainty analysis based on the sensitivity methodology has been also performed, providing the uncertainties in the isotopic content propagated from the cross sections uncertainties. An improvement of the classical Sensitivity/ Uncertainty (S/U) model has been developed to take into account the implicit dependence of the neutron flux normalization, that is, the effect of the constant power of the reactor. The improved S/U methodology, neglected in this kind of studies, has proven to be an important contribution to the explanation of some simulation-experiment discrepancies for which, in general, the cross section uncertainties are, for the most relevant actinides, an important contributor to the simulation uncertainties, of the same order of magnitude and sometimes even larger than the experimental uncertainties and the experiment- simulation differences. Additionally, some hints for the improvement of the JEFF3.1.1 fission yield library and for the correction of some errata in the experimental data are presented.

Evaluation/Optimization of reservoir operation rules for flood management using an integrated hydrologic-hydraulic framework

Se ha presentado la evaluación y optimización de las reglas de operación de un embalse para gestión de avenidas usando un entorno integrado hidrológico- hidráulico de tipo Monte Carlo. Some reservoirs play a major role in flood protection, managing the floods and reducing or delaying the peak discharges in the river downstream. However, the changing environment (natural and anthropological changes) requires the development of more elaborated strategies for reservoir operation. Three factors are relevant: 1) the natural variability of inflow hydrographs, 2) the competition for reservoir storage capacity between flood control and other uses, and 3) the existence of built-up areas on downstream river reaches. A framework for evaluation/optimization of reservoir operation rules for flood management in a changing environment is presented in this study. The study was carried out using an integrated hydrologic – hydraulic model in a Monte Carlo framework.

Modelos de elementos finitos explícitos para explosiones en estructuras reticuladas de hormigón armado : aplicaciones al estudio del colapso de edificios

La frecuencia con la que se producen explosiones sobre edificios, ya sean accidentales o intencionadas, es reducida, pero sus efectos pueden ser catastróficos. Es deseable poder predecir de forma suficientemente precisa las consecuencias de estas acciones dinámicas sobre edificaciones civiles, entre las cuales las estructuras reticuladas de hormigón armado son una tipología habitual. En esta tesis doctoral se exploran distintas opciones prácticas para el modelado y cálculo numérico por ordenador de estructuras de hormigón armado sometidas a explosiones. Se emplean modelos numéricos de elementos finitos con integración explícita en el tiempo, que demuestran su capacidad efectiva para simular los fenómenos físicos y estructurales de dinámica rápida y altamente no lineales que suceden, pudiendo predecir los daños ocasionados tanto por la propia explosión como por el posible colapso progresivo de la estructura. El trabajo se ha llevado a cabo empleando el código comercial de elementos finitos LS-DYNA (Hallquist, 2006), desarrollando en el mismo distintos tipos de modelos de cálculo que se pueden clasificar en dos tipos principales: 1) modelos basados en elementos finitos de continuo, en los que se discretiza directamente el medio continuo mediante grados de libertad nodales de desplazamientos; 2) modelos basados en elementos finitos estructurales, mediante vigas y láminas, que incluyen hipótesis cinemáticas para elementos lineales o superficiales. Estos modelos se desarrollan y discuten a varios niveles distintos: 1) a nivel del comportamiento de los materiales, 2) a nivel de la respuesta de elementos estructurales tales como columnas, vigas o losas, y 3) a nivel de la respuesta de edificios completos o de partes significativas de los mismos. Se desarrollan modelos de elementos finitos de continuo 3D muy detallados que modelizan el hormigón en masa y el acero de armado de forma segregada. El hormigón se representa con un modelo constitutivo del hormigón CSCM (Murray et al., 2007), que tiene un comportamiento inelástico, con diferente respuesta a tracción y compresión, endurecimiento, daño por fisuración y compresión, y rotura. El acero se representa con un modelo constitutivo elastoplástico bilineal con rotura. Se modeliza la geometría precisa del hormigón mediante elementos finitos de continuo 3D y cada una de las barras de armado mediante elementos finitos tipo viga, con su posición exacta dentro de la masa de hormigón. La malla del modelo se construye mediante la superposición de los elementos de continuo de hormigón y los elementos tipo viga de las armaduras segregadas, que son obligadas a seguir la deformación del sólido en cada punto mediante un algoritmo de penalización, simulando así el comportamiento del hormigón armado. En este trabajo se denominarán a estos modelos simplificadamente como modelos de EF de continuo. Con estos modelos de EF de continuo se analiza la respuesta estructural de elementos constructivos (columnas, losas y pórticos) frente a acciones explosivas. Asimismo se han comparado con resultados experimentales, de ensayos sobre vigas y losas con distintas cargas de explosivo, verificándose una coincidencia aceptable y permitiendo una calibración de los parámetros de cálculo. Sin embargo estos modelos tan detallados no son recomendables para analizar edificios completos, ya que el elevado número de elementos finitos que serían necesarios eleva su coste computacional hasta hacerlos inviables para los recursos de cálculo actuales. Adicionalmente, se desarrollan modelos de elementos finitos estructurales (vigas y láminas) que, con un coste computacional reducido, son capaces de reproducir el comportamiento global de la estructura con una precisión similar. Se modelizan igualmente el hormigón en masa y el acero de armado de forma segregada. El hormigón se representa con el modelo constitutivo del hormigón EC2 (Hallquist et al., 2013), que también presenta un comportamiento inelástico, con diferente respuesta a tracción y compresión, endurecimiento, daño por fisuración y compresión, y rotura, y se usa en elementos finitos tipo lámina. El acero se representa de nuevo con un modelo constitutivo elastoplástico bilineal con rotura, usando elementos finitos tipo viga. Se modeliza una geometría equivalente del hormigón y del armado, y se tiene en cuenta la posición relativa del acero dentro de la masa de hormigón. Las mallas de ambos se unen mediante nodos comunes, produciendo una respuesta conjunta. En este trabajo se denominarán a estos modelos simplificadamente como modelos de EF estructurales. Con estos modelos de EF estructurales se simulan los mismos elementos constructivos que con los modelos de EF de continuo, y comparando sus respuestas estructurales frente a explosión se realiza la calibración de los primeros, de forma que se obtiene un comportamiento estructural similar con un coste computacional reducido. Se comprueba que estos mismos modelos, tanto los modelos de EF de continuo como los modelos de EF estructurales, son precisos también para el análisis del fenómeno de colapso progresivo en una estructura, y que se pueden utilizar para el estudio simultáneo de los daños de una explosión y el posterior colapso. Para ello se incluyen formulaciones que permiten considerar las fuerzas debidas al peso propio, sobrecargas y los contactos de unas partes de la estructura sobre otras. Se validan ambos modelos con un ensayo a escala real en el que un módulo con seis columnas y dos plantas colapsa al eliminar una de sus columnas. El coste computacional del modelo de EF de continuo para la simulación de este ensayo es mucho mayor que el del modelo de EF estructurales, lo cual hace inviable su aplicación en edificios completos, mientras que el modelo de EF estructurales presenta una respuesta global suficientemente precisa con un coste asumible. Por último se utilizan los modelos de EF estructurales para analizar explosiones sobre edificios de varias plantas, y se simulan dos escenarios con cargas explosivas para un edificio completo, con un coste computacional moderado. The frequency of explosions on buildings whether they are intended or accidental is small, but they can have catastrophic effects. Being able to predict in a accurate enough manner the consequences of these dynamic actions on civil buildings, among which frame-type reinforced concrete buildings are a frequent typology is desirable. In this doctoral thesis different practical options for the modeling and computer assisted numerical calculation of reinforced concrete structures submitted to explosions are explored. Numerical finite elements models with explicit time-based integration are employed, demonstrating their effective capacity in the simulation of the occurring fast dynamic and highly nonlinear physical and structural phenomena, allowing to predict the damage caused by the explosion itself as well as by the possible progressive collapse of the structure. The work has been carried out with the commercial finite elements code LS-DYNA (Hallquist, 2006), developing several types of calculation model classified in two main types: 1) Models based in continuum finite elements in which the continuous medium is discretized directly by means of nodal displacement degrees of freedom; 2) Models based on structural finite elements, with beams and shells, including kinematic hypothesis for linear and superficial elements. These models are developed and discussed at different levels: 1) material behaviour, 2) response of structural elements such as columns, beams and slabs, and 3) response of complete buildings or significative parts of them. Very detailed 3D continuum finite element models are developed, modeling mass concrete and reinforcement steel in a segregated manner. Concrete is represented with a constitutive concrete model CSCM (Murray et al., 2007), that has an inelastic behaviour, with different tension and compression response, hardening, cracking and compression damage and failure. The steel is represented with an elastic-plastic bilinear model with failure. The actual geometry of the concrete is modeled with 3D continuum finite elements and every and each of the reinforcing bars with beam-type finite elements, with their exact position in the concrete mass. The mesh of the model is generated by the superposition of the concrete continuum elements and the beam-type elements of the segregated reinforcement, which are made to follow the deformation of the solid in each point by means of a penalty algorithm, reproducing the behaviour of reinforced concrete. In this work these models will be called continuum FE models as a simplification. With these continuum FE models the response of construction elements (columns, slabs and frames) under explosive actions are analysed. They have also been compared with experimental results of tests on beams and slabs with various explosive charges, verifying an acceptable coincidence and allowing a calibration of the calculation parameters. These detailed models are however not advised for the analysis of complete buildings, as the high number of finite elements necessary raises its computational cost, making them unreliable for the current calculation resources. In addition to that, structural finite elements (beams and shells) models are developed, which, while having a reduced computational cost, are able to reproduce the global behaviour of the structure with a similar accuracy. Mass concrete and reinforcing steel are also modeled segregated. Concrete is represented with the concrete constitutive model EC2 (Hallquist et al., 2013), which also presents an inelastic behaviour, with a different tension and compression response, hardening, compression and cracking damage and failure, and is used in shell-type finite elements. Steel is represented once again with an elastic-plastic bilineal with failure constitutive model, using beam-type finite elements. An equivalent geometry of the concrete and the steel is modeled, considering the relative position of the steel inside the concrete mass. The meshes of both sets of elements are bound with common nodes, therefore producing a joint response. These models will be called structural FE models as a simplification. With these structural FE models the same construction elements as with the continuum FE models are simulated, and by comparing their response under explosive actions a calibration of the former is carried out, resulting in a similar response with a reduced computational cost. It is verified that both the continuum FE models and the structural FE models are also accurate for the analysis of the phenomenon of progressive collapse of a structure, and that they can be employed for the simultaneous study of an explosion damage and the resulting collapse. Both models are validated with an experimental full-scale test in which a six column, two floors module collapses after the removal of one of its columns. The computational cost of the continuum FE model for the simulation of this test is a lot higher than that of the structural FE model, making it non-viable for its application to full buildings, while the structural FE model presents a global response accurate enough with an admissible cost. Finally, structural FE models are used to analyze explosions on several story buildings, and two scenarios are simulated with explosive charges for a full building, with a moderate computational cost.

Especificaciones eMathTeacher, creación del Modelo Granular Lingüístico de la evaluación del aprendizaje humano, y diseño de sistemas que implementan estos conceptos

El concepto de algoritmo es básico en informática, por lo que es crucial que los alumnos profundicen en él desde el inicio de su formación. Por tanto, contar con una herramienta que guíe a los estudiantes en su aprendizaje puede suponer una gran ayuda en su formación. La mayoría de los autores coinciden en que, para determinar la eficacia de una herramienta de visualización de algoritmos, es esencial cómo se utiliza. Así, los estudiantes que participan activamente en la visualización superan claramente a los que la contemplan de forma pasiva. Por ello, pensamos que uno de los mejores ejercicios para un alumno consiste en simular la ejecución del algoritmo que desea aprender mediante el uso de una herramienta de visualización, i. e. consiste en realizar una simulación visual de dicho algoritmo. La primera parte de esta tesis presenta los resultados de una profunda investigación sobre las características que debe reunir una herramienta de ayuda al aprendizaje de algoritmos y conceptos matemáticos para optimizar su efectividad: el conjunto de especificaciones eMathTeacher, además de un entorno de aprendizaje que integra herramientas que las cumplen: GRAPHs. Hemos estudiado cuáles son las cualidades esenciales para potenciar la eficacia de un sistema e-learning de este tipo. Esto nos ha llevado a la definición del concepto eMathTeacher, que se ha materializado en el conjunto de especificaciones eMathTeacher. Una herramienta e-learning cumple las especificaciones eMathTeacher si actúa como un profesor virtual de matemáticas, i. e. si es una herramienta de autoevaluación que ayuda a los alumnos a aprender de forma activa y autónoma conceptos o algoritmos matemáticos, corrigiendo sus errores y proporcionando pistas para encontrar la respuesta correcta, pero sin dársela explícitamente. En estas herramientas, la simulación del algoritmo no continúa hasta que el usuario introduce la respuesta correcta. Para poder reunir en un único entorno una colección de herramientas que cumplan las especificaciones eMathTeacher hemos creado GRAPHs, un entorno ampliable, basado en simulación visual, diseñado para el aprendizaje activo e independiente de los algoritmos de grafos y creado para que en él se integren simuladores de diferentes algoritmos. Además de las opciones de creación y edición del grafo y la visualización de los cambios producidos en él durante la simulación, el entorno incluye corrección paso a paso, animación del pseudocódigo del algoritmo, preguntas emergentes, manejo de las estructuras de datos del algoritmo y creación de un log de interacción en XML. Otro problema que nos planteamos en este trabajo, por su importancia en el proceso de aprendizaje, es el de la evaluación formativa. El uso de ciertos entornos e-learning genera gran cantidad de datos que deben ser interpretados para llegar a una evaluación que no se limite a un recuento de errores. Esto incluye el establecimiento de relaciones entre los datos disponibles y la generación de descripciones lingüísticas que informen al alumno sobre la evolución de su aprendizaje. Hasta ahora sólo un experto humano era capaz de hacer este tipo de evaluación. Nuestro objetivo ha sido crear un modelo computacional que simule el razonamiento del profesor y genere un informe sobre la evolución del aprendizaje que especifique el nivel de logro de cada uno de los objetivos definidos por el profesor. Como resultado del trabajo realizado, la segunda parte de esta tesis presenta el modelo granular lingüístico de la evaluación del aprendizaje, capaz de modelizar la evaluación y generar automáticamente informes de evaluación formativa. Este modelo es una particularización del modelo granular lingüístico de un fenómeno (GLMP), en cuyo desarrollo y formalización colaboramos, basado en la lógica borrosa y en la teoría computacional de las percepciones. Esta técnica, que utiliza sistemas de inferencia basados en reglas lingüísticas y es capaz de implementar criterios de evaluación complejos, se ha aplicado a dos casos: la evaluación, basada en criterios, de logs de interacción generados por GRAPHs y de cuestionarios de Moodle. Como consecuencia, se han implementado, probado y utilizado en el aula sistemas expertos que evalúan ambos tipos de ejercicios. Además de la calificación numérica, los sistemas generan informes de evaluación, en lenguaje natural, sobre los niveles de competencia alcanzados, usando sólo datos objetivos de respuestas correctas e incorrectas. Además, se han desarrollado dos aplicaciones capaces de ser configuradas para implementar los sistemas expertos mencionados. Una procesa los archivos producidos por GRAPHs y la otra, integrable en Moodle, evalúa basándose en los resultados de los cuestionarios. ABSTRACT The concept of algorithm is one of the core subjects in computer science. It is extremely important, then, for students to get a good grasp of this concept from the very start of their training. In this respect, having a tool that helps and shepherds students through the process of learning this concept can make a huge difference to their instruction. Much has been written about how helpful algorithm visualization tools can be. Most authors agree that the most important part of the learning process is how students use the visualization tool. Learners who are actively involved in visualization consistently outperform other learners who view the algorithms passively. Therefore we think that one of the best exercises to learn an algorithm is for the user to simulate the algorithm execution while using a visualization tool, thus performing a visual algorithm simulation. The first part of this thesis presents the eMathTeacher set of requirements together with an eMathTeacher-compliant tool called GRAPHs. For some years, we have been developing a theory about what the key features of an effective e-learning system for teaching mathematical concepts and algorithms are. This led to the definition of eMathTeacher concept, which has materialized in the eMathTeacher set of requirements. An e-learning tool is eMathTeacher compliant if it works as a virtual math trainer. In other words, it has to be an on-line self-assessment tool that helps students to actively and autonomously learn math concepts or algorithms, correcting their mistakes and providing them with clues to find the right answer. In an eMathTeacher-compliant tool, algorithm simulation does not continue until the user enters the correct answer. GRAPHs is an extendible environment designed for active and independent visual simulation-based learning of graph algorithms, set up to integrate tools to help the user simulate the execution of different algorithms. Apart from the options of creating and editing the graph, and visualizing the changes made to the graph during simulation, the environment also includes step-by-step correction, algorithm pseudo-code animation, pop-up questions, data structure handling and XML-based interaction log creation features. On the other hand, assessment is a key part of any learning process. Through the use of e-learning environments huge amounts of data can be output about this process. Nevertheless, this information has to be interpreted and represented in a practical way to arrive at a sound assessment that is not confined to merely counting mistakes. This includes establishing relationships between the available data and also providing instructive linguistic descriptions about learning evolution. Additionally, formative assessment should specify the level of attainment of the learning goals defined by the instructor. Till now, only human experts were capable of making such assessments. While facing this problem, our goal has been to create a computational model that simulates the instructor’s reasoning and generates an enlightening learning evolution report in natural language. The second part of this thesis presents the granular linguistic model of learning assessment to model the assessment of the learning process and implement the automated generation of a formative assessment report. The model is a particularization of the granular linguistic model of a phenomenon (GLMP) paradigm, based on fuzzy logic and the computational theory of perceptions, to the assessment phenomenon. This technique, useful for implementing complex assessment criteria using inference systems based on linguistic rules, has been applied to two particular cases: the assessment of the interaction logs generated by GRAPHs and the criterion-based assessment of Moodle quizzes. As a consequence, several expert systems to assess different algorithm simulations and Moodle quizzes have been implemented, tested and used in the classroom. Apart from the grade, the designed expert systems also generate natural language progress reports on the achieved proficiency level, based exclusively on the objective data gathered from correct and incorrect responses. In addition, two applications, capable of being configured to implement the expert systems, have been developed. One is geared up to process the files output by GRAPHs and the other one is a Moodle plug-in set up to perform the assessment based on the quizzes results.

Building intuition of iron evolution during solar cell processing through analysis of different process models

An important aspect of Process Simulators for photovoltaics is prediction of defect evolution during device fabrication. Over the last twenty years, these tools have accelerated process optimization, and several Process Simulators for iron, a ubiquitous and deleterious impurity in silicon, have been developed. The diversity of these tools can make it difficult to build intuition about the physics governing iron behavior during processing. Thus, in one unified software environment and using self-consistent terminology, we combine and describe three of these Simulators. We vary structural defect distribution and iron precipitation equations to create eight distinct Models, which we then use to simulate different stages of processing. We find that the structural defect distribution influences the final interstitial iron concentration ([Fe-i]) more strongly than the iron precipitation equations. We identify two regimes of iron behavior: (1) diffusivity-limited, in which iron evolution is kinetically limited and bulk [Fe-i] predictions can vary by an order of magnitude or more, and (2) solubility-limited, in which iron evolution is near thermodynamic equilibrium and the Models yield similar results. This rigorous analysis provides new intuition that can inform Process Simulation, material, and process development, and it enables scientists and engineers to choose an appropriate level of Model complexity based on wafer type and quality, processing conditions, and available computation time.

Additional evidence for an eight-transmembrane-domain topology for Caenorhabditis elegans and human presenilins

Presenilins have been implicated in the genesis of Alzheimer’s disease and in facilitating LIN-12/Notch activity during development. All presenilins have multiple hydrophobic regions that could theoretically span a membrane, and a description of the membrane topology is a crucial step toward deducing the mechanism of presenilin function. Previously, we proposed an eight-transmembrane-domain model for presenilin, based on studies of the Caenorhabditis elegans SEL-12 presenilin. Here, we describe experiments that support the view that two of the hydrophobic regions of SEL-12 function as the seventh and eighth transmembrane domains. Furthermore, we have shown that human presenilin 1 behaves like SEL-12 presenilin when analyzed by our methods. Our results provide additional experimental support for the eight-transmembrane-domain model of presenilin topology.

A mouse model for X-linked adrenoleukodystrophy

X-linked adrenoleukodystrophy (X-ALD) is a peroxisomal disorder with impaired β-oxidation of very long chain fatty acids (VLCFAs) and reduced function of peroxisomal very long chain fatty acyl-CoA synthetase (VLCS) that leads to severe and progressive neurological disability. The X-ALD gene, identified by positional cloning, encodes a peroxisomal membrane protein (adrenoleukodystrophy protein; ALDP) that belongs to the ATP binding cassette transporter protein superfamily. Mutational analyses and functional studies of the X-ALD gene confirm that it and not VLCS is the gene responsible for X-ALD. Its role in the β-oxidation of VLCFAs and its effect on the function of VLCS are unclear. The complex pathology of X-ALD and the extreme variability of its clinical phenotypes are also unexplained. To facilitate understanding of X-ALD pathophysiology, we developed an X-ALD mouse model by gene targeting. The X-ALD mouse exhibits reduced β-oxidation of VLCFAs, resulting in significantly elevated levels of saturated VLCFAs in total lipids from all tissues measured and in cholesterol esters from adrenal glands. Lipid cleft inclusions were observed in adrenocortical cells of X-ALD mice under the electron microscope. No neurological involvement has been detected in X-ALD mice up to 6 months. We conclude that X-ALD mice exhibit biochemical defects equivalent to those found in human X-ALD and thus provide an experimental system for testing therapeutic intervention.

Use of model plant hosts to identify Pseudomonas aeruginosa virulence factors

We used plants as an in vivo pathogenesis model for the identification of virulence factors of the human opportunistic pathogen Pseudomonas aeruginosa. Nine of nine TnphoA mutant derivatives of P. aeruginosa strain UCBPP-PA14 that were identified in a plant leaf assay for less pathogenic mutants also exhibited significantly reduced pathogenicity in a burned mouse pathogenicity model, suggesting that P. aeruginosa utilizes common strategies to infect both hosts. Seven of these nine mutants contain TnphoA insertions in previously unknown genes. These results demonstrate that an alternative nonvertebrate host of a human bacterial pathogen can be used in an in vivo high throughput screen to identify novel bacterial virulence factors involved in mammalian pathogenesis.

An important 2′-OH group for an RNA–protein interaction

We have investigated the role of 2′-OH groups in the specific interaction between the acceptor stem of Escherichia coli tRNACys and cysteine-tRNA synthetase. This interaction provides for the high aminoacylation specificity observed for cysteine-tRNA synthetase. A synthetic RNA microhelix that recapitulates the sequence of the acceptor stem was used as a substrate and variants containing systematic replacement of the 2′-OH by 2′-deoxy or 2′-O-methyl groups were tested. Except for position U73, all substitutions had little effect on aminoacylation. Interestingly, the deoxy substitution at position U73 had no effect on aminoacylation, but the 2′-O-methyl substitution decreased aminoacylation by 10-fold and addition of the even bulkier 2′-O-propyl group decreased aminoacylation by another 2-fold. The lack of an effect by the deoxy substitution suggests that the hydrogen bonding potential of the 2′-OH at position U73 is unimportant for aminoacylation. The decrease in activity upon alkyl substitution suggests that the 2′-OH group instead provides a monitor of the steric environment during the RNA–synthetase interaction. The steric role was confirmed in the context of a reconstituted tRNA and is consistent with the observation that the U73 base is the single most important determinant for aminoacylation and therefore is a site that is likely to be in close contact with cysteine-tRNA synthetase. A steric role is supported by an NMR-based structural model of the acceptor stem, together with biochemical studies of a closely related microhelix. This role suggests that the U73 binding site for cysteine-tRNA synthetase is sterically optimized to accommodate a 2′-OH group in the backbone, but that the hydroxyl group itself is not involved in specific hydrogen bonding interactions.

Kinetics of self-assembling microtubules: an "inverse problem" in biochemistry.

Experimental time series for a nonequilibrium reaction may in some cases contain sufficient data to determine a unique kinetic model for the reaction by a systematic mathematical analysis. As an example, a kinetic model for the self-assembly of microtubules is derived here from turbidity time series for solutions in which microtubules assemble. The model may be seen as a generalization of Oosawa's classical nucleation-polymerization model. It reproduces the experimental data with a four-stage nucleation process and a critical nucleus of 15 monomers.

Gerenciamento de resíduos sólidos municipais e os sistemas complexos: a busca da sustentabilidade e a proposta de cobrança da coleta em Santo André-SP

O gerenciamento de resíduos sólidos municipais não vem contemplando adequadamente a multidimensionalidade da realidade urbana num mundo globalizado e pouco tem auxiliado na necessária transformação dos padrões de consumo nas comunidades locais. Face a incerteza inerente dos sistemas sociais, a complexidade vem sendo, progressivamente, reconhecida como a expressão paradigmática dessa realidade. Neste trabalho, desenvolve-se o conceito de sistema de resíduos sólidos sob a perspectiva de um sistema complexo, assim como caracteriza-se a dinâmica das suas interações. A partir dessa concepção teórica, discute-se a busca da sustentabilidade por meio do gerenciamento de resíduos e as formas de complexificar a sua metodologia de atuação, na qual a cobrança da coleta de resíduos domiciliares é identificada como um importante instrumento neste processo. Propõe-se um modelo de cobrança desses serviços cuja viabilidade é verificada na simulação feita para o município de Santo André-SP. Levanta-se, ainda, dados sobre as formas de cobrança existentes em diversos municípios e a situação dos serviços de limpeza urbana no Brasil. Conclui-se que o gerenciamento de resíduos sólidos deve ser executado no âmbito de uma política pública local para o setor e que o modelo de cobrança proposto tem maior aplicabilidade em cidades de médio a grande porte.