Monte Carlo simulation of recrystallization

A Monte Carlo computer simulation technique, in which a continuum system is modeled employing a discrete lattice, has been applied to the problem of recrystallization. Primary recrystallization is modeled under conditions where the degree of stored energy is varied and nucleation occurs homogeneously (without regard for position in the microstructure). The nucleation rate is chosen as site saturated. Temporal evolution of the simulated microstructures is analyzed to provide the time dependence of the recrystallized volume fraction and grain sizes. The recrystallized volume fraction shows sigmoidal variations with time. The data are approximately fit by the Johnson-Mehl-Avrami equation with the expected exponents, however significant deviations are observed for both small and large recrystallized volume fractions. Under constant rate nucleation conditions, the propensity for irregular grain shapes is decreased and the density of two sided grains increases.

Crack mechanical failure in lithium niobate crystal under ion irradiation; novel simulation by extended finite elements

Swift heavy ion irradiation (ions with mass heavier than 15 and energy exceeding MeV/amu) transfer their energy mainly to the electronic system with small momentum transfer per collision. Therefore, they produce linear regions (columnar nano-tracks) around the straight ion trajectory, with marked modifications with respect to the virgin material, e.g., phase transition, amorphization, compaction, changes in physical or chemical properties. In the case of crystalline materials the most distinctive feature of swift heavy ion irradiation is the production of amorphous tracks embedded in the crystal. Lithium niobate is a relevant optical material that presents birefringence due to its anysotropic trigonal structure. The amorphous phase is certainly isotropic. In addition, its refractive index exhibits high contrast with those of the crystalline phase. This allows one to fabricate waveguides by swift ion irradiation with important technological relevance. From the mechanical point of view, the inclusion of an amorphous nano-track (with a density 15% lower than that of the crystal) leads to the generation of important stress/strain fields around the track. Eventually these fields are the origin of crack formation with fatal consequences for the integrity of the samples and the viability of the method for nano-track formation. For certain crystal cuts (X and Y), these fields are clearly anisotropic due to the crystal anisotropy. We have used finite element methods to calculate the stress/strain fields that appear around the ion-generated amorphous nano-tracks for a variety of ion energies and doses. A very remarkable feature for X cut-samples is that the maximum shear stress appears on preferential planes that form +/-45º with respect to the crystallographic planes. This leads to the generation of oriented surface cracks when the dose increases. The growth of the cracks along the anisotropic crystal has been studied by means of novel extended finite element methods, which include cracks as discontinuities. In this way we can study how the length and depth of a crack evolves as function of the ion dose. In this work we will show how the simulations compare with experiments and their application in materials modification by ion irradiation.

Unidad didáctica sobre el uso del programa Virtual.Lab para simulaciones acústicas. Parte I

El presente Proyecto de Fin de Carrera supone el propósito conjunto de los alumnos Álvaro Morillas y Fernando Sáez, y del profesor Vladimir Ulin, de desarrollar una unidad didáctica sobre el programa de simulación para ingeniería Virtual.Lab. La versión sobre la que se ha trabajado para realizar este texto es la 11, publicada en agosto de 2012. Virtual.Lab, del fabricante belga LMS International, es una plataforma software de ingeniería asistida por ordenador, que agrupa en una misma aplicación varias herramientas complementarias en el diseño de un producto, desde su definición geométrica a los análisis de durabilidad, ruido u optimización. No obstante, de entre todas las posibles simulaciones que nos permite el programa, en este proyecto sólo se tratan las que están relacionadas con la acústica. Cabe resaltar que gran parte de los conceptos manejados en Virtual.Lab son compatibles con el programa CATIA V5, ya que ambos programas vienen instalados y funcionan conjuntamente. Por eso, el lector de este proyecto podrá transportar sus conocimientos al que es uno de los programas estándar en las industrias aeronáutica, naval y automovilística, entre otras. Antes de este proyecto, otros alumnos de la escuela también realizaron proyectos de fin de carrera en el campo de la simulación computarizada en acústica. Una característica común a estos trabajos es que era necesario hacer uso de distintos programas para cada una de las etapas de simulación (como por ejemplo, ANSYS para el modelado y estudio de la vibración y SYSNOISE para las simulaciones acústicas, además de otros programas auxiliares para las traducciones de formato). Con Virtual.Lab desaparece esta necesidad y el tiempo empleado se reduce. Debido a que las soluciones por ordenador están ganando cada vez más importancia en la industria actual, los responsables de este proyecto consideran la necesidad de formación de profesionales en esta rama. Para responder a la demanda empresarial de trabajadores cualificados, se espera que en los próximos años los planes de estudio contengan más cursos en esta materia. Por tanto la intención de los autores es que este material sea de utilidad para el aprendizaje y docencia de estas asignaturas en cursos sucesivos. Por todo esto, se justifica la relevancia de este PFC como manual para introducir a los alumnos interesados en iniciarse en un sistema actual, de uso extendido en otras universidades tecnológicas europeas, y con buenas perspectivas de futuro. En este proyecto se incluyen varios ejemplos ejecutables desde el programa, así como vídeos explicativos que ayudan a mostrar gráficamente los procesos de simulación. Estos archivos se pueden encontrar en el CD adjunto. Abstract This final thesis is a joint project made by the students Álvaro Morillas and Fernando Sáez, and the professor Vladimir Ulin. The nature of the joint regards the writing of a didactic unit on Virtual.Lab, the simulation software. The software version used in this text is the number 11, released in August 2012. Virtual.Lab, from the Belgian developer LMS International, is a computer-aided engineering software which is used for several related tasks in this field: product design, durability simulation, optimization, etc. However, this project is focused on the acoustical capabilities. It is worthy to highlight that most procedures explained in this text can be used in the software CATIA V5 as well. Both tools come installed together and may be used at the same time. Therefore, the reader of this project will be able to use the acquired knowledge in one of the most relevant softwares for the aerospace, marine and automotive engineering. Previously to the development of this project, this School has conducted projects on this field. These projects regarded the use of ANSYS for modeling and meshing stages as well as the use of SYSNOISE for the final acoustic analysis. Since both systems use different file formats, a third-party translation software was required. This thesis fulfill this pending necessity with Virtual.Lab; the translation software procedure is not necessary anymore and simulations can be done in a more flexible, fast way. Since companies have an increasing usage of numerical methods in the development of their products and services, the authors think that it is important to develop the appropriate method to instruct new professionals in the field. Thus, the aim of this project is to help teachers and students in their process of learning the use of this leading software in acoustical simulations. For all the reasons mentioned above, we consider that this project is relevant for the School and the educational community. Aiming to achieve this objective the author offers example files and video demonstrations with guidance in the CD that accompanies this material. This facilitates the comprehension of the practical tasks and guides the prospect users of the software.

Analysis and Modelling of the Structural Components of the Elbow Joint

A recent application of computer simulation is its use for the human body, which resembles a mechanism that is complemented by torques in the joints that are caused by the action of muscles and tendons. Among others, the application can be used to provide training in surgical procedures or to learn how the body works. Some of the other applications are to make a biped walk upright, to build robots that are designed on the human body or to make prostheses or robot arms to perform specific tasks. One of the uses of simulation is to optimise the movement of the human body by examining which muscles are activated and which should or should not be activated in order to improve a person?s movements. This work presents a model of the elbow joint, and by analysing the constraint equations using classic methods we go on to model the bones, muscles and tendons as well as the logic linked to the force developed by them when faced with a specific movement. To do this, we analyse the reference bibliography and the software available to perform the validation.

Enhancing iDynoMiCS framework with a plasmid conjugation module

Actualmente existen aplicaciones que permiten simular el comportamiento de bacterias en distintos hábitats y los procesos que ocurren en estos para facilitar su estudio y experimentación sin la necesidad de un laboratorio. Una de las aplicaciones de software libre para la simulación de poblaciones bacteriológicas mas usada es iDynoMiCS (individual-based Dynamics of Microbial Communities Simulator), un simulador basado en agentes que permite trabajar con varios modelos computacionales de bacterias en 2D y 3D. Este simulador permite una gran libertad al configurar una numerosa cantidad de variables con respecto al entorno, reacciones químicas y otros detalles importantes. Una característica importante es el poder simular de manera sencilla la conjugación de plásmidos entre bacterias. Los plásmidos son moléculas de ADN diferentes del cromosoma celular, generalmente circularles, que se replican, transcriben y conjugan independientemente del ADN cromosómico. Estas están presentes normalmente en bacterias procariotas, y en algunas ocasiones en eucariotas, sin embargo, en este tipo de células son llamados episomas. Dado el complejo comportamiento de los plásmidos y la gama de posibilidades que estos presentan como mecanismos externos al funcionamiento básico de la célula, en la mayoría de los casos confiriéndole distintas ventajas evolutivas, como por ejemplo: resistencia antibiótica, entre otros, resulta importante su estudio y subsecuente manipulación. Sin embargo, el marco operativo del iDynoMiCS, en cuanto a simulación de plásmidos se refiere, es demasiado sencillo y no permite realizar operaciones más complejas que el análisis de la propagación de un plásmido en la comunidad. El presente trabajo surge para resolver esta deficiencia de iDynomics. Aquí se analizarán, desarrollarán e implementarán las modificaciones necesarias para que iDynomics pueda simular satisfactoriamente y mas apegado a la realidad la conjugación de plásmidos y permita así mismo resolver distintas operaciones lógicas, como lo son los circuitos genéticos, basadas en plásmidos. También se analizarán los resultados obtenidos de acuerdo a distintos estudios relevantes y a la comparación de los resultados obtenidos con el código original de iDynomics. Adicionalmente se analizará un estudio comparando la eficiencia de detección de una sustancia mediante dos circuitos genéticos distintos. Asimismo el presente trabajo puede tener interés para el grupo LIA de la Facultad de Informática de la Universidad Politécnica de Madrid, el cual está participando en el proyecto europeo BACTOCOM que se centra en el estudio de la conjugación de plásmidos y circuitos genéticos. --ABSTRACT--Currently there are applications that simulate the behavior of bacteria in different habitats and the ongoing processes inside them to facilitate their study and experimentation without the need for an actual laboratory. One of the most used open source applications to simulate bacterial populations is iDynoMiCS (individual-based Dynamics of Microbial Communities Simulator), an agent-based simulator that allows working with several computer models of 2D and 3D bacteria in biofilms. This simulator allows great freedom by means of a large number of configurable variables regarding environment, chemical reactions and other important details of the simulation. Within these characteristics there exists a very basic framework to simulate plasmid conjugation. Plasmids are DNA molecules physically different from the cell’s chromosome, commonly found as small circular, double-stranded DNA molecules that are replicated, conjugated and transcribed independently of chromosomal DNA. These bacteria are normally present in prokaryotes and sometimes in eukaryotes, which in this case these cells are called episomes. Plasmids are external mechanisms to the cells basic operations, and as such, in the majority of the cases, confer to the host cell various evolutionary advantages, like antibiotic resistance for example. It is mperative to further study plasmids and the possibilities they present. However, the operational framework of the iDynoMiCS plasmid simulation is too simple, and does not allow more complex operations that the analysis of the spread of a plasmid in the community. This project was conceived to resolve this particular deficiency in iDynomics, moreover, in this paper is discussed, developed and implemented the necessary changes to iDynomics simulation software so it can satisfactorily and realistically simulate plasmid conjugation, and allow the possibility to solve various ogic operations, such as plasmid-based genetic circuits. Moreover the results obtained will be analyzed and compared with other relevant studies and with those obtained with the original iDynomics code. Conjointly, an additional study detailing the sensing of a substance with two different genetic circuits will be presented. This work may also be relevant to the LIA group of the Faculty of Informatics of the Polytechnic University of Madrid, which is participating in the European project BACTOCOM that focuses on the study of the of plasmid conjugation and genetic circuits.

Unidad de efectos de audio en Simulink

La tecnología moderna de computación ha permitido cambiar radicalmente la investigación tecnológica en todos los ámbitos. El proceso general utilizado previamente consistía en el desarrollo de prototipos analógicos, creando múltiples versiones del mismo hasta llegar al resultado adecuado. Este es un proceso costoso a nivel económico y de carga de trabajo. Es por ello por lo que el proceso de investigación actual aprovecha las nuevas tecnologías para lograr el objetivo final mediante la simulación. Gracias al desarrollo de software para la simulación de distintas áreas se ha incrementado el ritmo de crecimiento de los avances tecnológicos y reducido el coste de los proyectos en investigación y desarrollo. La simulación, por tanto, permite desarrollar previamente prototipos simulados con un coste mucho menor para así lograr un producto final, el cual será llevado a cabo en su ámbito correspondiente. Este proceso no sólo se aplica en el caso de productos con circuitería, si bien es utilizado también en productos programados. Muchos de los programas actuales trabajan con algoritmos concretos cuyo funcionamiento debe ser comprobado previamente, para después centrarse en la codificación del mismo. Es en este punto donde se encuentra el objetivo de este proyecto, simular algoritmos de procesado digital de la señal antes de la codificación del programa final. Los sistemas de audio están basados en su totalidad en algoritmos de procesado de la señal, tanto analógicos como digitales, siendo estos últimos los que están sustituyendo al mundo analógico mediante los procesadores y los ordenadores. Estos algoritmos son la parte más compleja del sistema, y es la creación de nuevos algoritmos la base para lograr sistemas de audio novedosos y funcionales. Se debe destacar que los grupos de desarrollo de sistemas de audio presentan un amplio número de miembros con cometidos diferentes, separando las funciones de programadores e ingenieros de la señal de audio. Es por ello por lo que la simulación de estos algoritmos es fundamental a la hora de desarrollar nuevos y más potentes sistemas de audio. Matlab es una de las herramientas fundamentales para la simulación por ordenador, la cual presenta utilidades para desarrollar proyectos en distintos ámbitos. Sin embargo, en creciente uso actualmente se encuentra el software Simulink, herramienta especializada en la simulación de alto nivel que simplifica la dificultad de la programación en Matlab y permite desarrollar modelos de forma más rápida. Simulink presenta una completa funcionalidad para el desarrollo de algoritmos de procesado digital de audio. Por ello, el objetivo de este proyecto es el estudio de las capacidades de Simulink para generar sistemas de audio funcionales. A su vez, este proyecto pretende profundizar en los métodos de procesado digital de la señal de audio, logrando al final un paquete de sistemas de audio compatible con los programas de edición de audio actuales. ABSTRACT. Modern computer technology has dramatically changed the technological research in multiple areas. The overall process previously used consisted of the development of analog prototypes, creating multiple versions to reach the proper result. This is an expensive process in terms of an economically level and workload. For this reason actual investigation process take advantage of the new technologies to achieve the final objective through simulation. Thanks to the software development for simulation in different areas the growth rate of technological progress has been increased and the cost of research and development projects has been decreased. Hence, simulation allows previously the development of simulated protoypes with a much lower cost to obtain a final product, which will be held in its respective field. This process is not only applied in the case of circuitry products, but is also used in programmed products. Many current programs work with specific algorithms whose performance should be tested beforehand, which allows focusing on the codification of the program. This is the main point of this project, to simulate digital signal processing algorithms before the codification of the final program. Audio systems are entirely based on signal processing, both analog and digital systems, being the digital systems which are replacing the analog world thanks to the processors and computers. This algorithms are the most complex part of every system, and the creation of new algorithms is the most important step to achieve innovative and functional new audio systems. It should be noted that development groups of audio systems have a large number of members with different roles, separating them into programmers and audio signal engineers. For this reason, the simulation of this algorithms is essential when developing new and more powerful audio systems. Matlab is one of the most important tools for computer simulation, which has utilities to develop projects in different areas. However, the use of the Simulink software is constantly growing. It is a simulation tool specialized in high-level simulations which simplifies the difficulty of programming in Matlab and allows the developing of models faster. Simulink presents a full functionality for the development of algorithms for digital audio processing. Therefore, the objective of this project is to study the posibilities of Simulink to generate funcional audio systems. In turn, this projects aims to get deeper into the methods of digital audio signal processing, making at the end a software package of audio systems compatible with the current audio editing software.

UML 1.4 versus UML 2.0 as Languages to Describe Software Architectures.

ML 1.4 is widely accepted as the standard for representing the various software artifacts generated by a development process. For this reason, there have been attempts to use this language to represent the software architec- ture of systems as well. Unfortunately, these attempts have ended in representa- tions (boxes and lines) already criticized by the software architecture commu- nity. Recently, OMG has published a draft that will constitute the future UML 2.0 specification. In this paper we compare the capacities of UML 1.4 and UML 2.0 to describe software architectures. In particular, we study extensions of both UML versions to describe the static view of the C3 architectural style (a simplification of the C2 style). One of the results of this study is the difficulties found when using the UML 2.0 metamodel to describe the concept of connector in a software architecture.

3D simulation of complex shading affecting PV systems taking benefit from the power of graphics cards developed for the video game industry

Shading reduces the power output of a photovoltaic (PV) system. The design engineering of PV systems requires modeling and evaluating shading losses. Some PV systems are affected by complex shading scenes whose resulting PV energy losses are very difficult to evaluate with current modeling tools. Several specialized PV design and simulation software include the possibility to evaluate shading losses. They generally possess a Graphical User Interface (GUI) through which the user can draw a 3D shading scene, and then evaluate its corresponding PV energy losses. The complexity of the objects that these tools can handle is relatively limited. We have created a software solution, 3DPV, which allows evaluating the energy losses induced by complex 3D scenes on PV generators. The 3D objects can be imported from specialized 3D modeling software or from a 3D object library. The shadows cast by this 3D scene on the PV generator are then directly evaluated from the Graphics Processing Unit (GPU). Thanks to the recent development of GPUs for the video game industry, the shadows can be evaluated with a very high spatial resolution that reaches well beyond the PV cell level, in very short calculation times. A PV simulation model then translates the geometrical shading into PV energy output losses. 3DPV has been implemented using WebGL, which allows it to run directly from a Web browser, without requiring any local installation from the user. This also allows taken full benefits from the information already available from Internet, such as the 3D object libraries. This contribution describes, step by step, the method that allows 3DPV to evaluate the PV energy losses caused by complex shading. We then illustrate the results of this methodology to several application cases that are encountered in the world of PV systems design. Keywords: 3D, modeling, simulation, GPU, shading, losses, shadow mapping, solar, photovoltaic, PV, WebGL

Simulation of thermal performance of glazing in architecture using scale models = Simulación del comportamiento térmico de los acristalamientos en la arquitectura mediante modelos a escala

El propósito de esta tesis es estudiar la aproximación a los fenómenos de transporte térmico en edificación acristalada a través de sus réplicas a escala. La tarea central de esta tesis es, por lo tanto, la comparación del comportamiento térmico de modelos a escala con el correspondiente comportamiento térmico del prototipo a escala real. Los datos principales de comparación entre modelo y prototipo serán las temperaturas. En el primer capítulo del Estado del Arte de esta tesis se hará un recorrido histórico por los usos de los modelos a escala desde la antigüedad hasta nuestro días. Dentro de éste, en el Estado de la Técnica, se expondrán los beneficios que tiene su empleo y las dificultades que conllevan. A continuación, en el Estado de la Investigación de los modelos a escala, se analizarán artículos científicos y tesis. Precisamente, nos centraremos en aquellos modelos a escala que son funcionales. Los modelos a escala funcionales son modelos a escala que replican, además, una o algunas de las funciones de sus prototipos. Los modelos a escala pueden estar distorsionados o no. Los modelos a escala distorsionados son aquellos con cambios intencionados en las dimensiones o en las características constructivas para la obtención de una respuesta específica por ejemplo, replicar el comportamiento térmico. Los modelos a escala sin distorsión, o no distorsionados, son aquellos que mantienen, en la medida de lo posible, las proporciones dimensionales y características constructivas de sus prototipos de referencia. Estos modelos a escala funcionales y no distorsionados son especialmente útiles para los arquitectos ya que permiten a la vez ser empleados como elementos funcionales de análisis y como elementos de toma de decisiones en el diseño constructivo. A pesar de su versatilidad, en general, se observará que se han utilizado muy poco estos modelos a escala funcionales sin distorsión para el estudio del comportamiento térmico de la edificación. Posteriormente, se expondrán las teorías para el análisis de los datos térmicos recogidos de los modelos a escala y su aplicabilidad a los correspondientes prototipos a escala real. Se explicarán los experimentos llevados a cabo, tanto en laboratorio como a intemperie. Se han realizado experimentos con modelos sencillos cúbicos a diferentes escalas y sometidos a las mismas condiciones ambientales. De estos modelos sencillos hemos dado el salto a un modelo reducido de una edificación acristalada relativamente sencilla. Los experimentos consisten en ensayos simultáneos a intemperie del prototipo a escala real y su modelo reducido del Taller de Prototipos de la Escuela Técnica Superior de Arquitectura de Madrid (ETSAM). Para el análisis de los datos experimentales hemos aplicado las teorías conocidas, tanto comparaciones directas como el empleo del análisis dimensional. Finalmente, las simulaciones nos permiten comparaciones flexibles con los datos experimentales, por ese motivo, hemos utilizado tanto programas comerciales como un algoritmo de simulación desarrollado ad hoc para esta investigación. Finalmente, exponemos la discusión y las conclusiones de esta investigación. Abstract The purpose of this thesis is to study the approximation to phenomena of heat transfer in glazed buildings through their scale replicas. The central task of this thesis is, therefore, the comparison of the thermal performance of scale models without distortion with the corresponding thermal performance of their full-scale prototypes. Indoor air temperatures of the scale model and the corresponding prototype are the data to be compared. In the first chapter on the State of the Art, it will be shown a broad vision, consisting of a historic review of uses of scale models, from antiquity to our days. In the section State of the Technique, the benefits and difficulties associated with their implementation are presented. Additionally, in the section State of the Research, current scientific papers and theses on scale models are reviewed. Specifically, we focus on functional scale models. Functional scale models are scale models that replicate, additionally, one or some of the functions of their corresponding prototypes. Scale models can be distorted or not. Scale models with distortion are considered scale models with intentional changes, on one hand, in dimensions scaled unevenly and, on the other hand, in constructive characteristics or materials, in order to get a specific performance for instance, a specific thermal performance. Consequently, scale models without distortion, or undistorted scale models scaled evenly, are those replicating, to the extent possible, without distortion, the dimensional proportions and constructive configurations of their prototypes of reference. These undistorted and functional scale models are especially useful for architects because they can be used, simultaneously, as functional elements of analysis and as decision-making elements during the design. Although they are versatile, in general, it is remarkable that these types of models are used very little for the study of the thermal performance of buildings. Subsequently, the theories related to the analysis of the experimental thermal data collected from the scale models and their applicability to the corresponding full-scale prototypes, will be explained. Thereafter, the experiments in laboratory and at outdoor conditions are detailed. Firstly, experiments carried out with simple cube models at different scales are explained. The prototype larger in size and the corresponding undistorted scale model have been subjected to same environmental conditions in every experimental test. Secondly, a step forward is taken carrying out some simultaneous experimental tests of an undistorted scale model, replica of a relatively simple lightweight and glazed building construction. This experiment consists of monitoring the undistorted scale model of the prototype workshop located in the School of Architecture (ETSAM) of the Technical University of Madrid (UPM). For the analysis of experimental data, known related theories and resources are applied, such as, direct comparisons, statistical analyses, Dimensional Analysis and last, but not least important, simulations. Simulations allow us, specifically, flexible comparisons with experimental data. Here, apart the use of the simulation software EnergyPlus, a simulation algorithm is developed ad hoc for this research. Finally, the discussion and conclusions of this research are exposed.

Estudio acústico y electroacústico para la realización de un musical en el teatro Rialto de Madrid

El propósito de este Proyecto Fin de Carrera es el estudio acústico y electroacústico de la realización del musical “Hoy no me puedo levantar” en el Teatro Rialto de Madrid en 2005. En primer lugar, se realiza una breve introducción histórica, citando sus remodelaciones y comentando la situación actual del recinto. Posteriormente, es analizado el equipo de sonido empleado en el espectáculo a partir de cada uno de los distintos controles de sonido: FOH (Front of Hause), monitores y microfonía inalámbrica. De cada uno de ellos se explican sus principales funciones y los sistemas que los conforman. También se describe la utilización de las cabinas insonorizadas. A continuación, se detallan los sistemas electroacústicos (empleados en el diseño) de la sonorización de dicho musical, que se consideran divididos en las siguientes partes: sistema principal, refuerzos y retardos, efectos y monitores. Además, se detalla el software RMS (Remote Monitoring System), que aporta información del funcionamiento de estos sistemas en tiempo real. Seguidamente, se exponen el equipo, procedimiento y resultados de la medida in situ en el Teatro, aplicando la Norma UNE-EN ISO 3382-2/2008 para obtener el tiempo de reverberación y ruido de fondo. Con el objeto de inicializar la simulación por ordenador, primero se exportan los planos originales de AutoCAD a EASE 4.4, donde se finaliza el proceso de modelar el recinto. Posteriormente, se asignan materiales, áreas de audiencia, puntos de escucha y se ubican los sistemas electroacústicos. Se afina el tiempo de reverberación obtenido en la medida in situ mediante materiales de la base de datos del propio software. También se ajustan los sistemas electroacústicos en el recinto para obtener la ecualización empleada y los niveles de presión sonora directo y total para distintas frecuencias. Una vez finalizados los pasos anteriores, se procede a realizar estudios psicoacústicos para comprobar posibles ecos y el efecto precedencia (empleando retardos electrónicos o delays). Finalmente, se realizan estudios de inteligibilidad, en los que se justifica la Claridad de Voz (C50) y Claridad Musical (C80); el Índice de inteligibilidad del habla (SII), la Pérdida de articulación de consonantes (Alcons) y el Índice de transmisión del habla (STI). Por último se expone el presupuesto del proyecto y del alquiler del equipo de sonido del musical y se exponen las conclusiones del Proyecto Final de Carrera. ABSTRACT. The purpose of this Final Degree Project is the acoustic and electro-acoustic study of the musical “Hoy No Me Puedo Levantar” at Teatro Rialto in 2005 (Madrid, Spain). First of all, a brief review of its history is made, quoting its refurbishments and discussing the current situation of this enclosure. Later, the sound equipment of the show is analyzed through every different sound controls: FOH (Front Of House), monitors and wireless microphones. There is also an explanation about their principal functions and systems, as well as a description of the soundproof cabins. Then, the electro-acoustic systems are detailed and divided in the following parts: main system, boosters and delays, effects and monitors. The RMS software (Remote Monitoring System) is described too, since it gives relevant information of the systems operations in real time. Afterwards, equipment, procedures and results of the measurements are exposed, applying the UNE-EN ISO 3382-2/2008 regulation in order to obtain the reverberation time and background noise of the theatre. With the purpose of initialize the computer simulation, original plans are exported from AutoCad to EASE 4.4., where its modeling process is ended. Materials, audience areas, hearing points and electro-acoustic locations are assigned below. At the same time, reverberation time is tuned up using database materials of the software itself. Also, electro-acoustic systems of the enclosure are adjusted to get the equalization and pressure sound levels of the different frequencies. Once previous steps are finished, psycho-acoustic studies are made to check possible echoes and the precedence effect - using electronic delays -. Finally, intelligibility studies are detailed, where the Voice and Musical Clarities are justified: The Speech Intelligibility Index, the Loss of Consonants Articulation and the Talk Transmission Index. This Final Degree Project ends describing the budget and rent of the sound equipment and the final conclusions.

Computer simulations of enzyme catalysis: Finding out what has been optimized by evolution

The origin of the catalytic power of enzymes is discussed, paying attention to evolutionary constraints. It is pointed out that enzyme catalysis reflects energy contributions that cannot be determined uniquely by current experimental approaches without augmenting the analysis by computer simulation studies. The use of energy considerations and computer simulations allows one to exclude many of the popular proposals for the way enzymes work. It appears that the standard approaches used by organic chemists to catalyze reactions in solutions are not used by enzymes. This point is illustrated by considering the desolvation hypothesis and showing that it cannot account for a large increase in kcat relative to the corresponding kcage for the reference reaction in a solvent cage. The problems associated with other frequently invoked mechanisms also are outlined. Furthermore, it is pointed out that mutation studies are inconsistent with ground state destabilization mechanisms. After considering factors that were not optimized by evolution, we review computer simulation studies that reproduced the overall catalytic effect of different enzymes. These studies pointed toward electrostatic effects as the most important catalytic contributions. The nature of this electrostatic stabilization mechanism is far from being obvious because the electrostatic interaction between the reacting system and the surrounding area is similar in enzymes and in solution. However, the difference is that enzymes have a preorganized dipolar environment that does not have to pay the reorganization energy for stabilizing the relevant transition states. Apparently, the catalytic power of enzymes is stored in their folding energy in the form of the preorganized polar environment.

Computer-modeling origin of a simple genetic apparatus

This computer simulation is based on a model of the origin of life proposed by H. Kuhn and J. Waser, where the evolution of short molecular strands is assumed to take place in a distinct spatiotemporal structured environment. In their model, the prebiotic situation is strongly simplified to grasp essential features of the evolution of the genetic apparatus without attempts to trace the historic path. With the tool of computer implementation confining to principle aspects and focused on critical features of the model, a deeper understanding of the model's premises is achieved. Each generation consists of three steps: (i) construction of devices (entities exposed to selection) presently available; (ii) selection; and (iii) multiplication of the isolated strands (R oligomers) by complementary copying with occasional variation by copying mismatch. In the beginning, the devices are single strands with random sequences; later, increasingly complex aggregates of strands form devices such as a hairpin-assembler device which develop in favorable cases. A monomers interlink by binding to the hairpin-assembler device, and a translation machinery, called the hairpin-assembler-enzyme device, emerges, which translates the sequence of R1 and R2 monomers in the assembler strand to the sequence of A1 and A2 monomers in the A oligomer, working as an enzyme.

Desenvolvimento de um modelo baseado em agentes para investigar a conformação e evolução de padrões populacionais de atividade física no lazer em adultos

Introdução: Grande parte das ações para promover a atividade física no lazer em populações tem apresentado tamanhos de efeito pequenos ou inexistentes, ou resultados inconsistentes. Abordar o problema a partir da perspectiva sistêmica pode ser uma das formas de superar esse descompasso. Objetivo: Desenvolver um modelo baseado em agentes para investigar a conformação e evolução de padrões populacionais de atividade física no lazer em adultos a partir da interação entre atributos psicológicos dos indivíduos e atributos dos ambientes físico construído e social em que vivem. Métodos: O processo de modelagem foi composto por três etapas: elaboração de um mapa conceitual, com base em revisão da literatura e consulta com especialistas; criação e verificação do algoritmo do modelo; e parametrização e análise de consistência e sensibilidade. Os resultados da revisão da literatura foram consolidados e relatados de acordo com os domínios da busca (aspectos psicológicos, ambiente social e ambiente físico construído). Os resultados quantitativos da consulta com os especialistas foram descritos por meio de frequências e o conteúdo das respostas questões abertas foi analisado e compilado pelo autor desta tese. O algoritmo do modelo foi criado no software NetLogo, versão 5.2.1., seguindo-se um protocolo de verificação para garantir que o algoritmo fosse implementado acuradamente. Nas análises de consistência e sensibilidade, utilizaram-se o Teste A de Vargha-Delaney, coeficiente de correlação de postos parcial, boxplots e gráficos de linha e de dispersão. Resultados: Definiram-se como elementos do mapa conceitual a intenção da pessoa, o comportamento de pessoas próximas e da comunidade, e a percepção da qualidade, do acesso e das atividades disponíveis nos locais em que atividade física no lazer pode ser praticada. O modelo representa uma comunidade hipotética contendo dois tipos de agentes: pessoas e locais em que atividade física no lazer pode ser praticada. As pessoas interagem entre si e com o ambiente construído, gerando tendências temporais populacionais de prática de atividade física no lazer e de intenção. As análises de sensibilidade indicaram que as tendências temporais de atividade física no lazer e de intenção são altamente sensíveis à influência do comportamento atual da pessoa sobre a sua intenção futura, ao tamanho do raio de percepção da pessoa e à proporção de locais em que a atividade física no lazer pode ser praticada. Considerações finais: O mapa conceitual e o modelo baseado em agentes se mostraram adequados para investigar a conformação e evolução de padrões populacionais de atividade física no lazer em adultos. A influência do comportamento da pessoa sobre a sua intenção, o tamanho do raio de percepção da pessoa e a proporção de locais em que a atividade física no lazer pode ser praticada são importantes determinantes da conformação e evolução dos padrões populacionais de atividade física no lazer entre adultos no modelo.

Graphical remote-access simulation system (GRASS), the communication and monitor components (GASP/GLASP).

"Supported in part by contract U.S. AEC AT(11-1)1469."

A universal language for continuous network simulation /

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