Massively parallelizable list-mode reconstruction using a Monte Carlo-based elliptical Gaussian model

Purpose: A fully three-dimensional (3D) massively parallelizable list-mode ordered-subsets expectation-maximization (LM-OSEM) reconstruction algorithm has been developed for high-resolution PET cameras. System response probabilities are calculated online from a set of parameters derived from Monte Carlo simulations. The shape of a system response for a given line of response (LOR) has been shown to be asymmetrical around the LOR. This work has been focused on the development of efficient region-search techniques to sample the system response probabilities, which are suitable for asymmetric kernel models, including elliptical Gaussian models that allow for high accuracy and high parallelization efficiency. The novel region-search scheme using variable kernel models is applied in the proposed PET reconstruction algorithm. Methods: A novel region-search technique has been used to sample the probability density function in correspondence with a small dynamic subset of the field of view that constitutes the region of response (ROR). The ROR is identified around the LOR by searching for any voxel within a dynamically calculated contour. The contour condition is currently defined as a fixed threshold over the posterior probability, and arbitrary kernel models can be applied using a numerical approach. The processing of the LORs is distributed in batches among the available computing devices, then, individual LORs are processed within different processing units. In this way, both multicore and multiple many-core processing units can be efficiently exploited. Tests have been conducted with probability models that take into account the noncolinearity, positron range, and crystal penetration effects, that produced tubes of response with varying elliptical sections whose axes were a function of the crystal's thickness and angle of incidence of the given LOR. The algorithm treats the probability model as a 3D scalar field defined within a reference system aligned with the ideal LOR. Results: This new technique provides superior image quality in terms of signal-to-noise ratio as compared with the histogram-mode method based on precomputed system matrices available for a commercial small animal scanner. Reconstruction times can be kept low with the use of multicore, many-core architectures, including multiple graphic processing units. Conclusions: A highly parallelizable LM reconstruction method has been proposed based on Monte Carlo simulations and new parallelization techniques aimed at improving the reconstruction speed and the image signal-to-noise of a given OSEM algorithm. The method has been validated using simulated and real phantoms. A special advantage of the new method is the possibility of defining dynamically the cut-off threshold over the calculated probabilities thus allowing for a direct control on the trade-off between speed and quality during the reconstruction.

Damage mechanisms of 3D woven hybrid composites in tension. Testing, inspection and simulation

Delamination reduces the strenght of the composites, mainly in compression. Several methods exist to overcome this problem, but they are either not feasible for large scale production or too expensive. 3D composites are a promising solution.

Traffic sign detection and tracking using robust 3D analysis

In this paper we present an innovative technique to tackle the problem of automatic road sign detection and tracking using an on-board stereo camera. It involves a continuous 3D analysis of the road sign during the whole tracking process. Firstly, a color and appearance based model is applied to generate road sign candidates in both stereo images. A sparse disparity map between the left and right images is then created for each candidate by using contour-based and SURF-based matching in the far and short range, respectively. Once the map has been computed, the correspondences are back-projected to generate a cloud of 3D points, and the best-fit plane is computed through RANSAC, ensuring robustness to outliers. Temporal consistency is enforced by means of a Kalman filter, which exploits the intrinsic smoothness of the 3D camera motion in traffic environments. Additionally, the estimation of the plane allows to correct deformations due to perspective, thus easing further sign classification.

Accurate depth-color scene modeling for 3D contents generation with low cost depth cameras

In this paper, we present a depth-color scene modeling strategy for indoors 3D contents generation. It combines depth and visual information provided by a low-cost active depth camera to improve the accuracy of the acquired depth maps considering the different dynamic nature of the scene elements. Accurate depth and color models of the scene background are iteratively built, and used to detect moving elements in the scene. The acquired depth data is continuously processed with an innovative joint-bilateral filter that efficiently combines depth and visual information thanks to the analysis of an edge-uncertainty map and the detected foreground regions. The main advantages of the proposed approach are: removing depth maps spatial noise and temporal random fluctuations; refining depth data at object boundaries, generating iteratively a robust depth and color background model and an accurate moving object silhouette.

Fast human pose estimation using 3D Zernike descriptors

Markerless video-based human pose estimation algorithms face a high-dimensional problem that is frequently broken down into several lower-dimensional ones by estimating the pose of each limb separately. However, in order to do so they need to reliably locate the torso, for which they typically rely on time coherence and tracking algorithms. Their losing track usually results in catastrophic failure of the process, requiring human intervention and thus precluding their usage in real-time applications. We propose a very fast rough pose estimation scheme based on global shape descriptors built on 3D Zernike moments. Using an articulated model that we configure in many poses, a large database of descriptor/pose pairs can be computed off-line. Thus, the only steps that must be done on-line are the extraction of the descriptors for each input volume and a search against the database to get the most likely poses. While the result of such process is not a fine pose estimation, it can be useful to help more sophisticated algorithms to regain track or make more educated guesses when creating new particles in particle-filter-based tracking schemes. We have achieved a performance of about ten fps on a single computer using a database of about one million entries.

Construcción de una maquina de control numérico " CNC" para prototipado rápido de piezas 3D en diferentes polímeros "impresora 3D"

El objetivo principal del presente Proyecto Fin de Carrera es la construcción , montaje y calibración de una impresora 3D auto replicable modelo Prusa Mendel capaz de trabajar en coordenadas polares, lo cual abre las puertas a la investigación de calidades, tolerancias, resistencias estructurales… de estas piezas en comparación con las fabricadas por impresoras cartesianas. Encontraras una guía de montaje paso a paso, además de un listado de todos los componentes, imprimibles y no imprimibles, que componen la impresora 3D. También se analizan y comparan las opciones a la hora de introducir la electrónica necesaria, extrusor y de los posibles errores y soluciones que se pueden encontrar durante la fabricación de una de estas máquinas. Finalmente dispondrás de una guía de calibración de skeinforce 41,para poder conseguir una impresión de gran calidad. Abstract The main objective of this Thesis is the construction, installation and calibration of a self-replicating 3D printer model Prusa Mendel able to work in polar coordinates, which opens the door to research quality, tolerances, these structural resistance ... parts compared to those manufactured by Cartesian printers. In this project you will find a guide step by step assembly, and a list of all components, and 3D printer components printable and unprintable. We also analyze and compare the options when entering the necessary electronics, extruder and possible errors and solutions that may occur during manufacturing of these machines finally have an installation guide calibration skeinforge 41 to get a high quality print

Mechanical behavior and failure micromechanisms of hybrid 3D woven composites in tension

The deformation and failure micromechanisms of a hybrid 3D woven composite were studied in tension. Plain and open-hole composite coupons were tested in tension until failure in the fill and warp directions, as well as fiber tows extracted from the dry fabric and impregnated with the matrix. The macroscopic evolution of damage in the composite coupons was assessed by means of periodic unloading–reloading (to obtain the elastic modulus and the residual strain), whereas the microscopic mechanism were established by means of X-ray computed microtomography. To this end, specimens were periodically removed from the mechanical testing machine and infiltrated with ZnI-containing liquid to assess the main damage modes as a function of the applied strain. The experimental observations and the predictions of an isostrain model were used to understand the key factors controlling the elastic modulus, strength and notch sensitivity of hybrid 3D woven composites in tension. It was found that the full contribution of the glass fibers to the composite strength was not employed, due to the premature fracture of the carbon fibers, but their presence increased the fracture strain and the energy dissipated during fracture. Thus, hybridization of the 3D woven composite led to a notch-insensitive behavior as demonstrated by open-hole tests

Perceptual distortion modeling for side-by-side 3D video delivery

A frame-level distortion model based on perceptual features of the human visual system is proposed to improve the performance of unequal error protection strategies and provide better quality of experience to users in Side-by-Side 3D video delivery systems.

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

Visual attention and perception models for assessing quality in 2D and 3D stereoscopic video

La medida de calidad de vídeo sigue siendo necesaria para definir los criterios que caracterizan una señal que cumpla los requisitos de visionado impuestos por el usuario. Las nuevas tecnologías, como el vídeo 3D estereoscópico o formatos más allá de la alta definición, imponen nuevos criterios que deben ser analizadas para obtener la mayor satisfacción posible del usuario. Entre los problemas detectados durante el desarrollo de esta tesis doctoral se han determinado fenómenos que afectan a distintas fases de la cadena de producción audiovisual y tipo de contenido variado. En primer lugar, el proceso de generación de contenidos debe encontrarse controlado mediante parámetros que eviten que se produzca el disconfort visual y, consecuentemente, fatiga visual, especialmente en lo relativo a contenidos de 3D estereoscópico, tanto de animación como de acción real. Por otro lado, la medida de calidad relativa a la fase de compresión de vídeo emplea métricas que en ocasiones no se encuentran adaptadas a la percepción del usuario. El empleo de modelos psicovisuales y diagramas de atención visual permitirían ponderar las áreas de la imagen de manera que se preste mayor importancia a los píxeles que el usuario enfocará con mayor probabilidad. Estos dos bloques se relacionan a través de la definición del término saliencia. Saliencia es la capacidad del sistema visual para caracterizar una imagen visualizada ponderando las áreas que más atractivas resultan al ojo humano. La saliencia en generación de contenidos estereoscópicos se refiere principalmente a la profundidad simulada mediante la ilusión óptica, medida en términos de distancia del objeto virtual al ojo humano. Sin embargo, en vídeo bidimensional, la saliencia no se basa en la profundidad, sino en otros elementos adicionales, como el movimiento, el nivel de detalle, la posición de los píxeles o la aparición de caras, que serán los factores básicos que compondrán el modelo de atención visual desarrollado. Con el objetivo de detectar las características de una secuencia de vídeo estereoscópico que, con mayor probabilidad, pueden generar disconfort visual, se consultó la extensa literatura relativa a este tema y se realizaron unas pruebas subjetivas preliminares con usuarios. De esta forma, se llegó a la conclusión de que se producía disconfort en los casos en que se producía un cambio abrupto en la distribución de profundidades simuladas de la imagen, aparte de otras degradaciones como la denominada “violación de ventana”. A través de nuevas pruebas subjetivas centradas en analizar estos efectos con diferentes distribuciones de profundidades, se trataron de concretar los parámetros que definían esta imagen. Los resultados de las pruebas demuestran que los cambios abruptos en imágenes se producen en entornos con movimientos y disparidades negativas elevadas que producen interferencias en los procesos de acomodación y vergencia del ojo humano, así como una necesidad en el aumento de los tiempos de enfoque del cristalino. En la mejora de las métricas de calidad a través de modelos que se adaptan al sistema visual humano, se realizaron también pruebas subjetivas que ayudaron a determinar la importancia de cada uno de los factores a la hora de enmascarar una determinada degradación. Los resultados demuestran una ligera mejora en los resultados obtenidos al aplicar máscaras de ponderación y atención visual, los cuales aproximan los parámetros de calidad objetiva a la respuesta del ojo humano. ABSTRACT Video quality assessment is still a necessary tool for defining the criteria to characterize a signal with the viewing requirements imposed by the final user. New technologies, such as 3D stereoscopic video and formats of HD and beyond HD oblige to develop new analysis of video features for obtaining the highest user’s satisfaction. Among the problems detected during the process of this doctoral thesis, it has been determined that some phenomena affect to different phases in the audiovisual production chain, apart from the type of content. On first instance, the generation of contents process should be enough controlled through parameters that avoid the occurrence of visual discomfort in observer’s eye, and consequently, visual fatigue. It is especially necessary controlling sequences of stereoscopic 3D, with both animation and live-action contents. On the other hand, video quality assessment, related to compression processes, should be improved because some objective metrics are adapted to user’s perception. The use of psychovisual models and visual attention diagrams allow the weighting of image regions of interest, giving more importance to the areas which the user will focus most probably. These two work fields are related together through the definition of the term saliency. Saliency is the capacity of human visual system for characterizing an image, highlighting the areas which result more attractive to the human eye. Saliency in generation of 3DTV contents refers mainly to the simulated depth of the optic illusion, i.e. the distance from the virtual object to the human eye. On the other hand, saliency is not based on virtual depth, but on other features, such as motion, level of detail, position of pixels in the frame or face detection, which are the basic features that are part of the developed visual attention model, as demonstrated with tests. Extensive literature involving visual comfort assessment was looked up, and the development of new preliminary subjective assessment with users was performed, in order to detect the features that increase the probability of discomfort to occur. With this methodology, the conclusions drawn confirmed that one common source of visual discomfort was when an abrupt change of disparity happened in video transitions, apart from other degradations, such as window violation. New quality assessment was performed to quantify the distribution of disparities over different sequences. The results confirmed that abrupt changes in negative parallax environment produce accommodation-vergence mismatches derived from the increasing time for human crystalline to focus the virtual objects. On the other side, for developing metrics that adapt to human visual system, additional subjective tests were developed to determine the importance of each factor, which masks a concrete distortion. Results demonstrated slight improvement after applying visual attention to objective metrics. This process of weighing pixels approximates the quality results to human eye’s response.

Coupled Nonlinear Ginzburg-Landau and Mechanics Model for Martensitic Transformations in Polycrystals

Las transformaciones martensíticas (MT) se definen como un cambio en la estructura del cristal para formar una fase coherente o estructuras de dominio multivariante, a partir de la fase inicial con la misma composición, debido a pequeños intercambios o movimientos atómicos cooperativos. En el siglo pasado se han descubierto MT en diferentes materiales partiendo desde los aceros hasta las aleaciones con memoria de forma, materiales cerámicos y materiales inteligentes. Todos muestran propiedades destacables como alta resistencia mecánica, memoria de forma, efectos de superelasticidad o funcionalidades ferroicas como la piezoelectricidad, electro y magneto-estricción etc. Varios modelos/teorías se han desarrollado en sinergia con el desarrollo de la física del estado sólido para entender por qué las MT generan microstructuras muy variadas y ricas que muestran propiedades muy interesantes. Entre las teorías mejor aceptadas se encuentra la Teoría Fenomenológica de la Cristalografía Martensítica (PTMC, por sus siglas en inglés) que predice el plano de hábito y las relaciones de orientación entre la austenita y la martensita. La reinterpretación de la teoría PTMC en un entorno de mecánica del continuo (CM-PTMC) explica la formación de los dominios de estructuras multivariantes, mientras que la teoría de Landau con dinámica de inercia desentraña los mecanismos físicos de los precursores y otros comportamientos dinámicos. La dinámica de red cristalina desvela la reducción de la dureza acústica de las ondas de tensión de red que da lugar a transformaciones débiles de primer orden en el desplazamiento. A pesar de las diferencias entre las teorías estáticas y dinámicas dado su origen en diversas ramas de la física (por ejemplo mecánica continua o dinámica de la red cristalina), estas teorías deben estar inherentemente conectadas entre sí y mostrar ciertos elementos en común en una perspectiva unificada de la física. No obstante las conexiones físicas y diferencias entre las teorías/modelos no se han tratado hasta la fecha, aun siendo de importancia crítica para la mejora de modelos de MT y para el desarrollo integrado de modelos de transformaciones acopladas de desplazamiento-difusión. Por lo tanto, esta tesis comenzó con dos objetivos claros. El primero fue encontrar las conexiones físicas y las diferencias entre los modelos de MT mediante un análisis teórico detallado y simulaciones numéricas. El segundo objetivo fue expandir el modelo de Landau para ser capaz de estudiar MT en policristales, en el caso de transformaciones acopladas de desplazamiento-difusión, y en presencia de dislocaciones. Comenzando con un resumen de los antecedente, en este trabajo se presentan las bases físicas de los modelos actuales de MT. Su capacidad para predecir MT se clarifica mediante el ansis teórico y las simulaciones de la evolución microstructural de MT de cúbicoatetragonal y cúbicoatrigonal en 3D. Este análisis revela que el modelo de Landau con representación irreducible de la deformación transformada es equivalente a la teoría CM-PTMC y al modelo de microelasticidad para predecir los rasgos estáticos durante la MT, pero proporciona una mejor interpretación de los comportamientos dinámicos. Sin embargo, las aplicaciones del modelo de Landau en materiales estructurales están limitadas por su complejidad. Por tanto, el primer resultado de esta tesis es el desarrollo del modelo de Landau nolineal con representación irreducible de deformaciones y de la dinámica de inercia para policristales. La simulación demuestra que el modelo propuesto es consistente fcamente con el CM-PTMC en la descripción estática, y también permite una predicción del diagrama de fases con la clásica forma ’en C’ de los modos de nucleación martensítica activados por la combinación de temperaturas de enfriamiento y las condiciones de tensión aplicada correlacionadas con la transformación de energía de Landau. Posteriomente, el modelo de Landau de MT es integrado con un modelo de transformación de difusión cuantitativa para elucidar la relajación atómica y la difusión de corto alcance de los elementos durante la MT en acero. El modelo de transformaciones de desplazamiento y difusión incluye los efectos de la relajación en borde de grano para la nucleación heterogenea y la evolución espacio-temporal de potenciales de difusión y movilidades químicas mediante el acoplamiento de herramientas de cálculo y bases de datos termo-cinéticos de tipo CALPHAD. El modelo se aplica para estudiar la evolución microstructural de aceros al carbono policristalinos procesados por enfriamiento y partición (Q&P) en 2D. La microstructura y la composición obtenida mediante la simulación se comparan con los datos experimentales disponibles. Los resultados muestran el importante papel jugado por las diferencias en movilidad de difusión entre la fase austenita y martensita en la distibución de carbono en las aceros. Finalmente, un modelo multi-campo es propuesto mediante la incorporación del modelo de dislocación en grano-grueso al modelo desarrollado de Landau para incluir las diferencias morfológicas entre aceros y aleaciones con memoria de forma con la misma ruptura de simetría. La nucleación de dislocaciones, la formación de la martensita ’butterfly’, y la redistribución del carbono después del revenido son bien representadas en las simulaciones 2D del estudio de la evolución de la microstructura en aceros representativos. Con dicha simulación demostramos que incluyendo las dislocaciones obtenemos para dichos aceros, una buena comparación frente a los datos experimentales de la morfología de los bordes de macla, la existencia de austenita retenida dentro de la martensita, etc. Por tanto, basado en un modelo integral y en el desarrollo de códigos durante esta tesis, se ha creado una herramienta de modelización multiescala y multi-campo. Dicha herramienta acopla la termodinámica y la mecánica del continuo en la macroescala con la cinética de difusión y los modelos de campo de fase/Landau en la mesoescala, y también incluye los principios de la cristalografía y de la dinámica de red cristalina en la microescala. ABSTRACT Martensitic transformation (MT), in a narrow sense, is defined as the change of the crystal structure to form a coherent phase, or multi-variant domain structures out from a parent phase with the same composition, by small shuffles or co-operative movements of atoms. Over the past century, MTs have been discovered in different materials from steels to shape memory alloys, ceramics, and smart materials. They lead to remarkable properties such as high strength, shape memory/superelasticity effects or ferroic functionalities including piezoelectricity, electro- and magneto-striction, etc. Various theories/models have been developed, in synergy with development of solid state physics, to understand why MT can generate these rich microstructures and give rise to intriguing properties. Among the well-established theories, the Phenomenological Theory of Martensitic Crystallography (PTMC) is able to predict the habit plane and the orientation relationship between austenite and martensite. The re-interpretation of the PTMC theory within a continuum mechanics framework (CM-PTMC) explains the formation of the multivariant domain structures, while the Landau theory with inertial dynamics unravels the physical origins of precursors and other dynamic behaviors. The crystal lattice dynamics unveils the acoustic softening of the lattice strain waves leading to the weak first-order displacive transformation, etc. Though differing in statics or dynamics due to their origins in different branches of physics (e.g. continuum mechanics or crystal lattice dynamics), these theories should be inherently connected with each other and show certain elements in common within a unified perspective of physics. However, the physical connections and distinctions among the theories/models have not been addressed yet, although they are critical to further improving the models of MTs and to develop integrated models for more complex displacivediffusive coupled transformations. Therefore, this thesis started with two objectives. The first one was to reveal the physical connections and distinctions among the models of MT by means of detailed theoretical analyses and numerical simulations. The second objective was to expand the Landau model to be able to study MTs in polycrystals, in the case of displacive-diffusive coupled transformations, and in the presence of the dislocations. Starting with a comprehensive review, the physical kernels of the current models of MTs are presented. Their ability to predict MTs is clarified by means of theoretical analyses and simulations of the microstructure evolution of cubic-to-tetragonal and cubic-to-trigonal MTs in 3D. This analysis reveals that the Landau model with irreducible representation of the transformed strain is equivalent to the CM-PTMC theory and microelasticity model to predict the static features during MTs but provides better interpretation of the dynamic behaviors. However, the applications of the Landau model in structural materials are limited due its the complexity. Thus, the first result of this thesis is the development of a nonlinear Landau model with irreducible representation of strains and the inertial dynamics for polycrystals. The simulation demonstrates that the updated model is physically consistent with the CM-PTMC in statics, and also permits a prediction of a classical ’C shaped’ phase diagram of martensitic nucleation modes activated by the combination of quenching temperature and applied stress conditions interplaying with Landau transformation energy. Next, the Landau model of MT is further integrated with a quantitative diffusional transformation model to elucidate atomic relaxation and short range diffusion of elements during the MT in steel. The model for displacive-diffusive transformations includes the effects of grain boundary relaxation for heterogeneous nucleation and the spatio-temporal evolution of diffusion potentials and chemical mobility by means of coupling with a CALPHAD-type thermo-kinetic calculation engine and database. The model is applied to study for the microstructure evolution of polycrystalline carbon steels processed by the Quenching and Partitioning (Q&P) process in 2D. The simulated mixed microstructure and composition distribution are compared with available experimental data. The results show that the important role played by the differences in diffusion mobility between austenite and martensite to the partitioning in carbon steels. Finally, a multi-field model is proposed by incorporating the coarse-grained dislocation model to the developed Landau model to account for the morphological difference between steels and shape memory alloys with same symmetry breaking. The dislocation nucleation, the formation of the ’butterfly’ martensite, and the redistribution of carbon after tempering are well represented in the 2D simulations for the microstructure evolution of the representative steels. With the simulation, we demonstrate that the dislocations account for the experimental observation of rough twin boundaries, retained austenite within martensite, etc. in steels. Thus, based on the integrated model and the in-house codes developed in thesis, a preliminary multi-field, multiscale modeling tool is built up. The new tool couples thermodynamics and continuum mechanics at the macroscale with diffusion kinetics and phase field/Landau model at the mesoscale, and also includes the essentials of crystallography and crystal lattice dynamics at microscale.

Definición e implantación de herramientas avanzadas 3D en el diseño integrado y eficiente de sistemas HVAC en buques, desde el proyecto conceptual hasta la producción

Uno de los aspectos más complicados del diseño de sistemas HVAC en buques es la correcta evaluación de las necesidades de aire fresco y el correcto dimensionado de los conductos que suministran dicho aire y evacuan el calor generado a bordo. Contrariamente a lo que sucede en los sistemas de tuberías, las características particulares del caudal de aire hacen que el dimensionado de los conductos sea muy sensible al trazado y geometría de los mismos, por lo que para obtener un buen diseño es necesaria una relación muy estrecha y una integración bidireccional entre los cálculos y el trazado de los propios conductos en el buque. Asumida la utilización de sistemas CAD/CAM para las tareas de diseño, históricamente, aquellos que permitían modelar conductos HVAC no incluían en su alcance de suministro los aspectos de cálculo, y como consecuencia de ello, el trazado de conductos se reducía a la inclusión en el modelo 3D de circuitos y sistemas previamente calculados y dimensionados, Así, servían únicamente para calcular interferencias con otros elementos del modelo 3D y para obtener posteriormente planos de fabricación y montaje. Esto, que por sí no es poco, dejaba el diseño de sistemas HVAC pendiente de una importante interacción manual y de habituales retrabajos, ya que cualquier modificación en el trazado de los conductos, consecuencia de otras necesidades del diseño, obligaba a los diseñadores a recalcular y redimensionar los conductos en un entorno diferente al del propio sistema CAD/CAM, y volver a realizar el modelado de los mismos, reduciendo significativamente las ventajas de la utilización de un modelo 3D. Partiendo de esta situación real, y con objeto de solucionar el problema que para el diseño y la propia producción del buque se creaba, se concibió una herramienta que permitiera la definición en el modelo 3D de diagramas de ventilación, el cálculo de pérdidas de presión, el dimensionado automático de los conductos, y que toda esta información pudiera estar disponible y reutilizarse en las etapas posteriores del diseño. Con ello, los diseñadores podrían realizar su trabajo en un entorno único, totalmente integrado con el resto de disciplinas. El objeto de esta Tesis Doctoral es analizar en detalle el problema y las ineficiencias actuales del diseño de HVAC, describir la innovadora herramienta concebida para paliar estas ineficiencias, detallando las bases sobre la que se construye, y destacar las ventajas que se obtienen de su uso. La herramienta en cuestión fue concebida como una funcionalidad adicional del sistema CAD/CAM naval FORAN, referente tecnológico en el mundo del diseño y la construcción navales, y como consecuencia de ellos se llevó a cabo el desarrollo correspondiente. En la actualidad, el sistema FORAN incluye en su alcance de suministro una primera versión de esta herramienta, cuya utilidad queda avalada por el uso que de la misma hacen astilleros y oficinas técnicas en todo el mundo. Esta Tesis Doctoral es eminentemente práctica. No es un estudio teórico de dudosa aplicación, sino que tiene por objeto aportar una solución eficiente a un problema real que muchos astilleros y oficinas técnicas, incluidas los más avanzados, padecen hoy en día. No tiene otra motivación que servir de ayuda para lograr diseñar y construir mejores barcos, en un plazo más corto, y a un coste menor. Nada más, pero nada menos. ABSTRACT One of the most complicated aspects of the design of HVAC systems in shipbuilding is the correct evaluation of the fresh air needs, the correct balancing of the ducts that supply this air and evacuate the existing heat on board. In opposition to piping systems, due to the particular characteristics of the air flow, the balancing of the ducts is very sensitive to the routing and the aspect of the ducts, so the correct design requires a close interconnectivity between calculations and routing. Already assumed the use of CAD/CAM systems for design tasks, historically, those CAD/CAM systems capable of modelling HVAC ducts did not cover calculation aspects, with the result that the routing of HVAC ducts was reduced solely to the input of previously balanced circuits into the 3D Product Model for the purpose of interference checking and generation of fabrication and assembly drawings. This situation, not negligible at all, put the design of HVAC ducts very dependent on manual operations and common rework task, as any modification in the routing of the HVAC ducts, derived from design needs, obliged engineers to re-balance the ducts and eventually to re-size them independently of the CAD-CAM environment, thus annulling the advantages of the 3D Product Model. With this situation in mind, and with the objective of filling the gap created in the design and construction of the ship, it was conceived a tool allowing the definition, within the 3D Product model, of HVAC diagrams, the calculation of pressure drops, the automatic dimensioning of ducts. With this, engineers could make the complete HVAC design in a single working environment, fully integrated with the rest of the disciplines. The present Ph. D. thesis analyses in deep the existing problem and the current lack of efficiency in HVAC design, describes the innovative tool conceived to minimize it, details the basis on which the tool is built, and highlights the advantages of its use. This tool was conceived as an additional functionality of the marine CAD/CAM system FORAN, a technological reference in the shipdesign and shipbuilding industry. As a consequence, it was developed, and nowadays FORAN System includes in its scope of supply a first version of the tool, with its usefulness endorsed by the fact that it is used by shipyards and shipdesign offices all over the world. This Ph. D. thesis is on top everything, of practical nature. It is not a theoretical study with doubtful application. On the contrary, its objective is to provide with an efficient solution for solving a real problem that many shipyards and shipdesign offices, including those more advanced, suffer nowadays. It has no other motivation that to help in the process of designing and building better and cheaper ships, within a shorter deliver time. Nothing more, but nothing less.

Mejoras y extensiones en el Front-End de un modelo de predicción de acciones de un estudiante en un laboratorio virtual 3D

Este documento presenta las mejoras y las extensiones introducidas en la herramienta de visualización del modelo predictivo del comportamiento del estudiante o Student Behavior Predictor Viewer (SBPV), implementada en un trabajo anterior. El modelo predictivo del comportamiento del estudiante es parte de un sistema inteligente de tutoría, y se construye a partir de los registros de actividad de los estudiantes en un laboratorio virtual 3D, como el Laboratorio Virtual de Biotecnología Agroforestal, implementado en un trabajo anterior, y cuyos registros de actividad de los estudiantes se han utilizado para validar este trabajo fin de grado. El SBPV es una herramienta para visualizar una representación gráfica 2D del grafo extendido asociado con cualquiera de los clusters del modelo predictivo del estudiante. Además de la visualización del grafo extendido, el SBPV controla la navegación a través del grafo por medio del navegador web. Más concretamente, el SBPV permite al usuario moverse a través del grafo, ampliar o reducir el zoom del gráfico o buscar un determinado estado. Además, el SBPV también permite al usuario modificar el diseño predeterminado del grafo en la pantalla al cambiar la posición de los estados con el ratón. Como parte de este trabajo fin de grado, se han corregido errores existentes en la versión anterior y se han introducido una serie de mejoras en el rendimiento y la usabilidad. En este sentido, se han implementado nuevas funcionalidades, tales como la visualización del modelo de comportamiento de cada estudiante individualmente o la posibilidad de elegir el método de clustering para crear el modelo predictivo del estudiante; así como ha sido necesario rediseñar la interfaz de usuario cambiando el tipo de estructuras gráficas con que se muestran los elementos del modelo y mejorando la visualización del grafo al interaccionar el usuario con él. Todas estas mejoras se explican detenidamente en el presente documento.---ABSTRACT---This document presents the improvements and extensions made to the visualization tool Student Behavior Predictor Viewer (SBPV), implemented in a previous job. The student behavior predictive model is part of an intelligent tutoring system, and is built from the records of students activity in a 3D virtual laboratory, like the “Virtual Laboratory of Agroforestry Biotechnology” implemented in a previous work, and whose records of students activity have been used to validate this final degree work. The SBPV is a tool for visualizing a 2D graphical representation of the extended graph associated with any of the clusters of the student predictive model. Apart from visualizing the extended graph, the SBPV supports the navigation across the graph by means of desktop devices. More precisely, the SBPV allows user to move through the graph, to zoom in/out the graphic or to locate a given state. In addition, the SBPV also allows user to modify the default layout of the graph on the screen by changing the position of the states by means of the mouse. As part of this work, some bugs of the previous version have been fixed and some enhancements have been implemented to improve the performance and the usability. In this sense, we have implemented new features, such as the display of the model behavior of only one student or the possibility of selecting the clustering method to create the student predictive model; as well as it was necessary to redesign the user interface changing the type of graphic structures that show model elements and improving the rendering of the graph when the user interacts with it. All these improvements are explained in detail in the next sections.

The RESID Database of protein structure modifications and the NRL-3D Sequence–Structure Database

The RESID Database is a comprehensive collection of annotations and structures for protein post-translational modifications including N-terminal, C-terminal and peptide chain cross-link modifications. The RESID Database includes systematic and frequently observed alternate names, Chemical Abstracts Service registry numbers, atomic formulas and weights, enzyme activities, taxonomic range, keywords, literature citations with database cross-references, structural diagrams and molecular models. The NRL-3D Sequence–Structure Database is derived from the three-dimensional structure of proteins deposited with the Research Collaboratory for Structural Bioinformatics Protein Data Bank. The NRL-3D Database includes standardized and frequently observed alternate names, sources, keywords, literature citations, experimental conditions and searchable sequences from model coordinates. These databases are freely accessible through the National Cancer Institute–Frederick Advanced Biomedical Computing Center at these web sites: http://www.ncifcrf.gov/RESID, http://www.ncifcrf.gov/ NRL-3D; or at these National Biomedical Research Foundation Protein Information Resource web sites: http://pir.georgetown.edu/pirwww/dbinfo/resid.html, http://pir.georgetown.edu/pirwww/dbinfo/nrl3d.html

Comparison of the defensive elicitation activity of cerato-populin and cerato-platanin: a structural model

Plants can defend themselves from potential pathogenic microorganisms relying on a complex interplay of signaling pathways: activation of the MAPK cascade, transcription of defense related genes, production of reactive oxygen species, nitric oxide and synthesis of other defensive compounds such as phytoalexins. These events are triggered by the recognition of pathogen’s effectors (effector-triggered immunity) or PAMPs (PAMP-triggered immunity). The Cerato Platanin Family (CPF) members are Cys-rich proteins secreted and localized on fungal cell walls, involved in several aspects of fungal development and pathogen-host interactions. Although more than hundred genes of the CPF have been identified and analyzed, the structural and functional characterization of the expressed proteins has been restricted only to few members of the family. Interestingly, those proteins have been shown to bind chitin with diverse affinity and after foliar treatment they elicit defensive mechanisms in host and non-host plants. This property turns cerato platanins into interesting candidates, worth to be studied to develop new fungal elicitors with applications in sustainable agriculture. This study focus on cerato-platanin (CP), core member of the family and on the orthologous cerato-populin (Pop1). The latter shows an identity of 62% and an overall homology of 73% with respect to CP. Both proteins are able to induce MAPKs phosphorylation, production of reactive oxygen species and nitric oxide, overexpression of defense’s related genes, programmed cell death and synthesis of phytoalexins. CP, however, when compared to Pop1, induces a faster response and, in some cases, a stronger activity on plane leaves. Aim of the present research is to verify if the dissimilarities observed in the defense elicitation activity of these proteins can be associated to their structural and dynamic features. Taking advantage of the available CP NMR structure, Pop1’s 3D one was obtained by homology modeling. Experimental residual dipolar couplings and 1H, 15N, 13C resonance assignments were used to validate the model. Previous works on CPF members, addressed the highly conserved random coil regions (loops b1-b2 and b2-b3) as sufficient and necessary to induce necrosis in plants’ leaves: that region was investigated in both Pop1 and CP. In the two proteins the loops differ, in their primary sequence, for few mutations and an insertion with a consequent diversification of the proteins’ electrostatic surface. A set of 2D and 3D NMR experiments was performed to characterize both the spatial arrangement and the dynamic features of the loops. NOE data revealed a more extended network of interactions between the loops in Pop1 than in CP. In addition, in Pop1 we identified a salt bridge Lys25/Asp52 and a strong hydrophobic interaction between Phe26/Trp53. These structural features were expected not only to affect the loops’ spatial arrangement, but also to reduce the degree of their conformational freedom. Relaxation data and the order parameter S2 indeed highlighted reduced flexibility, in particular for loop b1-b2 of Pop1. In vitro NMR experiments, where Pop1 and CP were titrated with oligosaccharides, supported the hypothesis that the loops structural and dynamic differences may be responsible for the different chitin-binding properties of the two proteins: CP selectively binds tetramers of chitin in a shallow groove on one side of the barrel defined by loops b1-b2, b2-b3 and b4-b5, Pop1, instead, interacts in a non-specific fashion with oligosaccharides. Because the region involved in chitin-binding is also responsible for the defense elicitation activity, possibly being recognized by plant's receptors, it is reasonable to expect that those structural and dynamic modifications may also justify the different extent of defense elicitation. To test that hypothesis, the initial steps of a protocol aimed to the identify a receptor for CP, in silico, are presented.