8 resultados para 3D QSAR, heat of formation, LUMO, antibacterial agent, aryloxazolidinone

em Universidad Politécnica de Madrid


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The Be- and emerald deposits of the Emerald Mines region, in the central part of the Upper-Paleozoic Uralian orogen (Russia), are related to a major shear zone of N-S direction, where both Be-rich S-type granitoids (Carboniferous to Permian) and Cr-rich rocks (ophiolitic dunites and peridotes, Silurian to Devonian) are present.

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Proyecto de Fin de Carrera de Ingenieria Industrial, versando sobre el completo diseño de una impresora 3D

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This paper gives an overview of three recent studies by the authors on the topic of 3D video Quality of Experience (QoE). Two of studies [1,2] investigated different psychological dimension that may be needed for describing 3D video QoE and the third the visibility and annoyance of crosstalk[3]. The results shows that the video quality scale could be sufficient for evaluating S3D video experience for coding and spatial resolution reduction distortions. It was also confirmed that with a more complex mixture of degradations more than one scale should be used to capture the QoE in these cases. The study found a linear relationship between the perceived crosstalk and the amount of crosstalk.

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This article introduces the current agent-oriented methodologies. It discusses what approaches have been followed (mainly extending existing object oriented and knowledge engineering methodologies), the suitability of these approaches for agent modelling, and some conclusions drawn from the survey.

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The SESAR (Single European Sky ATM Research) program is an ambitious re-search and development initiative to design the future European air traffic man-agement (ATM) system. The study of the behavior of ATM systems using agent-based modeling and simulation tools can help the development of new methods to improve their performance. This paper presents an overview of existing agent-based approaches in air transportation (paying special attention to the challenges that exist for the design of future ATM systems) and, subsequently, describes a new agent-based approach that we proposed in the CASSIOPEIA project, which was developed according to the goals of the SESAR program. In our approach, we use agent models for different ATM stakeholders, and, in contrast to previous work, our solution models new collaborative decision processes for flow traffic management, it uses an intermediate level of abstraction (useful for simulations at larger scales), and was designed to be a practical tool (open and reusable) for the development of different ATM studies. It was successfully applied in three stud-ies related to the design of future ATM systems in Europe.

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This paper describes an agent-based approach for the simulation of air traffic management (ATM) in Europe that was designed to help analyze proposals for future ATM systems. This approach is able to represent new collaborative deci-sion processes for flow traffic management, it uses an intermediate level of ab-straction (useful for simulations at larger scales), and was designed to be a practi-cal tool (open and reusable) for the development of different ATM studies. It was successfully applied in three studies related to the design of future ATM systems in Europe.

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Recent advances in non-destructive imaging techniques, such as X-ray computed tomography (CT), make it possible to analyse pore space features from the direct visualisation from soil structures. A quantitative characterisation of the three-dimensional solid-pore architecture is important to understand soil mechanics, as they relate to the control of biological, chemical, and physical processes across scales. This analysis technique therefore offers an opportunity to better interpret soil strata, as new and relevant information can be obtained. In this work, we propose an approach to automatically identify the pore structure of a set of 200-2D images that represent slices of an original 3D CT image of a soil sample, which can be accomplished through non-linear enhancement of the pixel grey levels and an image segmentation based on a PFCM (Possibilistic Fuzzy C-Means) algorithm. Once the solids and pore spaces have been identified, the set of 200-2D images is then used to reconstruct an approximation of the soil sample by projecting only the pore spaces. This reconstruction shows the structure of the soil and its pores, which become more bounded, less bounded, or unbounded with changes in depth. If the soil sample image quality is sufficiently favourable in terms of contrast, noise and sharpness, the pore identification is less complicated, and the PFCM clustering algorithm can be used without additional processing; otherwise, images require pre-processing before using this algorithm. Promising results were obtained with four soil samples, the first of which was used to show the algorithm validity and the additional three were used to demonstrate the robustness of our proposal. The methodology we present here can better detect the solid soil and pore spaces on CT images, enabling the generation of better 2D?3D representations of pore structures from segmented 2D images.

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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.