925 resultados para COMPUTER-AIDED MOLECULAR DESIGN


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The design optimization of industrial products has always been an essential activity to improve product quality while reducing time-to-market and production costs. Although cost management is very complex and comprises all phases of the product life cycle, the control of geometrical and dimensional variations, known as Dimensional Management (DM), allows compliance with product and process requirements. Hence, the tolerance-cost optimization becomes the main practice to provide an effective application of Design for Tolerancing (DfT) and Design to Cost (DtC) approaches by enabling a connection between product tolerances and associated manufacturing costs. However, despite the growing interest in this topic, a profitable application in the industry of these techniques is hampered by their complexity: the definition of a systematic framework is the key element to improving design optimization, enhancing the concurrent use of Computer-Aided tools and Model-Based Definition (MBD) practices. The present doctorate research aims to define and develop an integrated methodology for product/process design optimization, to better exploit the new capabilities of advanced simulations and tools. By implementing predictive models and multi-disciplinary optimization, a Computer-Aided Integrated framework for tolerance-cost optimization has been proposed to allow the integration of DfT and DtC approaches and their direct application for the design of automotive components. Several case studies have been considered, with the final application of the integrated framework on a high-performance V12 engine assembly, to achieve both functional targets and cost reduction. From a scientific point of view, the proposed methodology provides an improvement for the tolerance-cost optimization of industrial components. The integration of theoretical approaches and Computer-Aided tools allows to analyse the influence of tolerances on both product performance and manufacturing costs. The case studies proved the suitability of the methodology for its application in the industrial field, providing the identification of further areas for improvement and refinement.

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This study proposed to evaluate the mandibular biomechanics in the posterior dentition based on experimental and computational analyses. The analyses were performed on a model of human mandible, which was modeled by epoxy resin for photoelastic analysis and by computer-aided design for finite element analysis. To standardize the evaluation, specific areas were determined at the lateral surface of mandibular body. The photoelastic analysis was configured through a vertical load on the first upper molar and fixed support at the ramus of mandible. The same configuration was used in the computer simulation. Force magnitudes of 50, 100, 150, and 200 N were applied to evaluate the bone stress. The stress results presented similar distribution in both analyses, with the more intense stress being at retromolar area and oblique line and alveolar process at molar level. This study presented the similarity of results in the experimental and computational analyses and, thus, showed the high importance of morphology biomechanical characterization at posterior dentition.

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Maxillofacial trauma resulting from falls in elderly patients is a major social and health care concern. Most of these traumatic events involve mandibular fractures. The aim of this study was to analyze stress distributions from traumatic loads applied on the symphyseal, parasymphyseal, and mandibular body regions in the elderly edentulous mandible using finite-element analysis (FEA). Computerized tomographic analysis of an edentulous macerated human mandible of a patient approximately 65 years old was performed. The bone structure was converted into a 3-dimensional stereolithographic model, which was used to construct the computer-aided design (CAD) geometry for FEA. The mechanical properties of cortical and cancellous bone were characterized as isotropic and elastic structures, respectively, in the CAD model. The condyles were constrained to prevent free movement in the x-, y-, and z-axes during simulation. This enabled the simulation to include the presence of masticatory muscles during trauma. Three different simulations were performed. Loads of 700 N were applied perpendicular to the surface of the cortical bone in the symphyseal, parasymphyseal, and mandibular body regions. The simulation results were evaluated according to equivalent von Mises stress distributions. Traumatic load at the symphyseal region generated low stress levels in the mental region and high stress levels in the mandibular neck. Traumatic load at the parasymphyseal region concentrated the resulting stress close to the mental foramen. Traumatic load in the mandibular body generated extensive stress in the mandibular body, angle, and ramus. FEA enabled precise mapping of the stress distribution in a human elderly edentulous mandible (neck and mandibular angle) in response to 3 different traumatic load conditions. This knowledge can help guide emergency responders as they evaluate patients after a traumatic event.

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This work discusses a 4D lung reconstruction method from unsynchronized MR sequential images. The lung, differently from the heart, does not have its own muscles, turning impossible to see its real movements. The visualization of the lung in motion is an actual topic of research in medicine. CT (Computerized Tomography) can obtain spatio-temporal images of the heart by synchronizing with electrocardiographic waves. The FOV of the heart is small when compared to the lung`s FOV. The lung`s movement is not periodic and is susceptible to variations in the degree of respiration. Compared to CT, MR (Magnetic Resonance) imaging involves longer acquisition times and it is not possible to obtain instantaneous 3D images of the lung. For each slice, only one temporal sequence of 2D images can be obtained. However, methods using MR are preferable because they do not involve radiation. In this paper, based on unsynchronized MR images of the lung an animated B-Repsolid model of the lung is created. The 3D animation represents the lung`s motion associated to one selected sequence of MR images. The proposed method can be divided in two parts. First, the lung`s silhouettes moving in time are extracted by detecting the presence of a respiratory pattern on 2D spatio-temporal MR images. This approach enables us to determine the lung`s silhouette for every frame, even on frames with obscure edges. The sequence of extracted lung`s silhouettes are unsynchronized sagittal and coronal silhouettes. Using our algorithm it is possible to reconstruct a 3D lung starting from a silhouette of any type (coronal or sagittal) selected from any instant in time. A wire-frame model of the lung is created by composing coronal and sagittal planar silhouettes representing cross-sections. The silhouette composition is severely underconstrained. Many wire-frame models can be created from the observed sequences of silhouettes in time. Finally, a B-Rep solid model is created using a meshing algorithm. Using the B-Rep solid model the volume in time for the right and left lungs were calculated. It was possible to recognize several characteristics of the 3D real right and left lungs in the shaded model. (C) 2007 Elsevier Ltd. All rights reserved.

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Purpose of review To identify and discuss recent research studies that propose innovative psychosocial interventions in old age psychiatry. Recent findings Studies have shown that cognitive training research for healthy elderly has advanced in several ways, particularly in the refinement of study design and methodology. Studies have included larger samples and longer training protocols. Interestingly, new research has shown changes in biological markers associated with learning and memory after cognitive training. Among mild cognitive impairment patients, results have demonstrated that they benefit from interventions displaying cognitive plasticity. Rehabilitation studies involving dementia patients have suggested the efficacy of combined treatment approaches, and light and music therapies have shown promising effects. For psychiatric disorders, innovations have included improvements in well known techniques such as cognitive behavior therapy, studies in subpopulations with comorbidities, as well as the use of new computer-aided resources. Summary Research evidence on innovative interventions in old age psychiatry suggests that this exciting field is moving forward by means of methodological refinements and testing of creative new ideas.

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Text serves as a sequel to 'Computational and Constructive Design Theory,' c1996; containing research papers and surveys of recent research work on design construction and computer-aided study of designs. For researchers in theory of computational designs.

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Purpose: The aim of this research was to evaluate the fatigue behavior and reliability of monolithic computer-aided design/computer-assisted manufacture (CAD/CAM) lithium disilicate and hand-layer-veneered zirconia all-ceramic crowns. Materials and Methods: A CAD-based mandibular molar crown preparation, fabricated using rapid prototyping, served as the master die. Fully anatomically shaped monolithic lithium disilicate crowns (IPS e.max CAD, n = 19) and hand-layer-veneered zirconia-based crowns (IPS e.max ZirCAD/Ceram, n = 21) were designed and milled using a CAD/CAM system. Crowns were cemented on aged dentinlike composite dies with resin cement. Crowns were exposed to mouth-motion fatigue by sliding a WC-indenter (r = 3.18 mm) 0.7 mm lingually down the distobuccal cusp using three different step-stress profiles until failure occurred. Failure was designated as a large chip or fracture through the crown. If no failures occurred at high loads (> 900 N), the test method was changed to staircase r ratio fatigue. Stress level probability curves and reliability were calculated. Results: Hand-layer-veneered zirconia crowns revealed veneer chipping and had a reliability of < 0.01 (0.03 to 0.00, two-sided 90% confidence bounds) for a mission of 100,000 cycles and a 200-N load. None of the fully anatomically shaped CAD/CAM-fabricated monolithic lithium disilicate crowns failed during step-stress mouth-motion fatigue (180,000 cycles, 900 N). CAD/CAM lithium disilicate crowns also survived r ratio fatigue (1,000,000 cycles, 100 to 1,000 N). There appears to be a threshold for damage/bulk fracture for the lithium disilicate ceramic in the range of 1,100 to 1,200 N. Conclusion: Based on present fatigue findings, the application of CAD/CAM lithium disilicate ceramic in a monolithic/fully anatomical configuration resulted in fatigue-resistant crowns, whereas hand-layer-veneered zirconia crowns revealed a high susceptibility to mouth-motion cyclic loading with early veneer failures. Int J Prosthodont 2010; 23: 434-442.

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Recentemente, a expans??o do n??mero de munic??pios conveniados com a FNS fez aumentar a demanda por novos projetos de melhoria dos sistemas de ??gua e esgotos. Ao mesmo tempo, a FNS enfrentava car??ncia de pessoal t??cnico especializado, dificuldades de admiss??o de novos profissionais e limita????o de recursos para a contrata????o de projetos atrav??s de empresas privadas, inviabilizando o atendimento das demandas pela forma tradicional. Diante disso, servidores da FNS desenvolveram um software para projetos de redes de esgotos sanit??rios, utilizando os recursos modernos da computa????o gr??fica (CAD ??? Computer Aided Design). Acoplado ao CAD, prop??s-se a cria????o de um m??dulo de dimensionamento, resultando numa ferramenta completa de elabora????o de projetos, em ambiente computacional Windows, contemplando as v??rias etapas t??picas de um trabalho na ??rea, desde a digitaliza????o do levantamento topogr??fico, lan??amento da rede, c??lculos, planilhas, desenho e montagem final das pranchas geradas. Este sistema foi denominado Sancad. A utiliza????o do Sancad permitiu uma redu????o m??dia de 60 a 70% no tempo de elabora????o de projetos, significando uma forma de atender a um n??mero maior de demandas e de suprir a car??ncia de profissionais na FNS. Al??m disso, a utiliza????o do Sancad tem mostrado ganhos em termos de qualidade, corre????o e confiabilidade do produto final obtido. As previs??es iniciais quanto ?? abrang??ncia de utiliza????o do Sancad foram amplamente superadas, tendo o mesmo se tornado um padr??o para a ??rea de projetos de saneamento da FNS, estando instalado em 12 unidades da Funda????o em todo o Brasil e em processo de instala????o em outras. O Sancad tornou-se objeto de interesse de t??cnicos de saneamento e de estudantes de engenharia e arquitetura de institui????es p??blicas e privadas, que receberam treinamento a fim de conhec??-lo e utiliz??-lo. Finalmente, o sucesso da experi??ncia tem contribu??do para a dissemina????o da cultura de computa????o gr??fica e a ades??o dos profissionais da FNS e das autarquias municipais conveniadas ?? nova tecnologia. Neste mesmo sentido, ressalta-se a utiliza????o de teodolitos eletr??nicos ??? conhecidos como Esta????o Total ??? para a gera????o de plantas topogr??ficas j?? em formato digital, para serem usadas pelo Sancad, com novos ganhos de qualidade e produtividade na elabora????o dos projetos de saneamento

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This work addresses the effects of catalyst deactivation and investigates methods to reduce their impact on the reactive distillation columns performance. The use of variable feed quality and reboil ratio are investigated using a rigorous dynamic model developed in gPROMS and applied to an illustrative example, i.e., the olefin metathesis system, wherein 2-pentene reacts to form 2-butene and 3-hexene. Three designs and different strategies on column energy supply to tackle catalyst deactivation are investigated and the results compared.

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This paper presents the development of a solar photovoltaic (PV) model based on PSCAD/EMTDC - Power System Computer Aided Design – including a mathematical model study. An additional algorithm has been implemented in MATLAB software in order to calculate several parameters required by the PSCAD developed model. All the simulation study has been performed in PSCAD/MATLAB software simulation tool. A real data base concerning irradiance, cell temperature and PV power generation was used in order to support the evaluation of the implemented PV model.

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This chapter presents some of the issues with holonic manufacturing systems. It starts by presenting the current manufacturing scenario and trends and then provides some background information on the holonic concept and its application to manufacturing. The current limitations and future trends of manufacturing suggest more autonomous and distributed organisations for manufacturing systems; holonic manufacturing systems are proposed as a way to achieve such autonomy and decentralisation. After a brief literature survey a specific research work is presented to handle scheduling in holonic manufacturing systems. This work is based on task and resource holons that cooperate with each other based on a variant of the contract net protocol that allow the propagation of constraints between operations in the execution plan. The chapter ends by presenting some challenges and future opportunities of research.

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Liver steatosis is a common disease usually associated with social and genetic factors. Early detection and quantification is important since it can evolve to cirrhosis. Steatosis is usually a diffuse liver disease, since it is globally affected. However, steatosis can also be focal affecting only some foci difficult to discriminate. In both cases, steatosis is detected by laboratorial analysis and visual inspection of ultrasound images of the hepatic parenchyma. Liver biopsy is the most accurate diagnostic method but its invasive nature suggest the use of other non-invasive methods, while visual inspection of the ultrasound images is subjective and prone to error. In this paper a new Computer Aided Diagnosis (CAD) system for steatosis classification and analysis is presented, where the Bayes Factor, obatined from objective intensity and textural features extracted from US images of the liver, is computed in a local or global basis. The main goal is to provide the physician with an application to make it faster and accurate the diagnosis and quantification of steatosis, namely in a screening approach. The results showed an overall accuracy of 93.54% with a sensibility of 95.83% and 85.71% for normal and steatosis class, respectively. The proposed CAD system seemed suitable as a graphical display for steatosis classification and comparison with some of the most recent works in the literature is also presented.

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E-Learning frameworks are conceptual tools to organize networks of elearning services. Most frameworks cover areas that go beyond the scope of e-learning, from course to financial management, and neglects the typical activities in everyday life of teachers and students at schools such as the creation, delivery, resolution and evaluation of assignments. This paper presents the Ensemble framework - an e-learning framework exclusively focused on the teaching-learning process through the coordination of pedagogical services. The framework presents an abstract data, integration and evaluation model based on content and communications specifications. These specifications must base the implementation of networks in specialized domains with complex evaluations. In this paper we specialize the framework for two domains with complex evaluation: computer programming and computer-aided design (CAD). For each domain we highlight two Ensemble hotspots: data and evaluations procedures. In the former we formally describe the exercise and present possible extensions. In the latter, we describe the automatic evaluation procedures.

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This paper reports on the creation of an interface for 3D virtual environments, computer-aided design applications or computer games. Standard computer interfaces are bound to 2D surfaces, e.g., computer mouses, keyboards, touch pads or touch screens. The Smart Object is intended to provide the user with a 3D interface by using sensors that register movement (inertial measurement unit), touch (touch screen) and voice (microphone). The design and development process as well as the tests and results are presented in this paper. The Smart Object was developed by a team of four third-year engineering students from diverse scientific backgrounds and nationalities during one semester.

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The goal of this project, one of the proposals of the EPS@ISEP 2014 Spring, was to develop an Aquaponics System. Over recent years Aquaponics systems have received increased attention due to its possibilities in helping reduce strain on resources within 1st and 3rd world countries. Aquaponics is the combination of Hydroponics and Aquaculture and mimics a natural environment in order to successfully apply and enhance the understanding of natural cycles within an indoor process. By using this knowledge of natural cycles it was possible to create a system with the capabilities similar to that of a natural environment with the benefits of electronic adaptions to enhance the overall efficiency of the system. The multinational team involved in its development was composed of five students, from five countries and fields of study. This paper covers their solution, involving overall design, the technology involved and the benefits it could bring to the current market. The team was able to achieve the final rendered Computer Aided Design (CAD) drawings, successfully performed all the electronic testing, and designed a solution under budget. Furthermore, the solution presented was deeply studied from the sustainability viewpoint and the team also developed a product specific marketing plan. Finally, the students involved in this project obtained new knowledge and skills.