Avaliação de conflitos de usos múltiplos de água na bacia hidrográfica do Rio Jaguari - SP, através de simulação computacional

No gerenciamento de recursos hídricos, a bacia hidrográfica é considerada a unidade natural de gestão. Suas características físicas definem um espaço onde a água converge para uma saída comum. O desenvolvimento integrado de uma bacia, bem como os possíveis conflitos ocasionados por demandas concorrentes do mesmo recurso, devem ser administrados respeitando esse conceito de unidade. No caso específico da bacia hidrográfica do Rio Jaguari, existe uma crescente preocupação relacionada aos usos múltiplos da água superficial. O rio Jaguari, importante afluente do Paraíba do Sul no estado de São Paulo, tem suas águas represadas para geração de energia elétrica e regularização de vazões. Nos últimos anos, tem-se constatado um crescente rebaixamento dos níveis operacionais da represa do Jaguari. Segundo estudos da sociedade civil organizada local, a tendência é de esgotamento do reservatório em poucos anos. Este trabalho aborda a questão do rebaixamento dos níveis de Jaguari através da aplicação do software DHI Mike Basin 2000. Trata-se de um simulador genérico para sistemas de recursos hídricos, de ampla aplicação. A bacia do Jaguari é representada em um modelo matemático e são simulados quatro cenários distintos de usos de água na bacia. Verifica-se que o problema é real e requer uma intervenção multi-institucional para ser solucionado.

Avaliação da quantidade e qualidade dos recursos hídricos superficiais da bacia hidrográfica do rio Sapucaí-Mirim (SP) através do simulador computacional Mike Basin

Fundamental a vida e ao desenvolvimento de qualquer sociedade, a água é um bem precioso e limitado que está se esgotando e sendo motivo de preocupação mundial. O desperdício, a distribuição desigual, o aumento do consumo e a degradação da qualidade da água são motivos que a tornaram escassa e trouxeram à tona a importância do planejamento e gerenciamento dos recursos hídricos. Frente a esta situação, este trabalho buscou avaliar a disponibilidade hídrica quantitativa e qualitativa da bacia hidrográfica do rio Sapucaí-Mirim, SP. Através da aplicação do simulador hidrológico MIKE BASIN, foi analisado o desempenho do sistema de recursos hídricos, o conflito existente entre os usos múltiplos e a concentração dos parâmetros OD e DBO nas águas do rio que recebe efluentes domésticos, muitos deles sem nenhum tratamento. Apesar da quantidade de água ser suficiente para atender às demandas, o estudo mostra que a geração de energia elétrica está comprometida e a água está se esgotando qualitativamente, evidenciando a necessidade e urgência de se implantar estações de tratamento de esgoto.

Simulação computacional de sistemas de registro de imagens mamográficas

Neste projeto foi desenvolvido um método computacional para verificação da melhor combinação tela intensificadora - filme para exames mamográficos através do estudo de suas características sensitométricas. O software, desenvolvido em ambiente Delphi para windows, apresenta na tela do microcomputador a imagem a ser obtida para cada tipo de combinação tela intensificadora - filme, utilizando imagens de \"Phantoms\" e de mamas reais. Em razão da ampla quantidade de fatores que influenciam a imagem mamográfica final, tais como magnificação, característica dos filmes e telas intensificadoras e condições da processadora, o método proposto pode proporcionar uma ampla avaliação da qualidade dos sistemas de imagem mamográfica de uma forma simples, rápida e automática, através de procedimentos de simulação computacional. A simulação investigou a influência que um determinado sistema de registro exerce sobre a qualidade da imagem, possibilitando conhecer previamente a imagem final a ser obtida com diferentes equipamentos e sistemas de registro. Dentre os sistemas investigados, três filmes (Kodak Min R 2000, Fuji UM MA-HC e Fuji ADM) e duas telas intensificadoras (Kodak Min R 2000 e Fuji AD Mammo Fine), aquele que apresentou melhores resultados, com melhor qualidade de imagens e menor exposição à paciente foi o de tela Min R 2000 com filme Min R 2000 da Kodak.

Método para análise da interação fluido-estrutura em travessas do pré-distribuidor de turbinas hidráulicas.

Um dos grandes desafios enfrentados pelos fabricantes de turbinas hidráulicas é prevenir o aparecimento de vibrações induzidas pelo escoamento nas travessas do pré-distribuidor e pás do rotor. Considerando apenas as travessas, e atribuídos a tais vibrações, foram relatados 28 casos de trincas ou ruídos anormais nas últimas décadas, que acarretaram enormes prejuízos associados a reparos, atrasos e perda de geração. O estado da arte na prevenção destes problemas baseia-se na utilização de sofisticados, e caros, programas comerciais de dinâmica dos fluidos computacional para o cálculo transiente do fenômeno. Este trabalho faz uma ampla revisão bibliográfica e levantamento de eventos de trincas ou ruídos ocorridos em travessas nos últimos 50 anos. Propõe, então, um enfoque alternativo, baseado exclusivamente em ferramentas de código aberto. A partir de hipóteses simplificadoras devidamente justificadas, o problema é formulado matematicamente de forma bidimensional, no plano da seção transversal da travessa, levando em conta a interação fluido-estrutura. Nesta estratégia, as equações de Navier-Stokes são resolvidas pelo método dos elementos finitos por meio da biblioteca gratuita oomph-lib. Um código especial em C++ é desenvolvido para o problema de interação fluido-estrutura, no qual o fenômeno de turbulência é levado em consideração por meio de um algoritmo baseado no modelo de Baldwin-Lomax. O método proposto é validado por meio da comparação dos resultados obtidos com referências e medições disponíveis na literatura, que tratam de problemas de barras retangulares suportadas elasticamente. O trabalho finaliza com a aplicação do método a um estudo de caso envolvendo uma travessa particular.

Reciprocidade periférica como estratégia para aumento de centralidade: estudo de rede de citações acadêmicas

Esta tese apresenta uma configuração em que, numa rede social regida pelo princípio da ligação preferencial, nós periféricos buscam inflacionar artificialmente seus índices de centralidade, medida pelo grau de entrada, por meio do privilégio temporário da reciprocidade de ligações com outros nós periféricos. Para construir este cenário, criou-se uma rede com as características de uma rede acadêmica de citações entre artigos, em que os nós são artigos publicados por um conjunto de periódicos, e as ligações entre eles são as citações que cada artigo faz a outros artigos existentes. Esta rede foi condensada em outra, na qual os nós são os periódicos aos quais cada artigo da primeira rede está associado, e as ligações são o total de citações que os artigos de um periódico faz aos artigos de cada outro periódico. Implementou-se um método de simulação computacional, no qual, durante alguns ciclos, foram manipulados parâmetros relacionados à quantidade total de ligações (citações) entre periódicos periféricos, de forma a induzir os efeitos desejados de reciprocidade periférica, alterando a lógica de direcionamento de citações pela atribuição de maior probabilidade para que artigos de outros periódicos periféricos recebessem ligações, afastando-se da lógica da ligação preferencial, porém sem alterar qualquer outra característica intrínseca que representasse a capacidade de um artigo ou periódico atrair novas ligações. Chamou-se esta alteração da lógica de alocação de ligações entre periódicos periféricos de Comportamento Estratégico. Observou-se que o Comportamento Estratégico é capaz de trazer benefícios de centralidade medida por grau para aqueles periódicos em que ele foi induzido, e prejuízos para os demais periódicos periféricos, porém não é suficiente para que eles saiam do quartil periférico de centralidade a que pertenciam antes da manipulação dos efeitos. Além disso, observou-se que, na ausência de elementos que alterem a capacidade intrínseca de atração de ligações de um periódico, a interrupção do Comportamento Estratégico levou aos níveis anteriores de centralidade. Também se observou que o Comportamento Estratégico acarretou em alterações de centralidade medida por autovetor estatisticamente significativas, porém não esperadas, mas que, após sua interrupção, esta retornou aos patamares anteriores à indução dos efeitos.

A utilização da pesquisa operacional para o gerenciamento dos leitos em um hospital particular: estudo de caso baseado em simulação computacional

The hospital is a place of complex actions, where several activities for serving the population are performed such as: medical appointments, exams, surgeries, emergency care, admission in wards and ICUs. These activities are mixed with anxiety, impatience, despair and distress of patients and their families, issues involving emotional balance both for professionals who provide services for them as for people cared by them. The healthcare crisis in Brazil is getting worse every year and today, constitutes a major problem for private hospitals. The patient that comes to emergencies progressively increase, and in contrast, there is no supply of hospital beds in the same proportion, causing overcrowding, declines in the quality of care delivered to patients, drain of professionals of the health area and difficulty in management the beds. This work presents a study that seeks to create an alternative tool that can contribute to the management of a private hospital beds. It also seeks to identify potential issues or deficiencies and therefore make changes in flow for an increase in service capacity, thus reducing costs without compromising the quality of services provided. The tool used was the Computational Simulation –based in discrete event, which aims to identify the main parameters to be considered for a proper modeling of this system. This study took as reference the admission of a private hospital, based on the current scenario, where your apartments are in saturation level as its occupancy rate. The relocation of project beds aims to meet the growing demand for surgeries and hospital admissions observed by the current administration.

Modelagem molecular voltada para a construção de um nanobiossensor para detecção do herbicida Imazaquin

In this study, our goal was develop and describe a molecular model of the enzyme-inhibiting interaction which can be used for an optimized projection of a Microscope Force Atomic nanobiosensor to detect pesticides molecules, used in agriculture, to evaluate its accordance with limit levels stipulated in valid legislation for its use. The studied herbicide (imazaquin) is a typical member of imidazolinone family and is an inhibitor of the enzymatic activity of Acetohydroxiacid Synthase (AHAS) enzyme that is responsible for the first step of pathway for the synthesis of side-chains in amino acids. The analysis of this enzyme property in the presence of its cofactors was made to obtain structural information and charge distribution of the molecular surface to evaluate its capacity of became immobilized on the Microscopy Atomic Force tip. The computational simulation of the system, using Molecular Dynamics, was possible with the force-field parameters for the cofactor and the herbicides obtained by the online tool SwissParam and it was implemented in force-field CHARMM27, used by software GROMACS; then appropriated simulations were made to validate the new parameters. The molecular orientation of the AHAS was defined based on electrostatic map and the availability of the herbicide in the active site. Steered Molecular Dynamics (SMD) Simulations, followed by quantum mechanics calculations for more representative frames, according to the sequential QM/MM methodology, in a specific direction of extraction of the herbicide from the active site. Therefore, external harmonic forces were applied with similar force constants of AFM cantilever for to simulate herbicide detection experiments by the proposed nanobiosensor. Force value of 1391 pN and binding energy of -14048.52 kJ mol-1 were calculated.

Proposta de método para avaliação do desempenho térmico de residências unifamiliares em clima quente e úmido

Nowadays, evaluation methods to measure thermal performance of buildings have been developed in order to improve thermal comfort in buildings and reduce the use of energy with active cooling and heating systems. However, in developed countries, the criteria used in rating systems to asses the thermal and energy performance of buildings have demonstrated some limitations when applied to naturally ventilated building in tropical climates. The present research has as its main objective to propose a method to evaluate the thermal performance of low-rise residential buildings in warm humid climates, through computational simulation. The method was developed in order to conceive a suitable rating system for the athermal performance assessment of such buildings using as criteria the indoor air temperature and a thermal comfort adaptive model. The research made use of the software VisualDOE 4.1 in two simulations runs of a base case modeled for two basic types of occupancies: living room and bedroom. In the first simulation run, sensitive analyses were made to identify the variables with the higher impact over the cases´ thermal performance. Besides that, the results also allowed the formulation of design recommendations to warm humid climates toward an improvement on the thermal performance of residential building in similar situations. The results of the second simulation run was used to identify the named Thermal Performance Spectrum (TPS) of both occupancies types, which reflect the variations on the thermal performance considering the local climate, building typology, chosen construction material and studied occupancies. This analysis generates an index named IDTR Thermal Performance Resultant Index, which was configured as a thermal performance rating system. It correlates the thermal performance with the number of hours that the indoor air temperature was on each of the six thermal comfort bands pre-defined that received weights to measure the discomfort intensity. The use of this rating system showed to be appropriated when used in one of the simulated cases, presenting advantages in relation to other evaluation methods and becoming a tool for the understanding of building thermal behavior

Análise de métodos para aplicação de ventilação natural em projetos de edificações em Natal-RN

Natural ventilation is an efficient bioclimatic strategy, one that provides thermal comfort, healthful and cooling to the edification. However, the disregard for quality environment, the uncertainties involved in the phenomenon and the popularization of artificial climate systems are held as an excuse for those who neglect the benefits of passive cooling. The unfamiliarity with the concept may be lessened if ventilation is observed in every step of the project, especially in the initial phase in which decisions bear a great impact in the construction process. The tools available in order to quantify the impact of projected decisions consist basically of the renovation rate calculations or computer simulations of fluids, commonly dubbed CFD, which stands for Computational Fluid Dynamics , both somewhat apart from the project s execution and unable to adapt for use in parametric studies. Thus, we chose to verify, through computer simulation, the representativeness of the results with a method of simplified air reconditioning rate calculation, as well as making it more compatible with the questions relevant to the first phases of the project s process. The case object consists of a model resulting from the recommendations of the Código de Obras de Natal/ RN, customized according to the NBR 15220. The study has shown the complexity in aggregating a CFD tool to the process and the need for a method capable of generating data at the compatible rate to the flow of ideas and are discarded during the project s development. At the end of our study, we discuss the necessary concessions for the realization of simulations, the applicability and the limitations of both the tools used and the method adopted, as well as the representativeness of the results obtained

Simulação computacional como ferramenta de auxílio ao projeto: aplicação em edifícios naturalmente ventilados no clima de Natal/RN

Natural air ventilation is the most import passive strategy to provide thermal comfort in hot and humid climates and a significant low energy strategy. However, the natural ventilated building requires more attention with the architectural design than a conventional building with air conditioning systems, and the results are less reliable. Therefore, this thesis focuses on softwares and methods to predict the natural ventilation performance from the point of view of the architect, with limited resource and knowledge of fluid mechanics. A typical prefabricated building was modelled due to its simplified geometry, low cost and occurrence at the local campus. Firstly, the study emphasized the use of computational fluid dynamics (CFD) software, to simulate the air flow outside and inside the building. A series of approaches were developed to make the simulations possible, compromising the results fidelity. Secondly, the results of CFD simulations were used as the input of an energy tool, to simulate the thermal performance under different rates of air renew. Thirdly, the results of temperature were assessed in terms of thermal comfort. Complementary simulations were carried out to detail the analyses. The results show the potentialities of these tools. However the discussions concerning the simplifications of the approaches, the limitations of the tools and the level of knowledge of the average architect are the major contribution of this study

Proposta de método para avaliação do desempenho térmico de residências unifamiliares em clima quente e úmido

Nowadays, evaluation methods to measure thermal performance of buildings have been developed in order to improve thermal comfort in buildings and reduce the use of energy with active cooling and heating systems. However, in developed countries, the criteria used in rating systems to asses the thermal and energy performance of buildings have demonstrated some limitations when applied to naturally ventilated building in tropical climates. The present research has as its main objective to propose a method to evaluate the thermal performance of low-rise residential buildings in warm humid climates, through computational simulation. The method was developed in order to conceive a suitable rating system for the athermal performance assessment of such buildings using as criteria the indoor air temperature and a thermal comfort adaptive model. The research made use of the software VisualDOE 4.1 in two simulations runs of a base case modeled for two basic types of occupancies: living room and bedroom. In the first simulation run, sensitive analyses were made to identify the variables with the higher impact over the cases´ thermal performance. Besides that, the results also allowed the formulation of design recommendations to warm humid climates toward an improvement on the thermal performance of residential building in similar situations. The results of the second simulation run was used to identify the named Thermal Performance Spectrum (TPS) of both occupancies types, which reflect the variations on the thermal performance considering the local climate, building typology, chosen construction material and studied occupancies. This analysis generates an index named IDTR Thermal Performance Resultant Index, which was configured as a thermal performance rating system. It correlates the thermal performance with the number of hours that the indoor air temperature was on each of the six thermal comfort bands pre-defined that received weights to measure the discomfort intensity. The use of this rating system showed to be appropriated when used in one of the simulated cases, presenting advantages in relation to other evaluation methods and becoming a tool for the understanding of building thermal behavior

Análise de métodos para aplicação de ventilação natural em projetos de edificações em Natal-RN

Natural ventilation is an efficient bioclimatic strategy, one that provides thermal comfort, healthful and cooling to the edification. However, the disregard for quality environment, the uncertainties involved in the phenomenon and the popularization of artificial climate systems are held as an excuse for those who neglect the benefits of passive cooling. The unfamiliarity with the concept may be lessened if ventilation is observed in every step of the project, especially in the initial phase in which decisions bear a great impact in the construction process. The tools available in order to quantify the impact of projected decisions consist basically of the renovation rate calculations or computer simulations of fluids, commonly dubbed CFD, which stands for Computational Fluid Dynamics , both somewhat apart from the project s execution and unable to adapt for use in parametric studies. Thus, we chose to verify, through computer simulation, the representativeness of the results with a method of simplified air reconditioning rate calculation, as well as making it more compatible with the questions relevant to the first phases of the project s process. The case object consists of a model resulting from the recommendations of the Código de Obras de Natal/ RN, customized according to the NBR 15220. The study has shown the complexity in aggregating a CFD tool to the process and the need for a method capable of generating data at the compatible rate to the flow of ideas and are discarded during the project s development. At the end of our study, we discuss the necessary concessions for the realization of simulations, the applicability and the limitations of both the tools used and the method adopted, as well as the representativeness of the results obtained

Simulação computacional como ferramenta de auxílio ao projeto: aplicação em edifícios naturalmente ventilados no clima de Natal/RN

Natural air ventilation is the most import passive strategy to provide thermal comfort in hot and humid climates and a significant low energy strategy. However, the natural ventilated building requires more attention with the architectural design than a conventional building with air conditioning systems, and the results are less reliable. Therefore, this thesis focuses on softwares and methods to predict the natural ventilation performance from the point of view of the architect, with limited resource and knowledge of fluid mechanics. A typical prefabricated building was modelled due to its simplified geometry, low cost and occurrence at the local campus. Firstly, the study emphasized the use of computational fluid dynamics (CFD) software, to simulate the air flow outside and inside the building. A series of approaches were developed to make the simulations possible, compromising the results fidelity. Secondly, the results of CFD simulations were used as the input of an energy tool, to simulate the thermal performance under different rates of air renew. Thirdly, the results of temperature were assessed in terms of thermal comfort. Complementary simulations were carried out to detail the analyses. The results show the potentialities of these tools. However the discussions concerning the simplifications of the approaches, the limitations of the tools and the level of knowledge of the average architect are the major contribution of this study

Time-dependent master equation simulation of complex elementary reactions in combustion: Application to the reaction of (CH2)-C-1 with C2H2 from 300-2000 K

Computational simulations of the title reaction are presented, covering a temperature range from 300 to 2000 K. At lower temperatures we find that initial formation of the cyclopropene complex by addition of methylene to acetylene is irreversible, as is the stabilisation process via collisional energy transfer. Product branching between propargyl and the stable isomers is predicted at 300 K as a function of pressure for the first time. At intermediate temperatures (1200 K), complex temporal evolution involving multiple steady states begins to emerge. At high temperatures (2000 K) the timescale for subsequent unimolecular decay of thermalized intermediates begins to impinge on the timescale for reaction of methylene, such that the rate of formation of propargyl product does not admit a simple analysis in terms of a single time-independent rate constant until the methylene supply becomes depleted. Likewise, at the elevated temperatures the thermalized intermediates cannot be regarded as irreversible product channels. Our solution algorithm involves spectral propagation of a symmetrised version of the discretized master equation matrix, and is implemented in a high precision environment which makes hitherto unachievable low-temperature modelling a reality.

Cell-based computational modeling of vascular morphogenesis using Tissue Simulation Toolkit.

Computational modeling has become a widely used tool for unraveling the mechanisms of higher level cooperative cell behavior during vascular morphogenesis. However, experimenting with published simulation models or adding new assumptions to those models can be daunting for novice and even for experienced computational scientists. Here, we present a step-by-step, practical tutorial for building cell-based simulations of vascular morphogenesis using the Tissue Simulation Toolkit (TST). The TST is a freely available, open-source C++ library for developing simulations with the two-dimensional cellular Potts model, a stochastic, agent-based framework to simulate collective cell behavior. We will show the basic use of the TST to simulate and experiment with published simulations of vascular network formation. Then, we will present step-by-step instructions and explanations for building a recent simulation model of tumor angiogenesis. Demonstrated mechanisms include cell-cell adhesion, chemotaxis, cell elongation, haptotaxis, and haptokinesis.