In this thesis structural optimization of castings and thermomechanical analysis of castings are studied. In paper I an optimization algorithm is created by using Matlab. The algorithm is linked to the commercial FE solver Abaqus by using Python script. The optimization algorithm uses the successive response surfaces methodology (SRSM) to create global response surfaces. It is shown that including residual stresses in structural optimization of castings yields an optimal shape that differs significantly from the one obtained when residual stresses are excluded. In paper II the optimization algorithm is expanded to using neural networks. It is tested on some typical bench mark problems and shows very promising results. Combining paper I and II the response surfaces can be either analytical functions, both linear and non-linear, or neural networks. The optimization is then performed by using sequential linear programming or by using a zero-order method called Complex. This is all gathered in a package called StuG-OPT. In paper III and IV focus is on the thermomechanical problem when residual stresses are calculated. In paper III a literature review is performed and some numerical simulations are performed to see where numerical simulations can be used in the industry today. In paper IV simulations are compared to real tests. Several stress lattices are casted and the residual stresses are measured. Simulations are performed by using Magmasoft and Abaqus. In Magmasoft a J2-plasticity model is used and in Abaqus two simulations are performed using either J2-plasticity or the ”Cast Iron Plasticity” available in Abaqus that takes into account the different behavior in tension and compression for grey cast iron. / <p>Report code: LIU-TEK-LIC-2007:34.</p>

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Metamodeling is a very popular approach for the approximation of complex systems. Metamodeling techniques can be categorized according to the type of regression method employed as linear and nonlinear models. The Response Surface Methodology (RSM) is an example of linear regression. In classical RSM metamodels, parameters are estimated using the Least Squares (LS) Method. Robust regression techniques, such as Least Absolute Deviation (LAD) and M-regression, are also considered in this study due to the outliers existing in data sets. Artificial Neural Networks (ANN) and Multivariate Adaptive Regression Splines (MARS) are examples for non-linear regression technique. In this thesis these two nonlinear metamodeling techniques are constructed and their performances are compared with the performances of linear models.

<p>In this thesis structural optimization of castings and thermomechanical analysis of castings are studied.</p><p>In paper I an optimization algorithm is created by using Matlab. The algorithm is linked to the commercial FE solver Abaqus by using Python script. The optimization algorithm uses the successive response surfaces methodology (SRSM) to create global response surfaces. It is shown that including residual stresses in structural optimization of castings yields an optimal shape that differs significantly from the one obtained when residual stresses are excluded.</p><p>In paper II the optimization algorithm is expanded to using neural networks. It is tested on some typical bench mark problems and shows very promising results. Combining paper I and II the response surfaces can be either analytical functions, both linear and non-linear, or neural networks. The optimization is then performed by using sequential linear programming or by using a zero-order method called Complex. This is all gathered in a package called StuG-OPT.</p><p>In paper III and IV focus is on the thermomechanical problem when residual stresses are calculated. In paper III a literature review is performed and some numerical simulations are performed to see where numerical simulations can be used in the industry today. In paper IV simulations are compared to real tests. Several stress lattices are casted and the residual stresses are measured. Simulations are performed by using Magmasoft and Abaqus. In Magmasoft a J2-plasticity model is used and in Abaqus two simulations are performed using either J2-plasticity or the ”Cast Iron Plasticity” available in Abaqus that takes into account the different behavior in tension and compression for grey cast iron.</p> / Report code: LIU-TEK-LIC-2007:34.

This study was concerned with the most common reverse flow type of cyclones where the flow enters the cyclone through a tangential inlet and leaves via an axial outlet pipe at the top of the cyclone. Numerical computations of two different cyclones were based on the so-called Stairmand cyclone. The difference in geometry between these two cyclones was basically characterized by the geometrical swirl number Sg of 3.5 and 4. Turbulent secondary flows inside a straight square channel have been studied numerically by using Large Eddy Simulation (LES) in order to verify the implementation process. Prandtl’s secondary motion calculated by LES shows satisfying agreement with both, Direct Numerical Simulation (DNS) and experimental results. Numerical calculations were carried out at various axial positions and at the apex cone of a gas cyclone separator. Two different NS-solvers (a commercial one, and a research code), based on a pressure correction algorithm of the SIMPLE method have been applied to predict the flow behavior. The flow was assumed as unsteady, incompressible and isothermal. A k − epsilon turbulence model has been applied first using the commercial code to investigate the gas flow. Due to the nature of cyclone flows, which exhibit highly curved streamlines and anisotropic turbulence, advanced turbulence models such as RSM (Reynolds Stress Model) and LES (Large Eddy Simulation) have been used as well. The RSM simulation was performed using the commercial package CFX4.4, while for the LES calculations the research code MISTRAL/PartFlow-3D code developed in our multiphase research group has been applied utilizing the Smagorinsky model. It was found that the k − epsilon model cannot predict flow phenomena inside the cyclone properly due to the strong curvature of the streamlines. The RSM results are comparable with LES results in the area of the apex cone plane. However, the application of the LES reveals qualitative agreement with the experimental data, but requires higher computer capacity and longer running times than RSM. These calculations of the continuous phase flow were the basis for modeling the behavior of the solid particles in the cyclone separator. Particle trajectories, pressure drop and the cyclone separation efficiency have been studied in some detail. This thesis is organized into five chapters. After an introduction and overview, chapter 2 deals with continuous phase flow turbulence modeling including the governing equations. The emphasis will be based on LES modelling. Furthermore, the disperse phase motion is treated in chapter 3. In chapter 4, the validation process of LES implementation with channel flow is presented. Moreover, prediction profiles of the gas flow are presented and discussed. In addition, disperse phase flow results are presented and discussed such as particle trajectories; pressure drop and cyclone separation efficiency are also discussed. Chapter 5 summarizes and concludes the thesis.

Conditional auto-regressive (CAR) models are frequently used with spatial data. However, the likelihood of such a model is expensive to compute even for a moderately sized data set of around 1000 sites. For models involving latent variables, the likelihood is not usually available in closed form. In this thesis we use a Monte Carlo approximation to the likelihood (extending the approach of Geyer and Thompson (1992)), and develop two strategies for maximising this. One strategy is to limit the step size by defining an experimental region using a Monte Carlo approximation to the variance of the estimates. The other is to use response surface methodology. The iterative procedures are fully automatic, with user-specified options to control the simulation and convergence criteria. Both strategies are implemented in our R package mclcar. We demonstrate aspects of the algorithms on simulated data on a torus, and achieve similar results to others in a short computational time on two datasets from the literature. We then use the methods on a challenging problem concerning forest restoration with data from around 7000 trees arranged in transects within study plots. We modelled the growth rate of the trees by a linear mixed effects model with CAR spatial error and CAR random e ects for study plots in an acceptable computational time. Our proposed methods can be used for similar models to provide a clearly defined framework for maximising Monte Carlo approximations to likelihoods and reconstructing likelihood surfaces near the maximum.

Neste trabalho, duas preparações de lipase imobilizada (EC 3.1.1.3), tipo B (CALB) de Candida antarctica, foram comparadas como biocatalisadores na síntese de ésteres metílicos. CALB imobilizada comercialmente (Novozym 435 - CALB-435) e CALB imobilizada em esferas de estireno-divinilbenzeno (CALB-MCI) foram testadas para as reações de transesterificação. Um delineamento composto central rotacional (DDCR) e metodologia de superfície de resposta (MSR) foram utilizados para otimizar a relação razão molar álcool:óleo, teor de enzimas, e a água adicionada nas reações. As duas preparações de enzimas mostraram diferentes condições ótimas para a produção de ésteres metílicos, com a taxa inicial da reação de 51,47 mmol L-1 h-1 para CALB-435, e 57 mmol L-1 h-1 para CALB-MCI. O estudo do tempo de reação indicou que em 72 h foi possível obter conversões próximas a 100 % para ambos os derivados. Um alto rendimento de conversão foi obtido sob as condições otimizadas, indicando que a RSM pode ser usada para descrever adequadamente a relação entre os parâmetros de reação e da resposta (teor de ésteres metílicos). Sobre a estabilidade operacional durante as experiências de reutilização, ambos preparados enzimáticos mantiveram 70 % de sua atividade inicial após oito bateladas, sugerindo sua aplicabilidade na produção de biodiesel. / In this work two preparations of immobilized lipase (EC 3.1.1.3), type B (CALB) from Candida antarctica, were compared as biocatalysts in the synthesis of esters. Commercial Novozym 435 (CALB-435) and CALB immobilized on styrene-divinylbenzene beads (CALB-MCI) were tested for the transesterification reactions. Central composite design rotational (DCCR) and response surface methodology (RSM) were used to optimize the substrate molar ratio, enzyme content, and the added water. The two enzyme preparations have shown different optimal conditions for the production of methyl esters, with initial rates of reaction 51.47 mmol L-1 h-1 for CALB-435, and 57 mmol L-1 h-1 for CALB-MCI. The study of reaction time indicated that in 72 h it was possible to obtain conversions close to 100 % for both derivatives. A high yield conversion was obtained under the optimized conditions, indicating that RSM can be used to adequately describe the relationship between the reaction parameters and the response (yield conversion) in lipase-catalyzed biodiesel synthesis. Over the operational stability during experiments of batch reuse, both prepared enzymatic maintained 70 % of their initial activity after eight batches, suggesting their potential for economical application on biodiesel production.

Neste trabalho, duas preparações de lipase imobilizada (EC 3.1.1.3), tipo B (CALB) de Candida antarctica, foram comparadas como biocatalisadores na síntese de ésteres metílicos. CALB imobilizada comercialmente (Novozym 435 - CALB-435) e CALB imobilizada em esferas de estireno-divinilbenzeno (CALB-MCI) foram testadas para as reações de transesterificação. Um delineamento composto central rotacional (DDCR) e metodologia de superfície de resposta (MSR) foram utilizados para otimizar a relação razão molar álcool:óleo, teor de enzimas, e a água adicionada nas reações. As duas preparações de enzimas mostraram diferentes condições ótimas para a produção de ésteres metílicos, com a taxa inicial da reação de 51,47 mmol L-1 h-1 para CALB-435, e 57 mmol L-1 h-1 para CALB-MCI. O estudo do tempo de reação indicou que em 72 h foi possível obter conversões próximas a 100 % para ambos os derivados. Um alto rendimento de conversão foi obtido sob as condições otimizadas, indicando que a RSM pode ser usada para descrever adequadamente a relação entre os parâmetros de reação e da resposta (teor de ésteres metílicos). Sobre a estabilidade operacional durante as experiências de reutilização, ambos preparados enzimáticos mantiveram 70 % de sua atividade inicial após oito bateladas, sugerindo sua aplicabilidade na produção de biodiesel. / In this work two preparations of immobilized lipase (EC 3.1.1.3), type B (CALB) from Candida antarctica, were compared as biocatalysts in the synthesis of esters. Commercial Novozym 435 (CALB-435) and CALB immobilized on styrene-divinylbenzene beads (CALB-MCI) were tested for the transesterification reactions. Central composite design rotational (DCCR) and response surface methodology (RSM) were used to optimize the substrate molar ratio, enzyme content, and the added water. The two enzyme preparations have shown different optimal conditions for the production of methyl esters, with initial rates of reaction 51.47 mmol L-1 h-1 for CALB-435, and 57 mmol L-1 h-1 for CALB-MCI. The study of reaction time indicated that in 72 h it was possible to obtain conversions close to 100 % for both derivatives. A high yield conversion was obtained under the optimized conditions, indicating that RSM can be used to adequately describe the relationship between the reaction parameters and the response (yield conversion) in lipase-catalyzed biodiesel synthesis. Over the operational stability during experiments of batch reuse, both prepared enzymatic maintained 70 % of their initial activity after eight batches, suggesting their potential for economical application on biodiesel production.

Neste trabalho, duas preparações de lipase imobilizada (EC 3.1.1.3), tipo B (CALB) de Candida antarctica, foram comparadas como biocatalisadores na síntese de ésteres metílicos. CALB imobilizada comercialmente (Novozym 435 - CALB-435) e CALB imobilizada em esferas de estireno-divinilbenzeno (CALB-MCI) foram testadas para as reações de transesterificação. Um delineamento composto central rotacional (DDCR) e metodologia de superfície de resposta (MSR) foram utilizados para otimizar a relação razão molar álcool:óleo, teor de enzimas, e a água adicionada nas reações. As duas preparações de enzimas mostraram diferentes condições ótimas para a produção de ésteres metílicos, com a taxa inicial da reação de 51,47 mmol L-1 h-1 para CALB-435, e 57 mmol L-1 h-1 para CALB-MCI. O estudo do tempo de reação indicou que em 72 h foi possível obter conversões próximas a 100 % para ambos os derivados. Um alto rendimento de conversão foi obtido sob as condições otimizadas, indicando que a RSM pode ser usada para descrever adequadamente a relação entre os parâmetros de reação e da resposta (teor de ésteres metílicos). Sobre a estabilidade operacional durante as experiências de reutilização, ambos preparados enzimáticos mantiveram 70 % de sua atividade inicial após oito bateladas, sugerindo sua aplicabilidade na produção de biodiesel. / In this work two preparations of immobilized lipase (EC 3.1.1.3), type B (CALB) from Candida antarctica, were compared as biocatalysts in the synthesis of esters. Commercial Novozym 435 (CALB-435) and CALB immobilized on styrene-divinylbenzene beads (CALB-MCI) were tested for the transesterification reactions. Central composite design rotational (DCCR) and response surface methodology (RSM) were used to optimize the substrate molar ratio, enzyme content, and the added water. The two enzyme preparations have shown different optimal conditions for the production of methyl esters, with initial rates of reaction 51.47 mmol L-1 h-1 for CALB-435, and 57 mmol L-1 h-1 for CALB-MCI. The study of reaction time indicated that in 72 h it was possible to obtain conversions close to 100 % for both derivatives. A high yield conversion was obtained under the optimized conditions, indicating that RSM can be used to adequately describe the relationship between the reaction parameters and the response (yield conversion) in lipase-catalyzed biodiesel synthesis. Over the operational stability during experiments of batch reuse, both prepared enzymatic maintained 70 % of their initial activity after eight batches, suggesting their potential for economical application on biodiesel production.

Mudanças econômicas e hábitos alimentares incorretos estão contribuindo para maior ingestão calórica nas populações dos centros urbanos. Intensificam-se as pesquisas para a obtenção de ingredientes com menor valor calórico. Neste trabalho, foram avaliados os efeitos da Polidextrose (Litesse®II), Salatrim (Benefat®) e Sucralose (Splenda®) em substituição à gordura hidrogenada e sacarose em formulação de pão para hambúrguer. Avaliou-se a dureza, volume, umidade, cor e valor calórico pela Metodologia da Superfície de Resposta (MSR). Os resultados mostraram que os ingredientes utilizados sugerem grande potencial para o desenvolvimento de produtos panificados com valor energético reduzido, e a sobreposição das superfícies permitiu obtenção de formulações otimizadas. / Economic changes and incorrect nutrition habits are causing more calories ingestion in the populations of the urban centers. Substitution of fat and sugar on diet has being object of intense research in the attempt to producing foods without these ingredients or with reduction of amount normally used. In this work the effect of the Polidextrose (Litesse® II), Salatrim (Benefat®) and Sucralose (Splenda®) had been tested in substitution to the hydrogenated fat and sucrose in hamburger buns formulas. It was evaluated firmness, volume, moisture, color and caloric value using Response Surface Methodology (RSM). The results showed that the used ingredients suggest great potential for the development of bakery products with reduced energy value. Surfaces intersections allowed to obtain optimized bread formulas.