Monitoramento e identificação numérico e experimental de danos em vigas e pontes de aço e concreto utilizando transformadas de wavelet

Tese (doutorado)—Universidade de Brasília, Faculdade de Tecnologia, Departamento de Engenharia Civil e Ambiental, 2015.

Computational and experimental study of the behavior of cyano-based ionic liquids in aqueous solution

The solvation of cyano- (CN-) based ionic liquids (ILs) and their capacity to establish hydrogen bonds (H-bonds) with water was studied by means of experimental and computational approaches. Experimentally, water activity data were measured for aqueous solutions of ILs based on 1-butyl-3-methylimidazolium ([BMIM](+)) cation combined with one of the following anions: thiocyanate ([SCN](-)), dicyanamide ([DCA](-)), or tricyanomethanide ([TCM](-)), and of 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][TCB]). From the latter data, water activity coefficients were estimated showing that [BMIM][SCN] and [BMIM][DCA], unlike [BMIM][TCM] and [EMIM][TCB], are able to establish favorable interactions with water. Computationally, the conductor like screening model for real solvents (COSMO-RS) was used to estimate the water activity coefficients which compare well with the experimental ones. From the COSMO-RS results, it is suggested that the polarity of each ion composing the ILs has a strong effect on the solvation phenomena. Furthermore, classical molecular dynamics (MD) simulations were performed for obtaining an atomic level picture of the local molecular neighborhood of the different species. From the experimental and computational data it is showed that increasing the number of CN groups in the ILs' anions does not enhance their ability to establish H-bonds with water but decreases their polarities, being [BMIM][DCA] and [BMIM][SCN] the ones presenting higher propensity to interact.

Numerical and analytical study of an atherosclerosis inflammatory disease model

We study a reaction–diffusion mathematical model for the evolution of atherosclerosis as an inflammation process by combining analytical tools with computer-intensive numerical calculations. The computational work involved the calculation of more than sixty thousand solutions of the full reaction–diffusion system and lead to the complete characterisation of the ωω-limit for every initial condition. Qualitative properties of the solution are rigorously proved, some of them hinted at by the numerical study

Patterns of sedentary behavior : insights from observational and experimental studies on body composition and energy expenditure

It is recognized that sedentary behavior (SB) has deleterious effects on numerous health outcomes and it appears that physiological mechanisms underlying these harms are distinct from the ones explaining moderate-to-vigorous physical activity (MVPA) benefits. Sedentary behavior represents a large portion of human’s life and is increasing with technological development. A new current of opinion supports the idea that the manner SB is accumulated plays an important role. This dissertation presents six research studies conducted under the scope of SB. In the methodological area, the first study highlighted the magnitude of potential errors in estimating SB and its patterns from common alternative methods (accelerometer and heart rate monitor) compared to ActivPAL. This study presented the accelerometer as a valid method at a group level. Two studies (2 and 5) were performed in older adults (the most sedentary group in the population) to test the associations for SB patterns with abdominal obesity using accelerometry. The findings showed positive graded associations for prolonged sedentary bouts with abdominal obesity and showed that those who interrupted SB more frequently were less likely to present abdominal obesity. Therefore, public health recommendations regarding breaking up SB more often are expected to be relevant. The associations between sedentary patterns and abdominal obesity were independent of MVPA in older adults. However, the low MVPA in this group makes it unclear whether this independent relationship still exists if highly active persons are analysed. Study 3 inovates by examining the association of SB with body fatness in highly trained athletes and found SB to predict total fat mass and trunk fat mass, independently of age and weekly training time. Study 4 also brings novelty to this research field by quantifying the metabolic and energetic cost of the transition from sitting to standing and then sitting back down (a break), informing about the modest energetic costs (0.32 kcal·min−1). Finally, from a successful multicomponent pilot intervention to reduce and break up SB (study 6), an important behavioral resistance to make more sit/stand transitions despite successfully reducing sitting time (~ 1.85 hours·day-1) was found, which may be relevant to inform future behavioral modification programs. The present work provides observational and experimental evidence on the relation for SB patterns with body composition outcomes and energy regulation that may be relevant for public health interventions.

A non-conventional five piston double.-acting Stirling Engine filling system CFD simulation and experimental validation

Análisis mediante CFD y validación experimental de un sistema de carga para un motor Stirling. Validado y analizado experimentalmente en un motor de 5 pistones de doble acción.

Arsenic Geochemitry in Warm Spring Ponds: New Field and Experimental Results

Silver Bow Creek (SBC) flows into the Warm Springs Ponds Operable Unit (WSPOU), where various containment cells are used to precipitate copper and other metals (e.g., Cd, Cu, Mn, Pb, Zn). Lime is added seasonally to increase the pH and assist in removal of metals from the water column. Although the WSPOU is effective at removing copper and other cationic trace metals, concentrations of dissolved arsenic exiting the facility are often above the site specific standard, 20 20 ug/L, during low-flow periods each summer and fall. This thesis is a continuation of arsenic geochemistry studies by Montana Tech in the WSPOU. Field work focused on Pond 3, the largest and first in the series of treatment ponds. Shallow groundwater was sampled from 8 PVC piezometers located near the south end of Pond 3. Three sediment pore-water diffusion samplers (“peepers”) were also deployed at the south end of Pond 3 to examine vertical gradients in chemistry in the top 25 cm of the pond sediment. In general, the pH and Eh values of the shallow groundwater and sediment pore-water were less than in the pond water. Concentrations of arsenic were generally higher in subsurface water, and tended to pass through a maximum (up to 530 g/L) about 10 cm below the sediment-water interface. In the peeper cells, there was a strong positive correlation between dissolved As and dissolved Fe, and an inverse correlation with sulfate. Therefore, the zone of arsenic release corresponds to a zone of bacterial Fe and sulfate reduction in the shallow, organic-rich sediment. Redox speciation of arsenic shows that arsenate (As(V)) is dominant in the pond, and arsenite (As(III)) is dominant in the subsurface water. A series of laboratory experiments with pH adjustment were completed using SBC water collected near the inlet to the WSPOU as well as water and shallow sediment collected from Pond 3. Water ± sediment mesocosms were set up in 1-L Nalgene bottles (closed system) or a 20-L aquarium (open system), both with continuous stirring. The pH of the mesocosm was adjusted by addition of NaOH or HNO3 acid. The closed system provided better pH control since the water was not in contact with the atmosphere, which prevented exchange of carbon dioxide. In both the closed and open systems, dissolved arsenic concentrations either decreased or stayed roughly the same with increase in pH to values > 11. Therefore, the release of dissolved As into the treatment ponds in low-flow periods is not due to changes in pH alone. All of these results support the hypothesis that the arsenic release in WSPOU is linked to microbial reduction of ferric oxide minerals in the organic-rich sediment. Upwards diffusion of dissolved As from the sediment pore-water into the pond water is the most likely explanation for the increase in As concentration of the WSPOU in low-flow periods.

MODELING AND EXPERIMENTAL SETUP OF AN HCCI ENGINE

For the past three decades the automotive industry is facing two main conflicting challenges to improve fuel economy and meet emissions standards. This has driven the engineers and researchers around the world to develop engines and powertrain which can meet these two daunting challenges. Focusing on the internal combustion engines there are very few options to enhance their performance beyond the current standards without increasing the price considerably. The Homogeneous Charge Compression Ignition (HCCI) engine technology is one of the combustion techniques which has the potential to partially meet the current critical challenges including CAFE standards and stringent EPA emissions standards. HCCI works on very lean mixtures compared to current SI engines, resulting in very low combustion temperatures and ultra-low NOx emissions. These engines when controlled accurately result in ultra-low soot formation. On the other hand HCCI engines face a problem of high unburnt hydrocarbon and carbon monoxide emissions. This technology also faces acute combustion controls problem, which if not dealt properly with yields highly unfavorable operating conditions and exhaust emissions. This thesis contains two main parts. One part deals in developing an HCCI experimental setup and the other focusses on developing a grey box modelling technique to control HCCI exhaust gas emissions. The experimental part gives the complete details on modification made on the stock engine to run in HCCI mode. This part also comprises details and specifications of all the sensors, actuators and other auxiliary parts attached to the conventional SI engine in order to run and monitor the engine in SI mode and future SI-HCCI mode switching studies. In the latter part around 600 data points from two different HCCI setups for two different engines are studied. A grey-box model for emission prediction is developed. The grey box model is trained with the use of 75% data and the remaining data is used for validation purpose. An average of 70% increase in accuracy for predicting engine performance is found while using the grey-box over an empirical (black box) model during this study. The grey-box model provides a solution for the difficulty faced for real time control of an HCCI engine. The grey-box model in this thesis is the first study in literature to develop a control oriented model for predicting HCCI engine emissions for control.

Theoretical and experimental study on electron interactions with chlorobenzene: Shape resonances and differential cross sections

In this work, we report theoretical and experimental cross sections for elastic scattering of electrons by chlorobenzene (ClB). The theoretical integral and differential cross sections (DCSs) were obtained with the Schwinger multichannel method implemented with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR). The calculations with the SMCPP method were done in the static-exchange (SE) approximation, for energies above 12 eV, and in the static-exchange plus polarization approximation, for energies up to 12 eV. The calculations with the IAM-SCAR method covered energies up to 500 eV. The experimental differential cross sections were obtained in the high resolution electron energy loss spectrometer VG-SEELS 400, in Lisbon, for electron energies from 8.0 eV to 50 eV and angular range from 7 degrees to 110 degrees. From the present theoretical integral cross section (ICS) we discuss the low-energy shape-resonances present in chlorobenzene and compare our computed resonance spectra with available electron transmission spectroscopy data present in the literature. Since there is no other work in the literature reporting differential cross sections for this molecule, we compare our theoretical and experimental DCSs with experimental data available for the parent molecule benzene. Published by AIP Publishing.

Large Eddy Simulations applied to wind loading and pollutant dispersion

The application of Computational Fluid Dynamics based on the Reynolds-Averaged Navier-Stokes equations to the simulation of bluff body aerodynamics has been thoroughly investigated in the past. Although a satisfactory accuracy can be obtained for some urban physics problems their predictive capability is limited to the mean flow properties, while the ability to accurately predict turbulent fluctuations is recognized to be of fundamental importance when dealing with wind loading and pollution dispersion problems. The need to correctly take into account the flow dynamics when such problems are faced has led researchers to move towards scale-resolving turbulence models such as Large Eddy Simulations (LES). The development and assessment of LES as a tool for the analysis of these problems is nowadays an active research field and represents a demanding engineering challenge. This research work has two objectives. The first one is focused on wind loads assessment and aims to study the capabilities of LES in reproducing wind load effects in terms of internal forces on structural members. This differs from the majority of the existing research, where performance of LES is evaluated only in terms of surface pressures, and is done with a view of adopting LES as a complementary design tools alongside wind tunnel tests. The second objective is the study of LES capabilities in calculating pollutant dispersion in the built environment. The validation of LES in this field is considered to be of the utmost importance in order to conceive healthier and more sustainable cities. In order to validate the numerical setup adopted, a systematic comparison between numerical and experimental data is performed. The obtained results are intended to be used in the drafting of best practice guidelines for the application of LES in the urban physics field with a particular attention to wind load assessment and pollution dispersion problems.

Development and experimental validation of a knock induced damage model and real-time implementation of model-based strategies to control knock intensity in boosted gasoline engines

This PhD thesis reports the main activities carried out during the 3 years long “Mechanics and advanced engineering sciences” course, at the Department of Industrial Engineering of the University of Bologna. The research project title is “Development and analysis of high efficiency combustion systems for internal combustion engines” and the main topic is knock, one of the main challenges for boosted gasoline engines. Through experimental campaigns, modelling activity and test bench validation, 4 different aspects have been addressed to tackle the issue. The main path goes towards the definition and calibration of a knock-induced damage model, to be implemented in the on-board control strategy, but also usable for the engine calibration and potentially during the engine design. Ionization current signal capabilities have been investigated to fully replace the pressure sensor, to develop a robust on-board close-loop combustion control strategy, both in knock-free and knock-limited conditions. Water injection is a powerful solution to mitigate knock intensity and exhaust temperature, improving fuel consumption; its capabilities have been modelled and validated at the test bench. Finally, an empiric model is proposed to predict the engine knock response, depending on several operating condition and control parameters, including injected water quantity.

Study and experimental characterization of the laser welding process for the manufacturing of electric powertrain components in the automotive industry

The PhD project that will be presented in this thesis is focused on the study and optimization of the production process for the manufacturing of electrical powertrain components in the automotive field using the laser beam welding process (LBW). The objective is to define, through experimental activities, an optimized process condition for applications in the electrical field that can be generalized, that is, which guarantees its reproducibility as the types of connections vary and which represents the basis for extending the method to future applications in e-mobility sector. The work developed along two lines of research, the convergence of which made it possible to create prototypes of battery modules based on different types of lithium-ion cells and stator windings for electric motors. On the one hand, the different welding configurations involving the production of batteries based on pouch cells and therefore the welding of aluminum and copper in dissimilar configuration were studied, while for the prismatic cells only one configuration was analyzed. On the other hand, the welding of pure copper hairpins with rectangular shape in edge joint configuration was studied for the production of stator windings. The experimental tests carried out have demonstrated the feasibility of using the LBW process for the production of electric powertrain components entirely designed and developed internally as the types of materials and welding configurations vary; the methodologies required for the characterization methods, necessary for the end-of-line tests, for the evaluation of the properties of the different joint configurations and components (battery and electric motor) were also defined with the aim of obtaining the best performance. The entire doctorate program was conducted in collaboration with Ferrari Auto S.p.A. and the direct industrial application of the issues addressed has been faced.

Theoretical and experimental studies of gold catalysts for glucose oxidation

The glucaric acid (GLA) has been identified as a “top value-added chemical from biomass” that can be employed for many uses; for instance, it could be a precursor of adipic acid, a monomer of Nylon-6,6. GLA can be synthetized by the oxidation of glucose (GLU), passing through the intermediate gluconic acid (GLO). In recent years, a new process has been sought to obtain GLA in an economic and environmental sustainable way, in order to replace the current use of HNO3 as a stoichiometric oxidant, or electrocatalysis and biochemical synthesis, which show several disadvantages. Thereby, this work is focused on the study of catalysts based on gold nanoparticles supported on activated carbon for the oxidation reaction of GLU to GLA using O2 as an oxidant agent and NaOH as base. The sol-immobilization method leads us to obtain small and well dispersed nanoparticles, characterized by UV-Vis, XRD and TEM techniques. Repeating the reaction on different batches of catalyst, both the synthesis and the reaction were confirmed to be reproducible. The effect of the reaction time feeding GLO as reagent was studied: the results show that the conversion of GLO increases as the reaction time increases; however, the yields of GLA and others increase up to 1 hour, and then they remain constant. In order to obtain information on the catalytic mechanism at the atomistic level, a computational study based on density functional theory and atomistic modeling of the gold nano-catalyst were performed. Highly symmetric (icosahedral and cubo-octahedral) and distorted Au55 nanoparticles have been optimized along with Au(111) and Au(100) surfaces. Distorted structures were found to be more stable than symmetrical ones due to relativistic effects. On these various models the adsorptions of various species involved in the catalysis have been studied, including OH- species, GLU and GLO. The study carried out aims to provide a method for approaching to the study of nanoparticellary catalytic systems.

Theoretical and experimental investigations on homologation of ethanol to butanol using a ruthenium-based catalyst

The mechanism of homologation of bioethanol to butanol and higher alcohols via the Guerbet reaction was computationally and experimentally investigated. The catalytic pathway involves a ruthenium-based complex and a base co-catalyst which work simultaneously. Due to selectivity issues, secondary products were formed and high competition between main pathway and side reactions was recorded. Herein, the overall catalytic mechanism for all the processes involved in was investigated, also considering the principal side reactions, using density functional theory (DFT) methods and experiments to confirm theoretical outcomes. Due to the complexity of the reaction network, kinetic simulations were established from DFT results, confirming experimental products distribution and giving insights into the factors governing the reaction mechanism.

Theoretical and experimental study of novel hybrid composite and metal-composites interfaces

The growing demand for lightweight solutions in every field of engineering is driving the industry to seek new technological solutions to exploit the full potential of different materials. The combination of dissimilar materials with distinct property ranges embodies a transparent allocation of component functions while allowing an optimal mix of their characteristics. From both technological and design perspectives, the interaction between dissimilar materials can lead to severe defects that compromise a multi-material hybrid component's performance and its structural integrity. This thesis aims to develop methodologies for designing, manufacturing, and monitoring of hybrid metal-composite joints and hybrid composite components. In Chapter 1, a methodology for designing and manufacturing hybrid aluminum/composite co-cured tubes is assessed. In Chapter 2, a full-field methodology for fiber misalignment detection and stiffness prediction for hybrid, long fiber reinforced composite systems is shown and demonstrated. Chapter 3 reports the development of a novel technology for joining short fiber systems and metals in a one-step co-curing process using lattice structures. Chapter 4 is dedicated to a novel analytical framework for the design optimization of two lattice architectures.