FundaÃÃo Cearense de Apoio ao Desenvolvimento Cientifico e TecnolÃgico / Permanent deformation or rutting is a major distress in asphalt pavements. To predict permanent deformation of asphalt mixtures the dynamic creep test is often used in laboratory, with the result presented in terms of the so called flow number. However, for this work it was performed the triaxial repeated permanent deformation load test, a confined test that better represents field conditions. The models that incorporate the flow number do not represent the main zone of the dynamic creep test result, denoted secondary region, in which the permanent deformation rate of growth is constant. In this work the Shift Model was used, which is a viscoplastic model that accesses the permanent deformation from the superposition principles, i.e., time-temperature superposition and time-stress superposition. Thus, the asphalt mixtures were tested under different loading conditions, temperature, load time and rest period, in order to assess three parameters of the test: parameter C, which indicates where the secondary region begins (parameter that governs the primary region of the test); the parameter α (alpha) is the slope of the secondary region; and the parameter B represents the level of permanent deformation of the secondary region. The results show that the TRLPD test is more severe than the conventional dynamic creep test. Nevertheless, the use of TRLPD test represents an advance in the understanding of the behavior of asphalt mixtures with respect to rutting performance, and has the advantage of allowing the use of results in computational simulations. / A deformaÃÃo permanente à um dos principais defeitos em pavimentos asfÃlticos. Para prever esta falha em revestimentos, por meio de ensaios laboratoriais, à frequentemente utilizado o ensaio de creep dinÃmico cujo resultado final à apresentado em termos do chamado flow number. No entanto, para este trabalho foi realizado o triaxial repeated load permanent deformation (TRLPD) test, que à um ensaio sob condiÃÃes de confinamento, a fim de melhor se aproximar das condiÃÃes encontradas em campo. Os modelos que incorporam o flow number nÃo representam a principal regiÃo de ensaio de creep dinÃmico, denominada regiÃo secundÃria, na qual o incremento de deformaÃÃo permanente cresce em valor constante. No presente trabalho utilizou-se o Shift Model, o qual à um modelo viscoplÃstico que avalia a deformaÃÃo permanente a partir da superposiÃÃo dos efeitos tempo-temperatura e tempo-tensÃo. Dessa forma, as misturas asfÃlticas foram testadas sob diferentes condiÃÃes de carregamento, temperatura, tempo de aplicaÃÃo de carga e perÃodo de repouso. Foram avaliados trÃs parÃmetros do ensaio em questÃo: o parÃmetro C, que fornece os dados de onde a regiÃo secundÃria se inicia (parÃmetro que governa a regiÃo primÃria do ensaio); o parÃmetro α (alfa), que à o aclive da regiÃo secundÃria; e o parÃmetro B, que representa o nÃvel de deformaÃÃo permanente da regiÃo secundÃria. Os resultados obtidos mostram que o ensaio TRLPD à mais severo do que o ensaio convencional de creep dinÃmico, porÃm considera-se que a utilizaÃÃo de ensaios confinados representa um avanÃo para o entendimento do comportamento das misturas asfÃlticas quanto à resistÃncia à deformaÃÃo permanente das mesmas, e este traz a vantagem de poder ser usado em simulaÃÃes computacionais.

Orientador: Roy Edward Bruns / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Quimica / Made available in DSpace on 2018-08-11T06:56:00Z (GMT). No. of bitstreams: 1 Faria_SergioHenriqueDiasMarques_M.pdf: 997317 bytes, checksum: c659ee21fc8d6bfbdf14b0418bd6b99b (MD5) Previous issue date: 2008 / Resumo: Foram determinadas as cargas e dipolos atômicos QTAIM, a partir das geometrias otimizadas das moléculas X2CY (X = H, F, Cl; Y = O, S). Com esses dados, foram calculados os momentos de dipolo molecular dessas moléculas, que apresentaram uma boa concordância com os valores experimentais disponíveis na literatura e com os calculados diretamente pela função de onda MP2/6-311++G (3d, 3p). Também foram calculadas as intensidades fundamentais do infravermelho das moléculas X2CY que tiveram boa concordância com as intensidades fundamentais experimentais já publicadas, além daquelas obtidas com a função de onda MP2. Com as derivadas médias do momento dipolar das moléculas X2CY decompostas em contribuições de carga ¿ fluxo de carga ¿ fluxo de dipolo foi verificada a validade da regra da soma (CSSM - Characteristic Substituent-Shift Model) para essas três contribuições. Os resultados indicaram boa concordância da regra da soma em relação aos resultados obtidos pelo modelo CCFDF/QTAIM para todas as contribuições. A regra da soma para as contribuições CCFDF das derivadas médias do momento dipolar das moléculas CnHm, CHnXm (X= F, Cl), CFnClm, CX2 (X = S, O) e CX4 (X = F, Cl) também foi testada. Observouse que as contribuições de carga tiveram uma melhor concordância com as do modelo CCFDF/QTAIM do que as dos fluxos para o átomo de carbono. Já, para os átomos terminais dessas moléculas, a regra da soma mostrou-se inválida para o cálculo das derivadas médias do momento dipolar. Finalmente, a comparação entre os programas Gaussian 98 com o Morphy mostrou que ambos os programas são igualmente eficientes / Abstract: The QTAIM atomic charges and dipoles of X2CY (X = H, F, Cl; Y = O, S) molecules were determined from their optimized geometries. With these data the molecular dipole moments were calculated, showing good agreement with the experimental values in the literature and with the calculated values from the MP2/6-311++G (3d, 3p) wavefunction. The infrared fundamental intensities of the X2CY molecules were calculated and presented good agreement with experimental results already published and also with those obtained with the MP2 wavefunction. With the mean dipole moment derivatives of X2CY molecules decomposed into charge ¿ charge flux ¿ dipole flux contributions, the validity of the Characteristic Substituent Shift Model (CSSM) was verified for these three contributions. The results indicated good agreement of the CSSM in relation to the results obtained from the CCFDF/QTAIM model for all contributions. The CSSM for CCFDF contributions of the mean dipole moment derivatives of the CnHm, CHnXm (X= F, Cl), CFnClm, CX2 (X = S, O) e CX4 (X = F, Cl) molecules was also tested. The charge contributions showed better agreement with the ones of the CCFDF/QTAIM model than did the flux contributions for the carbon atom. For terminal atoms of theses molecules, the CSSM was not valid for the calculation of the mean dipole moment derivatives. Finally, comparison between results of the Gaussian 98 and Morphy programs showed that both are equally efficient for these X2CY molecules / Mestrado / Físico-Química / Mestre em Química

Thin Film Transistors (TFTs) are widely used in large area electronics because they offer the advantage of low cost fabrication and wide substrate choice. TFTs have been conventionally used for switching applications in large area display arrays. But when it comes to designing a sensor actuator system on a flexible substrate comprising entirely of organic and inorganic TFTs, there are two main challenges – i) Fabrication of complementary TFT devices is difficult ii) TFTs have a drift in their threshold voltage (VT) on application of gate bias. Also currently there are no circuit simulators in the market which account for the effect of VT drift with time in TFT circuits. The first part of this thesis focuses on integrating the VT shift model in the commercially available AIM-Spice circuit simulator. This provides a new and powerful tool that would predict the effect of VT shift on nodal voltages and currents in circuits and also on parameters like small signal gain, bandwidth, hysteresis etc. Since the existing amorphous silicon TFT models (level 11 and level 15) of AIM-Spice are copyright protected, the open source BSIM4V4 model for the purpose of demonstration is used. The simulator is discussed in detail and an algorithm for integration is provided which is then supported by the data from the simulation plots and experimental results for popular TFT configurations. The second part of the thesis illustrates the idea of using negative feedback achieved via contact resistance modulation to minimize the effect of VT shift in the drain current of the TFT. Analytical expressions are derived for the exact value of resistance needed to compensate for the VT shift entirely. Circuit to realize this resistance using TFTs is also provided. All these are experimentally verified using fabricated organic P-type Copper Phthalocyanine (CuPc) and inorganic N-type Tin doped Zinc Oxide (ZTO) TFTs. The third part of the thesis focuses on building a robust amplifier using these TFTs which has time invariant DC voltage level and small signal gain at the output. A differential amplifier using ZTO TFTs has been built and is shown to fit all these criteria. Ideas on vertical routing in an actual sensor actuator interface using this amplifier have also been discussed such that the whole system may be “tearable” in any contour. Such a sensor actuator interface can have varied applications including wrap around thermometers and X-ray machines.

<div>Studies of turbulent combustion in the past mainly focus on problems with single-regime combustion. In practical combustion systems, however, combustion rarely occurs in a single regime, and different regimes of combustion can be observed in the same system. This creates a significant gap between our existing knowledge of combustion in single regime and the practical need in multi-regime combustion. In this work, we aim to extend the traditional single-regime combustion models to problems involving different regimes of combustion. Among the existing modeling methods, Transported Probability Density Function (PDF) method is attractive for its intrinsic closure of treating detailed chemical kinetics and has been demonstrated to be promising in predicting low-probability but practically important combustion events like local extinction and re-ignition. In this work, we focus on the model assessment and advancement of the Large Eddy Simulation (LES)/ PDF method in predicting turbulent multi-regime combustion.</div><div><br></div><div><div>Two combustion benchmark problems are considered for the model assessment. One is a recently designed turbulent piloted jet flame that features statistically transient processes, the Sydney turbulent pulsed piloted jet flame. A direct comparison of the predicted and measured time series of the axial velocity demonstrates a satisfactory prediction of the flow and turbulence fields of the pulsed jet flame by the employed LES/PDF modeling method. A comparison of the PLIF-OH images and the predicted OH mass fraction contours at a few selected times shows that the method captures the different combustion stages including healthy burning, significant extinction, and the re-establishment of healthy burning, in the statistically transient process. The temporal history of the conditional PDF of OH mass fraction/temperature at around stoichiometric conditions at different axial locations suggests that the method predicts the extinction and re-establishment timings accurately at upstream locations but less accurately at downstream locations with a delay of burning reestablishment. The other test case is a unified series of existing turbulent piloted flames. To facilitate model assessment across different combustion regimes, we develop a model validation framework by unifying several existing pilot stabilized turbulent jet flames in different combustion regimes. The characteristic similarity and difference of the employed piloted flames are examined, including the Sydney piloted flames L, B, and M, the Sandia piloted flames D, E, and F, a series of piloted premixed Bunsen flames, and the Sydney/Sandia inhomogeneous inlet piloted jet flames. Proper parameterization and a regime diagram are introduced to characterize the pilot stabilized flames covering non-premixed, partially premixed, and premixed flames. A preliminary model assessment is carried out to examine the simultaneous model performance of the LES/PDF method for the piloted jet flames across different combustion regimes.</div><div><br></div><div>With the assessment work in the above two test cases, it is found that the LES/PDF method can predict the statistically transient combustion and multi-regime combustion reasonably well but some modeling limitations are also identified. Thus, further model advancement is needed for the LES/PDF method. In this work, we focus on two model advancement studies related to the molecular diffusion and sub-filter scale mixing processes in turbulent combustion. The first study is to deal with differential molecular diffusion (DMD) among different species. The importance of theDMD effects on combustion has been found in many applications. However, in most previous combustion models equal molecular diffusivity is assumed. To incorporate the DMD effects accurately, we develop a model called Variance Consistent Mean Shift (VCMS) model. The second model advancement focuses on the sub-filter scale mixing in high-Karlovitz (Ka) number turbulent combustion. We analyze the DNS data of a Sandia high-Ka premixed jet flame to gain insights into the modeling of sub-filter scale mixing. A sub-filter scale mixing time scale is analyzed with respect to the filter size to examine the validity of a power-law scaling model for the mixing time scale.</div></div>

This thesis focuses on (1) the statistical methodologies for the estimation of spatial data with outliers and (2) classification accuracy of disease diagnosis. Chapter I, Robust Estimation for Spatial Markov Random Field Models: Markov Random Field (MRF) models are useful in analyzing spatial lattice data collected from semiconductor device fabrication and printed circuit board manufacturing processes or agricultural field trials. When outliers are present in the data, classical parameter estimation techniques (e.g., least squares) can be inefficient and potentially mislead the analyst. This chapter extends the MRF model to accommodate outliers and proposes robust parameter estimation methods such as the robust M- and RA-estimates. Asymptotic distributions of the estimates with differentiable and non-differentiable robustifying function are derived. Extensive simulation studies explore robustness properties of the proposed methods in situations with various amounts of outliers in different patterns. Also provided are studies of analysis of grid data with and without the edge information. Three data sets taken from the literature illustrate advantages of the methods. Chapter II, Extending the Skill Test for Disease Diagnosis: For diagnostic tests, we present an extension to the skill plot introduced by Mozer and Briggs (2003). The method is motivated by diagnostic measures for osteoporosis in a study. By restricting the area under the ROC curve (AUC) according to the skill statistic, we have an improved diagnostic test for practical applications by considering the misclassification costs. We also construct relationships, using the Koziol-Green model and mean-shift model, between the diseased group and the healthy group for improving the skill statistic. Asymptotic properties of the skill statistic are provided. Simulation studies compare the theoretical results and the estimates under various disease rates and misclassification costs. We apply the proposed method in classification of osteoporosis data.

The concept of outlier detection by statistical hypothesis testing in geodesy is briefly reviewed. The performance of such tests can only be measured or optimized with respect to a proper alternative hypothesis. Firstly, we discuss the important question whether gross errors should be treated as non-random quantities or as random variables. In the first case, the alternative hypothesis must be based on the common mean shift model, while in the second case, the variance inflation model is appropriate. Secondly, we review possible formulations of alternative hypotheses (inherent, deterministic, slippage, mixture) and discuss their implications. As measures of optimality of an outlier detection, we propose the premium and protection, which are briefly reviewed. Finally, we work out a practical example: the fit of a straight line. It demonstrates the impact of the choice of an alternative hypothesis for outlier detection. / Das Konzept der Ausreißererkennung durch statistische Hypothesentests in der Geodäsie wird kurz überblickt. Die Leistungsfähigkeit solch eines Tests kann nur gemessen oder optimiert werden in Bezug auf eine geeignete Alternativhypothese. Als erstes diskutieren wir die wichtige Frage, ob grobe Fehler als nicht-zufällige oder zufällige Größen behandelt werden sollten. Im ersten Fall muss die Alternativhypothese auf das Mean-Shift-Modell gegründet werden, im zweiten Fall ist das Variance-Inflation-Modell passend. Als zweites stellen wir mögliche Formulierungen von Alternativhypothesen zusammen und diskutieren ihre Implikationen. Als Optimalitätsmaß schlagen wir das Premium-Protection-Maß vor, welches kurz überblickt wird. Schließlich arbeiten wir ein praktisches Beispiel aus: Die Anpassung einer ausgleichenden Gerade. Es zeigt die Auswirkung der Wahl einer Alternativhypothese für die Ausreißererkennung.

The concept of outlier detection by statistical hypothesis testing in geodesy is briefly reviewed. The performance of such tests can only be measured or optimized with respect to a proper alternative hypothesis. Firstly, we discuss the important question whether gross errors should be treated as non-random quantities or as random variables. In the first case, the alternative hypothesis must be based on the common mean shift model, while in the second case, the variance inflation model is appropriate. Secondly, we review possible formulations of alternative hypotheses (inherent, deterministic, slippage, mixture) and discuss their implications. As measures of optimality of an outlier detection, we propose the premium and protection, which are briefly reviewed. Finally, we work out a practical example: the fit of a straight line. It demonstrates the impact of the choice of an alternative hypothesis for outlier detection. / Das Konzept der Ausreißererkennung durch statistische Hypothesentests in der Geodäsie wird kurz überblickt. Die Leistungsfähigkeit solch eines Tests kann nur gemessen oder optimiert werden in Bezug auf eine geeignete Alternativhypothese. Als erstes diskutieren wir die wichtige Frage, ob grobe Fehler als nicht-zufällige oder zufällige Größen behandelt werden sollten. Im ersten Fall muss die Alternativhypothese auf das Mean-Shift-Modell gegründet werden, im zweiten Fall ist das Variance-Inflation-Modell passend. Als zweites stellen wir mögliche Formulierungen von Alternativhypothesen zusammen und diskutieren ihre Implikationen. Als Optimalitätsmaß schlagen wir das Premium-Protection-Maß vor, welches kurz überblickt wird. Schließlich arbeiten wir ein praktisches Beispiel aus: Die Anpassung einer ausgleichenden Gerade. Es zeigt die Auswirkung der Wahl einer Alternativhypothese für die Ausreißererkennung.