One of the major goal of the researchers is to reduce energy loss including nanoscale to the structural level. For instance, around 65% of fuel energy is lost during the propulsion of the automobiles, where 11% of the loss happens at tires due to rolling friction. Out of that tire loss, 90 to 95% loss happens due to hysteresis of tire materials. This dissertation focuses on multiscale modeling techniques in order to facilitate the discovery new rubber materials. Enhanced coarse-grained models of elastomers (thermoplastic polyurethane elastomer and natural rubber) are constructed from full-atomic models with reasonable repeat units/beads associated with pressure-correction for non-bonded interactions of the beads using inverse Boltzmann method (IBM). Equivalent continuum modeling is performed with volumetric/isochoric loading to predict macroscopic mechanical properties using molecular mechanics (MM) and molecular dynamics (MD). Glass-transition and rate-dependent mechanical properties along with hysteresis loss under uniaxial deformation is predicted with varying composition of the material. A statistical non-Gaussian treatment of a rubber chain is performed and linked with molecular dynamics in order predict hyperelastic material constants without fitting with any experimental data.

This dissertation consists of three chapters that generally focus on the design of welfare-maximizing treatment assignment rules in heterogeneous populations with interactions. In the first two chapters, I focus on an important pre-step in the design of treatment assignment rules: inference for heterogeneous treatment effects in populations with interactions. In the final chapter, I and my co-authors study treatment assignment rules in the presence of social interaction in heterogeneous populations. In chapter one, I argue that statistical inference of heterogeneous treatment effects (HTEs) across predefined subgroups is complicated when economic units interact because treatment effects may vary by pretreatment variables, post-treatment exposure variables (that measure the exposure to other units’ treatment statuses), or both. It invalidates the standard hypothesis testing technique used to infer HTEs. To address the problem, I develop statistical methods (asymptotic and bootstrap) to infer HTEs and disentangle the drivers of treatment effects heterogeneity in populations where units interact. Specifically, I incorporate clustered interference into the potential outcomes model and propose kernel-based test statistics for the null hypotheses of (a) no HTEs by treatment assignment (or post-treatment exposure variables) for all pretreatment variables values; and (b) no HTEs by pretreatment variables for all treatment assignment vectors. To disentangle the source of heterogeneity in treatment effects, I recommend a multiple-testing algorithm. In addition, I prove the asymptotic properties of the proposed test statistics via a modern poissonization technique. As a robust alternative to the inferential methods I propose in chapter one, in chapter two, I design randomization tests of heterogeneous treatment effects (HTEs) when units interact on a single network. My modeling strategy allows network interference into the potential outcomes framework using the concept of network exposure mapping. I consider three null hypotheses that represent different notions of homogeneous treatment effects, but due to nuisance parameters and the multiplicity of potential outcomes, the hypotheses are not sharp. To address the issue of multiple potential outcomes, I propose a conditional randomization inference method that expands on existing methods. Additionally, I consider two techniques that overcome the nuisance parameter issue. I show that my conditional randomization inference method, combined with either of the proposed techniques for handling nuisance parameters, produces asymptotically valid p-values. Chapter three is based on a joint paper with Young Ki Shin and Seungjin Han. We study treatment assignment rules in the presence of social interaction in heterogeneous populations. We construct an analytical framework under the anonymous interaction assumption, where the decision problem becomes choosing a treatment fraction. We propose a multinomial empirical success (MES) rule that includes the empirical success rule of Manski (2004) as a special case. We investigate the non-asymptotic bounds of the expected utility based on the MES rule. / Dissertation / Doctor of Philosophy (PhD)

La dernière décennie a vu l'émergence de la prévision probabiliste de débits en tant qu'approche plus adaptée pour l'anticipation des risques et la mise en vigilance pour lasécurité des personnes et des biens. Cependant, au delà du gain en sécurité, la valeur ajoutée de l'information probabiliste se traduit également en gains économiques ou en une gestion optimale de la ressource en eau disponible pour les activités économiques qui en dépendent. Dans la chaîne de prévision de débits, l'incertitude des modèles météorologiques de prévision de pluies joue un rôle important. Pour pouvoir aller au-delà des limites de prévisibilité classiques, les services météorologiques font appel aux systèmes de prévision d'ensemble,générés sur la base de variations imposées dans les conditions initiales des modèlesnumériques et de variations stochastiques de leur paramétrisation. Des scénarioséquiprobables de l'évolution de l'atmosphère pour des horizons de prévision pouvant aller jusqu'à 10-15 jours sont ainsi proposés. L'intégration des prévisions météorologiques d'ensemble dans la chaîne de prévision hydrologique se présente comme une approche séduisante pour produire des prévisions probabilistes de débits et quantifier l'incertitude prédictive totale en hydrologie. / The last decade has seen the emergence of streamflow probabilistic forecasting as the most suitable approach to anticipate risks and provide warnings for public safety and property protection. However, beyond the gains in security, the added‐value of probabilistic information also translates into economic benefits or an optimal management of water resources for economic activities that depend on it.In streamflow forecasting, the uncertainty associated with rainfall predictions from numerical weather prediction models plays an important role. To go beyond the limits of classical predictability, meteorological services developed ensemble prediction systems, which are generated on the basis of perturbations of the initial conditions of the models and stochastic variations in their parameterization. Equally probable scenarios of the evolution of the atmosphere are proposed for forecasting horizons up to 10‐15 days.The integration of weather ensemble predictions in the hydrological forecasting chain is an interesting approach to produce probabilistic streamflow forecasts and quantify the total predictive uncertainty in hydrology. Last and final summary in the thesis.

O estudo de características de isospin na excitação do estado 2 POT.+IND.1 foi implementado nos núcleos ANTPOT.70, 72, 74 Ge com a realização de medidas de espalhamento inelástico na região de interferência nuclear coulombiana (INC) com ANTPOT.6 Li de 28 MeV. A análise da INC, utilizando projéteis leves de interação isoescalar, na excitação de estados coletivos é uma ferramenta poderosa para evidenciar mudanças de estrutura em cadeias de núcleos, e fornecer resultados robustos para testes de modelos. A principal vantagem do método é a extração simultânea dos parâmetros de deformação de carga e massa das transições, minimizando as incertezas na razão entre as probabilidades reduzidas de transição elétrica e de massa, B(El) e B(ISl), indicadores importantes da coletividade dos estados nucleares. A análise foi realizada na aproximação de Born com ondas distorcidas e potencial óptico deformado (DWBA-DOMP), usando um conjunto de parâmetros de potencial óptico global. Os ajustes das previsões à distribuições angulares, empregando o método interativo de Gauss, exibiram excelente qualidade. Os parâmetros correlacionados extraídos na minimização do chi-quadrado, delta IND.n(comprimento de deformação nuclear) e C=delta IND.c/delta IND.n (razão entre os comprimentos de deformação de carga e nuclear), e suas incertezas, foram submetidos a testes estatísticos que os validaram. Dentre as grandezas determinadas a partir desses parâmetros, os valores de B(IS2), inéditos nos isótopos de Ge, mostraram uma mudança de estrutura não evidenciada pelos valores de B(E2). A probabilidade reduzida de transição isoescalar cresceu com o incremento do número de nêutrons, com um aumento abrupto no ANTPOT.74 Ge. Já a probabilidade reduzida de transição elétrica aumentou de maneira mais suave. Essa diferença de comportamento foi um reflexo da variação do parâmetro extraído C, que no ANTPOT.74 Ge indicou uma ) contribuição maior dos nêutrons frente aos prótons na excitação do primeiro estado quadrupolar. Os isótopos ANTPOT.70, 72 Ge, por outro lado, revelaram contribuições equivalentes e homogêneas para essas transições. Com a determinação precisa das contribuições de massa e de carga para a excitação do primeiro estado quadrupolar, novos subsídios estão disponíveis para futuros cálculos. / The analysis of the isospin character of the 2 POT.+ IND.1 excitation in the ANTPOT.70,72,74 Ge nuclei, with 28 MeV ANTPOT.6 Li, was applied to the inelastic scattering in the coulomb nuclear interference (CNI) region. The CNI measurements in the exitation of collective states with light isoscalar projectiles are powerful tools to evidence structure changes in nuclei chains, allowing tests of nuclear models. In this method the simultaneous extraction of the charge and mass deformation parameters, minimizes the uncertainties in the ratio of charge B(El) to mass B(ISl) trasition reduced probabilities, wich are important indicators of the nuclear collectivity. The present analysis was developed in the framework of the distorted wave Born approximation within a deformed optical potential approach (DWBA-DOMP), using a set of global optical model parameters. Excellent quality fits of the predictions to the experimental angular distributions, employing the Gauss iterative method, were obtained. The correlated parameters delta IND.N (nuclear deformation length) and C = delta IND.C/delta IND.N (ratio of charge to nuclear deformation lenghts), and their uncertainties extracted in the least squares method, were validated by statistical tests. The B(IS2) values for germanium isotopes, not previously reported, were determined in the analysis and revealed a structure change not evidenced by the B(E2) values. The isoscalar transition reduced probability raises when the neutron number increases, showing in the ANTPOT.74 Ge an abrupt enhancement. Nevertheless, the eletric transition reduced probability grows smoothly. This behavior was detected following the experimental extracted C parameters, indicating in the heavier isotope a predominance of neutrons in the first quadrupolar excitation. The ANTPOT.70,72 Ge isotopes, on the other hand, displayed equivalent and homogeneous contributions of protoons and neutrons. New information on mass and charge contributions for the 0 POT.+ IND.1 -> 2 POT.+ IND.1 transition, in the germanium isotopes, is now available for future theoretical interpretation.

The main objective of this thesis is to evaluate the impact of Structural Funds of the European Union on social-economic espects of the Local Action Group Třeboňsko and to describe the means and rules for obtaining support from structural funds ? in particular the conditions for drawdown of subsidies from the Leader programme. I contacted representatives of municipalities with a questionnaire survey and asked about satisfaction with the implementation of structural funds, sukces in drawing, purpose for used resources, their vision for the future. Findings are summarized in the tables nad graphs. Results of the survey evaluated and processed. Custom design changes and recommendations.

O estudo de características de isospin na excitação do estado 2 POT.+IND.1 foi implementado nos núcleos ANTPOT.70, 72, 74 Ge com a realização de medidas de espalhamento inelástico na região de interferência nuclear coulombiana (INC) com ANTPOT.6 Li de 28 MeV. A análise da INC, utilizando projéteis leves de interação isoescalar, na excitação de estados coletivos é uma ferramenta poderosa para evidenciar mudanças de estrutura em cadeias de núcleos, e fornecer resultados robustos para testes de modelos. A principal vantagem do método é a extração simultânea dos parâmetros de deformação de carga e massa das transições, minimizando as incertezas na razão entre as probabilidades reduzidas de transição elétrica e de massa, B(El) e B(ISl), indicadores importantes da coletividade dos estados nucleares. A análise foi realizada na aproximação de Born com ondas distorcidas e potencial óptico deformado (DWBA-DOMP), usando um conjunto de parâmetros de potencial óptico global. Os ajustes das previsões à distribuições angulares, empregando o método interativo de Gauss, exibiram excelente qualidade. Os parâmetros correlacionados extraídos na minimização do chi-quadrado, delta IND.n(comprimento de deformação nuclear) e C=delta IND.c/delta IND.n (razão entre os comprimentos de deformação de carga e nuclear), e suas incertezas, foram submetidos a testes estatísticos que os validaram. Dentre as grandezas determinadas a partir desses parâmetros, os valores de B(IS2), inéditos nos isótopos de Ge, mostraram uma mudança de estrutura não evidenciada pelos valores de B(E2). A probabilidade reduzida de transição isoescalar cresceu com o incremento do número de nêutrons, com um aumento abrupto no ANTPOT.74 Ge. Já a probabilidade reduzida de transição elétrica aumentou de maneira mais suave. Essa diferença de comportamento foi um reflexo da variação do parâmetro extraído C, que no ANTPOT.74 Ge indicou uma ) contribuição maior dos nêutrons frente aos prótons na excitação do primeiro estado quadrupolar. Os isótopos ANTPOT.70, 72 Ge, por outro lado, revelaram contribuições equivalentes e homogêneas para essas transições. Com a determinação precisa das contribuições de massa e de carga para a excitação do primeiro estado quadrupolar, novos subsídios estão disponíveis para futuros cálculos. / The analysis of the isospin character of the 2 POT.+ IND.1 excitation in the ANTPOT.70,72,74 Ge nuclei, with 28 MeV ANTPOT.6 Li, was applied to the inelastic scattering in the coulomb nuclear interference (CNI) region. The CNI measurements in the exitation of collective states with light isoscalar projectiles are powerful tools to evidence structure changes in nuclei chains, allowing tests of nuclear models. In this method the simultaneous extraction of the charge and mass deformation parameters, minimizes the uncertainties in the ratio of charge B(El) to mass B(ISl) trasition reduced probabilities, wich are important indicators of the nuclear collectivity. The present analysis was developed in the framework of the distorted wave Born approximation within a deformed optical potential approach (DWBA-DOMP), using a set of global optical model parameters. Excellent quality fits of the predictions to the experimental angular distributions, employing the Gauss iterative method, were obtained. The correlated parameters delta IND.N (nuclear deformation length) and C = delta IND.C/delta IND.N (ratio of charge to nuclear deformation lenghts), and their uncertainties extracted in the least squares method, were validated by statistical tests. The B(IS2) values for germanium isotopes, not previously reported, were determined in the analysis and revealed a structure change not evidenced by the B(E2) values. The isoscalar transition reduced probability raises when the neutron number increases, showing in the ANTPOT.74 Ge an abrupt enhancement. Nevertheless, the eletric transition reduced probability grows smoothly. This behavior was detected following the experimental extracted C parameters, indicating in the heavier isotope a predominance of neutrons in the first quadrupolar excitation. The ANTPOT.70,72 Ge isotopes, on the other hand, displayed equivalent and homogeneous contributions of protoons and neutrons. New information on mass and charge contributions for the 0 POT.+ IND.1 -> 2 POT.+ IND.1 transition, in the germanium isotopes, is now available for future theoretical interpretation.

Ce présent travail de thèse porte sur l’étude du potentiel d’un traitement de surface par laser femtoseconde comme étape de substitution aux traitements réalisés actuellement lors de la métallisation de polymère. Pour cela, l’étude des modifications chimiques et morphologiques induites par traitement laser femtoseconde ainsi que leurs influences respectives sur les propriétés d’adhérences et de mouillabilités de la surface polypropylène sont présentées. Une revue bibliographique met en évidence la faisabilité d’une modification contrôlée de la surface du polypropylène après traitement laser femtoseconde. De plus, ces modifications engendrent une évolution démontrée des propriétés de mouillage qui peuvent répondre à certaines demandes industrielles. Après traitement laser femtoseconde, la surface traitée répond de différentes manières à la sollicitation en fonction de ses propriétés intrinsèques. Les expériences d’impacts localisés et de surfaces nous ont conduits à observer trois stades de modifications topographiques pour les conditions étudiées : un phénomène d’incubation, d’accumulation et d’ablation. Ce dernier a fait l’objet d’une étude plus approfondie. De manière générale, on observe deux régimes d’ablation linéaires pour l’ensemble des densités de puissance étudiées lorsque l’on étudie la profondeur d’ablation en fonction du nombre d’impulsion et le volume d’ablation en fonction de la densité de puissance cumulée. Enfin, nous montrons que les liaisons présentes en surface après traitement sont dépendantes de deux facteurs ; la densité de puissance cumulée utilisée et l’environnement de travail. Sachant que les modifications topographiques obtenues sont de types multi-échelles, les résultats ont été analysés sur la base des modèles de Wenzel (1936) et de Cassie-Baxter (1944) relatifs à la théorie du mouillage de surfaces rugueuses. Les résultats expérimentaux et leurs corrélations avec les paramètres de rugosités 3D calculés à différentes échelles ont été traités par une analyse statistique. On observe alors un comportement mixte avec un contact intime de la goutte sur les sommets des aspérités (modèle de Wenzel) et un contact hétérogène (airpolypropylène) à une échelle mésoscopique (état « fakir » décrit par le modèle de Cassie-Baxter). Toutefois, la situation où la goute repose sur le sommet des structures (CB) n’est pas toujours stable. Nous avons étudié la transition de l’état CB à l’état W par des expériences d’évaporation. On observe que cette transition est fortement dépendante de la chimie de surface dont la contribution est prépondérante sur les propriétés d’adhérence métal/PP. En contrôlant cette propriété, il est alors possible de répondre à une problématique industrielle de galvanoplastie (adhérence augmenté par le traitement laser) ou d’électroformage (adhérence faible permettant une réplication de bonne qualité des motifs). / This work presents the potential of a femtosecond laser surface treatment as an alternative step of pretreatments during the metallization of polymer. To do this, the study of chemical and morphological modification induced by femtosecond laser treatment and their respective influences on the properties of adhesion and wettability of polypropylene surface are presented. A literature review highlights the feasibility of a controlled surface modification after femtosecond laser treatment of polypropylene (PP). In addition, it is known that these modifications changes the wetting properties and can be used to meet industrial applications development. After femtosecond laser treatment, the treated surface responds to the solicitation with different morphological comportment according to its intrinsic properties. Experiences of localized impacts and surfaces us to observe three stages of topographic changes to the conditions studied: an incubation phenomenon of accumulation and ablation. The ablation phenomenon is further study. Generally, two linear ablation regime is observed for all power densities examined when considering the depth of ablation as a function of the pulse number and the ablation volume according to the accumulated power density. Finally, we show that the bonds present on the surface after treatment are dependent on two factors: the accumulated power density used and the working environment. Knowing that topographic obtained is multi-scales, the results were analyzed on the basis of models Wenzel (W)(1936) and Cassie–Baxter (CB) (1944) which explain the theory of wetting of rough surfaces. The experimental results and their correlations with 3D roughness parameters calculated at different scales were treated by statistical analysis. We observe a mixed model behavior with intimate contact of the drop on the tops of the asperities (Wenzel model) and a heterogeneous contact (air - PP) in a mesoscopic scale (state " fakir " described by the Cassie -Baxter model). However, this situation where the drop sits on the top of asperities (CB) is not always the most stable. We have studied the transition between the CB state and the W state by evaporation experiments. It is observed that this transition is strongly dependent on the surface chemistry whose contribution is much greater than the adhesion properties metal / PP. If controlling this property, it is possible to obtain two industrial applications: electroplating (increased adhesion by laser treatment) or electroforming (low adherence to replicate the topography).