Theoretical study of the stoichiometric and reduced Ce-Doped TiO2 anatase (001) surfaces

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Complexation between darunavir ethanolate and beta cyclodextrin: experimental and theoretical studies

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

The place of (explicit) grammar within the methods and approaches of foreign language teaching: in the north, in the centre or on the margins?

This article analyzes the role that has been attributed to grammar throughout the history of foreign language teaching, with special emphasis on methods and approaches of the twentieth century. In order to support our argument, we discuss the notion of grammar by proposing a conceptual continuum that includes the main meanings of the term which are relevant to our research. We address as well the issue of "pedagogical grammar" and consider the position of grammar in the different approaches of the "era of the methods" and the current "post-method condition" in the field of language teaching and learning. The findings presented at the end of the text consist of recognizing the central role that grammar has played throughout the history of the methods and approaches, where grammar has always been present by the definition of the contents' progression. The rationale that we propose for this is the recognition of the fact that the dissociation between what is said and how it is said can not be more than theoretical and, thus, artificial.

Collective effects for the LHC injectors: non-ultrarelativistic approaches

The upgrade of the CERN accelerator complex has been planned in order to further increase the LHC performances in exploring new physics frontiers. One of the main limitations to the upgrade is represented by the collective instabilities. These are intensity dependent phenomena triggered by electromagnetic fields excited by the interaction of the beam with its surrounding. These fields are represented via wake fields in time domain or impedances in frequency domain. Impedances are usually studied assuming ultrarelativistic bunches while we mainly explored low and medium energy regimes in the LHC injector chain. In a non-ultrarelativistic framework we carried out a complete study of the impedance structure of the PSB which accelerates proton bunches up to 1.4 GeV. We measured the imaginary part of the impedance which creates betatron tune shift. We introduced a parabolic bunch model which together with dedicated measurements allowed us to point to the resistive wall impedance as the source of one of the main PSB instability. These results are particularly useful for the design of efficient transverse instability dampers. We developed a macroparticle code to study the effect of the space charge on intensity dependent instabilities. Carrying out the analysis of the bunch modes we proved that the damping effects caused by the space charge, which has been modelled with semi-analytical method and using symplectic high order schemes, can increase the bunch intensity threshold. Numerical libraries have been also developed in order to study, via numerical simulations of the bunches, the impedance of the whole CERN accelerator complex. On a different note, the experiment CNGS at CERN, requires high-intensity beams. We calculated the interpolating Hamiltonian of the beam for highly non-linear lattices. These calculations provide the ground for theoretical and numerical studies aiming to improve the CNGS beam extraction from the PS to the SPS.

Social inclusion of vulnerable groups through participatory and emancipatory approaches. Implementing active citizenship and socially innovative actions in the framework of civil & human rights model of disability

The research hypothesis of the thesis is that “an open participation in the co-creation of the services and environments, makes life easier for vulnerable groups”; assuming that the participatory and emancipatory approaches are processes of possible actions and changes aimed at facilitating people’s lives. The adoption of these approaches is put forward as the common denominator of social innovative practices that supporting inclusive processes allow a shift from a medical model to a civil and human rights approach to disability. The theoretical basis of this assumption finds support in many principles of Inclusive Education and the main focus of the hypothesis of research is on participation and emancipation as approaches aimed at facing emerging and existing problems related to inclusion. The framework of reference for the research is represented by the perspectives adopted by several international documents concerning policies and interventions to promote and support the leadership and participation of vulnerable groups. In the first part an in-depth analysis of the main academic publications on the central themes of the thesis has been carried out. After investigating the framework of reference, the analysis focuses on the main tools of participatory and emancipatory approaches, which are able to connect with the concepts of active citizenship and social innovation. In the second part two case studies concerning participatory and emancipatory approaches in the areas of concern are presented and analyzed as example of the improvement of inclusion, through the involvement and participation of persons with disability. The research has been developed using a holistic and interdisciplinary approach, aimed at providing a knowledge-base that fosters a shift from a situation of passivity and care towards a new scenario based on the person’s commitment in the elaboration of his/her own project of life.

Quantitative and qualitative research approaches to assess student well-being

Although there is dissimiliarity in theoretical research approaches to subjective well-being and to assessments of well-being, there is agreement regarding the value of well-being, especially among student populations. In the highly structured, achievement-oriented, non-optimal context of a classroom, individual well-being is a necessary pre-condition for learning. Among student populations well-being should not be construed as an achievement enhancer; but, rather, recognized and measured as an educational value of its own. However, it is necessary for the positive bias towards learning at least in highly structured, achievement-orientated, non-optional learning contexts like school [cf. Hascher, T. (2004). Wohlbefinden in der Schule. Münster: Waxmann]. How can it be measured? Since different research approaches lead to a variety of instruments, the following paper will focus on two ways of assessing well-being in school: a questionnaire on student well-being (N = 2014) 1 and a semi-structured daily diary about relevant emotional situations in school (N = 58, period 3 × 2 weeks). Both methods are introduced and their methodological quality is discussed in terms of reliability, validity and in terms of their usefulness for improving school practice. Furthermore, the research potential of combining quantitative and qualitative data on students’ well-being is addressed.

Comparison of GOCE-GPS gravity fields derived by different approaches

Several techniques have been proposed to exploit GNSS-derived kinematic orbit information for the determination of long-wavelength gravity field features. These methods include the (i) celestial mechanics approach, (ii) short-arc approach, (iii) point-wise acceleration approach, (iv) averaged acceleration approach, and (v) energy balance approach. Although there is a general consensus that—except for energy balance—these methods theoretically provide equivalent results, real data gravity field solutions from kinematic orbit analysis have never been evaluated against each other within a consistent data processing environment. This contribution strives to close this gap. Target consistency criteria for our study are the input data sets, period of investigation, spherical harmonic resolution, a priori gravity field information, etc. We compare GOCE gravity field estimates based on the aforementioned approaches as computed at the Graz University of Technology, the University of Bern, the University of Stuttgart/Austrian Academy of Sciences, and by RHEA Systems for the European Space Agency. The involved research groups complied with most of the consistency criterions. Deviations only occur where technical unfeasibility exists. Performance measures include formal errors, differences with respect to a state-of-the-art GRACE gravity field, (cumulative) geoid height differences, and SLR residuals from precise orbit determination of geodetic satellites. We found that for the approaches (i) to (iv), the cumulative geoid height differences at spherical harmonic degree 100 differ by only ≈10 % ; in the absence of the polar data gap, SLR residuals agree by ≈96 % . From our investigations, we conclude that real data analysis results are in agreement with the theoretical considerations concerning the (relative) performance of the different approaches.

Resolving diffusion in clay minerals at different time scales: Combination of experimental and modeling approaches

Since no single experimental or modeling technique provides data that allow a description of transport processes in clays and clay minerals at all relevant scales, several complementary approaches have to be combined to understand and explain the interplay between transport relevant phenomena. In this paper molecular dynamics simulations (MD) were used to investigate the mobility of water in the interlayer of montmorillonite (Mt), and to estimate the influence of mineral surfaces and interlayer ions on the water diffusion. Random Walk (RW) simulations based on a simplified representation of pore space in Mt were used to estimate and understand the effect of the arrangement of Mt particles on the meso- to macroscopic diffusivity of water. These theoretical calculations were complemented with quasielastic neutron scattering (QENS) measurements of aqueous diffusion in Mt with two pseudo-layers of water performed at four significantly different energy resolutions (i.e. observation times). The size of the interlayer and the size of Mt particles are two characteristic dimensions which determine the time dependent behavior of water diffusion in Mt. MD simulations show that at very short time scales water dynamics has the characteristic features of an oscillatory motion in the cage formed by neighbors in the first coordination shell. At longer time scales, the interaction of water with the surface determines the water dynamics, and the effect of confinement on the overall water mobility within the interlayer becomes evident. At time scales corresponding to an average water displacement equivalent to the average size of Mt particles, the effects of tortuosity are observed in the meso- to macroscopic pore scale simulations. Consistent with the picture obtained in the simulations, the QENS data can be described using a (local) 3D diffusion at short observation times, whereas at sufficiently long observation times a 2D diffusive motion is clearly observed. The effects of tortuosity measured in macroscopic tracer diffusion experiments are in qualitative agreement with RW simulations. By using experimental data to calibrate molecular and mesoscopic theoretical models, a consistent description of water mobility in clay minerals from the molecular to the macroscopic scale can be achieved. In turn, simulations help in choosing optimal conditions for the experimental measurements and the data interpretation. (C) 2014 Elsevier B.V. All rights reserved.

Theoretical and experimental studies of linkage disequilibrium in human populations

Linkage disequilibrium (LD) is defined as the nonrandom association of alleles at two or more loci in a population and may be a useful tool in a diverse array of applications including disease gene mapping, elucidating the demographic history of populations, and testing hypotheses of human evolution. However, the successful application of LD-based approaches to pertinent genetic questions is hampered by a lack of understanding about the forces that mediate the genome-wide distribution of LD within and between human populations. Delineating the genomic patterns of LD is a complex task that will require interdisciplinary research that transcends traditional scientific boundaries. The research presented in this dissertation is predicated upon the need for interdisciplinary studies and both theoretical and experimental projects were pursued. In the theoretical studies, I have investigated the effect of genotyping errors and SNP identification strategies on estimates of LD. The primary importance of these two chapters is that they provide important insights and guidance for the design of future empirical LD studies. Furthermore, I analyzed the allele frequency distribution of 26,530 single nucleotide polymorphisms (SNPs) in three populations and generated the first-generation natural selection map of the human genome, which will be an important resource for explaining and understanding genomic patterns of LD. Finally, in the experimental study, I describe a novel and simple, low-cost, and high-throughput SNP genotyping method. The theoretical analyses and experimental tools developed in this dissertation will facilitate a more complete understanding of patterns of LD in human populations. ^

An Activity Theoretical Approach to Designing Curriculum and Instruction That Shift the Means and Ends of History Education

Reformers want history education to help students learn to engage in historical inquiry, read critically across conflicting sources, and engage in civil discussion of controversial issues. How can we help teachers and students shift the roles, norms, and activity in history classrooms to achieve these aims? An activity-theoretical framework suggests the value of explicitly attending to multiple aspects of human activity when designing and presenting reform-oriented pedagogies or curricula. Such attention increases the odds that teachers who implement new approaches or curriculum will achieve significant shifts in the means and ends of history education.

Territorial approaches for rural development in Latin America : a case study in Chile

Una reciente transición en el campo del desarrollo rural es el movimiento desde un enfoque reducido del sector agrícola hasta uno que adopta una visión territorial más amplia. Este pasaje intenta interpretar las interacciones entre los mundos urbano y rural de una manera más comprensiva. Esta perspectiva teórica relativamente nueva interesa particularmente a los académicos y los políticos en los países latinoamericanos donde, a partir de la mitad de los años noventa, el concepto de una nueva ruralidad se ha visto como la fuente de un nuevo enfoque para el desarrollo rural. Por lo tanto, el propósito teórico de esta investigación es explicitar los indicadores analíticos del nuevo enfoque de la ruralidad en América Latina e identificar las diferencias entre los acercamientos sectoriales y territoriales, considerando los aspectos socio-económicos, institucionales y medioambientales involucrados. La transición del enfoque sectorial a uno territorial significa también, desde un punto de vista operativo, el reconocimiento de la existencia de áreas homogéneas a partir de las cuales pueden proponerse estrategias de desarrollo rural. El propósito operativo de esta investigación consiste en proponer una metodología para identificar estas áreas con una aplicación a la Región del Maule en Chile. La conclusión subraya algunos elementos críticos que se deben considerar en la definición de estrategias del desarrollo rural territorial.

Statistical mechanics approaches to granular media: between micromechanics and macromechanics

The mechanical behavior of granular materials has been traditionally approached through two theoretical and computational frameworks: macromechanics and micromechanics. Macromechanics focuses on continuum based models. In consequence it is assumed that the matter in the granular material is homogeneous and continuously distributed over its volume so that the smallest element cut from the body possesses the same physical properties as the body. In particular, it has some equivalent mechanical properties, represented by complex and non-linear constitutive relationships. Engineering problems are usually solved using computational methods such as FEM or FDM. On the other hand, micromechanics is the analysis of heterogeneous materials on the level of their individual constituents. In granular materials, if the properties of particles are known, a micromechanical approach can lead to a predictive response of the whole heterogeneous material. Two classes of numerical techniques can be differentiated: computational micromechanics, which consists on applying continuum mechanics on each of the phases of a representative volume element and then solving numerically the equations, and atomistic methods (DEM), which consist on applying rigid body dynamics together with interaction potentials to the particles. Statistical mechanics approaches arise between micro and macromechanics. It tries to state which the expected macroscopic properties of a granular system are, by starting from a micromechanical analysis of the features of the particles and the interactions. The main objective of this paper is to introduce this approach.

Improvement of theoretical storm characterization for different climate conditions

The different theoretical models related with storm wave characterization focus on determining the significant wave height of the peak storm, the mean period and, usually assuming a triangle storm shape, their duration. In some cases, the main direction is also considered. Nevertheless, definition of the whole storm history, including the variation of the main random variables during the storm cycle is not taken into consideration. The representativeness of the proposed storm models, analysed in a recent study using an empirical maximum energy flux time dependent function shows that the behaviour of the different storm models is extremely dependent on the climatic characteristics of the project area. Moreover, there are no theoretical models able to adequately reproduce storm history evolution of the sea states characterized by important swell components. To overcome this shortcoming, several theoretical storm shapes are investigated taking into consideration the bases of the three best theoretical storm models, the Equivalent Magnitude Storm (EMS), the Equivalent Number of Waves Storm (ENWS) and the Equivalent Duration Storm (EDS) models. To analyse the representativeness of the new storm shape, the aforementioned maximum energy flux formulation and a wave overtopping discharge structure function are used. With the empirical energy flux formulation, correctness of the different approaches is focussed on the progressive hydraulic stability loss of the main armour layer caused by real and theoretical storms. For the overtopping structure equation, the total volume of discharge is considered. In all cases, the results obtained highlight the greater representativeness of the triangular EMS model for sea waves and the trapezoidal (nonparallel sides) EMS model for waves with a higher degree of wave development. Taking into account the increase in offshore and shallow water wind turbines, maritime transport and deep vertical breakwaters, the maximum wave height of the whole storm history and that corresponding to each sea state belonging to its cycle's evolution is also considered. The procedure considers the information usually available for extreme waves' characterization. Extrapolations of the maximum wave height of the selected storms have also been considered. The 4th order statistics of the sea state belonging to the real and theoretical storm have been estimated to complete the statistical analysis of individual wave height

Approaches Regarding the Competition in Romanian Sugar Market

This paper proposes an economic instrument designed to assess the competitive nature of the sugar industry in Romania. In the first part of the paper is presented the theoretical background underlying index (HHI) and its calculation methodology. Then comes the results of a first application of this index for a total of 10 plants in the sugar industry, the robustness of these results is discussed. We believe HHI is a proactive tool that may prove useful competition authority, in its pursuit of continuous monitoring of various industries in the economy and in the internal decision-making on resource allocation institution (Peacock, and Prisecaru, 2013).The starting point of our research is to free competition in the European market with competitors much stronger than Romanian plants, plants that produce at a price lower than the domestic ones. In our study we will see if it is a concentration of production in factories around the strongest in Romania, concentration accompanied by the collapse of those who could not resist the market.The market concentration, competition policy, we will follow using the HHI index, for evaluation of impact analysis on existing trade, the number and size of competitors, protecting existing sales structures, avoiding disruptions in the competitive environment, etc.

The evolution of mass tourism destinations: new approaches beyond deterministic models in Benidorm (Spain)

Although deterministic models of the evolution of mass tourism coastal resorts predict an almost inevitable decline over time, theoretical frameworks of the evolution and restructuring policies of mature destinations should be revised to reflect the complex and dynamic way in which these destinations evolve and interact with the tourism market and global socio-economic environment. The present study examines Benidorm because its urban and tourism model and large-scale tourism supply and demand make it one of the most unique destinations on the Mediterranean coast. The investigation reveals the need to adopt theories and models that are not purely deterministic. The dialectic interplay between external factors and the internal factors inherent in this destination simultaneously reveals a complex and diverse stage of maturity and the ability of destinations to create their own future.