984 resultados para Spacially separated polarons


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Mémoire numérisé par la Division de la gestion de documents et des archives de l'Université de Montréal

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We have carried out symmetrized density-matrix renormalization-group calculations to study the nature of excited states of long polyacene oligomers within a Pariser-Parr-Pople Hamiltonian. We have used the C-2 symmetry, the electron-hole symmetry, and the spin parity of the system in our calculations. We find that there is a crossover in the lowest dipole forbidden two-photon state and the lowest dipole allowed excited state with size of the oligomer. In the long system limit, the two-photon state lies below the lowest dipole allowed excited state. The triplet state lies well below the two-photon state and energetically does not correspond to its description as being made up of two triplets. These results are in agreement with the general trends in linear conjugated polymers. However, unlike in linear polyenes wherein the two-photon state is a localized excitation, we find that in polyacenes, the two-photon excitation is spread out over the system. We have doped the systems with a hole and an electron and have calculated the charge excitation gap. Using the charge gap and the optical gap, we estimate the binding energy of the 1(1)B(-) exciton to be 2.09 eV. We have also studied doubly doped polyacenes and find that the bipolaron in these systems, to be composed of two separated polarons, as indicated by the calculated charge-density profile and charge-charge correlation function. We have studied bond orders in various states in order to get an idea of the excited state geometry of the system. We find that the ground state, the triplet state, the dipole allowed state, and the polaron excitations correspond to lengthening of the rung bonds in the interior of the oligomer while the two-photon excitation corresponds to the rung bond lengths having two maxima in the system.

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Adolescents are indeed bothered by the complexities of the present and future and are concerned with making sense out of the multiple demands of parents, teachers, and peers while trying to develop identities as autonomous individuals. In this confused world, contemporary school science does not fit their view of desirable world as evident in the findings of the ROSE study. However, there are bright spots where teachers, community, parents and youth do engage with STEM. This paper will report on initiatives drawn from a decade of research in schools that have attempted to reconcile the interests of youth and the contemporary world of science. The aim is to identify those factors that do stimulate student interest. These case studies were conducted generally using both qualitative and quantitative data and findings analysed in terms of program outcomes and student engagement. The key finding is that the formation of relationships and partnerships in which students have high degree of autonomy and sense of responsibility is paramount to positive dispositions towards STEM. The findings raise some hope that innovative schools and partnerships can foster innovation and connect youth with the real world.

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Data collected at Canadian public housing estates in eastern Ontario are used here to analyze two hypotheses. Overall these women report more violence than do otherwise situated women in other general surveys. More specifically, complex theoretical models were designed to generate two hypotheses for further analysis: First, that separated/divorced women are more likely to be abused within public housing than married women. Second, that cohabiting women will report violence victimization at a higher rate than separated, divorced, or married women. Some support for both hypotheses were found, and the theoretical models are used to discuss these findings.

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Background: Young people whose parents are separated or divorced form a significant and increasing proportion of young people who attend school. To date, empirical research with young people whose parents are separated or divorced has tended to focus on either their household context, or their school context, rather than on both contexts together. This paper redresses this singular focus by examining the intersection of the experiences of young people at both home and school. Purpose: The paper seeks to map the empirical evidence of young people's home and school experiences as they move between households and schools. Sources of evidence: The paper provides a narrative review of the literature from the 1990s to the present, locating Australian research within an international context. The review is framed by four main questions. What is the impact upon young people of the family transitions that occur when parents separate or divorce? What is the everyday impact upon young people of moving between one household and another? What does the research reveal regarding educational, social and emotional outcomes for this group? What does the research reveal regarding their school experiences? Main argument: The review reveals a paucity of Australian research at the intersection of home and school. It shows that, while young people from these contexts form a growing proportion of the school population, there is little empirical evidence of what is actually occurring in their everyday lives. The review reveals the importance of researching from the perspectives of the young people themselves. Conclusions: Evidence provided in the paper shows that many young people whose parents separate or divorce are affected socially, emotionally and educationally. Such evidence points to the need for research into the everyday experiences of the young people at school, in order to identify, from their perspective, how schools can better cater for these young people and their families.

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The formation of vertically aligned, clearly separated, copper-capped carbon nanocones with a length of up to 500 nm and base diameter of about 150 nm via three-stage process involving magnetron sputtering, N2 plasma treatment, and CH4 + N2 plasma growth is studied. The width of gaps between the nanocones can be controlled by the gas composition. The nanocone formation mechanism is explained in terms of strong passivation of carbon in narrow gaps, where the access of plasma ions is hindered and the formation of large Cn H2n+2 molecules is possible. This plasma-enabled approach can be used to fabricate nanoelectronic, nanofluidic, and optoelectronic components and devices. © 2010 American Institute of Physics.

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The study investigated the school experiences of girls whose parents are separated or divorced. The case study, conducted in a metropolitan, all-girls Catholic school in Brisbane, drew upon theoretical understandings from childhood studies and children's rights to reveal the school experiences of participants, from their own perspectives. Findings showed that students express emotions about their families while at school, are active agents in their own learning, and seek teachers' understanding of their situation, while respecting their family's privacy. The research points to the need for strengths-based, resilience-building strategies in schools, for an inclusive culture of respect for family diversity, and for understanding of students' transitions between households and family types.

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WHEN the water in the living room of Steven and Sandra Matthews's home reached ankle deep on Monday, they began to discuss how to save their furniture...

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Two backward facing step (2 mm and 3 mm step height) models are selected for surface heat transfer measurements. The platinum thin film gauges are deposited on the Macor inserts using both hand paint and vacuum sputtering technique. Using the Eckert reference temperature method the heating rates has been theoretically calculated along the flat plate portion of the model and the theoretical estimates are compared with experimentally determined surface heat transfer rate. Theoretical analysis of heat flux distribution down stream of the backward facing step model has been carried out using Gai’s non-dimensional analysis. Based on the measured surface heating rates on the backward facing step, the reattachment distance is estimated for 2 and 3 mm step height at nominal Mach number of 7.6. It has been found from the present study that for 2 and 3 mm step height, it approximately takes about 10 and 8 step heights downstream of the model respectively for the flow to re-attach.

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The identification of sequence (amino acids or nucleotides) motifs in a particular order in biological sequences has proved to be of interest. This paper describes a computing server, SSMBS, which can locate anddisplay the occurrences of user-defined biologically important sequence motifs (a maximum of five) present in a specific order in protein and nucleotide sequences. While the server can efficiently locate motifs specified using regular expressions, it can also find occurrences of long and complex motifs. The computation is carried out by an algorithm developed using the concepts of quantifiers in regular expressions. The web server is available to users around the clock at http://dicsoft1.physics.iisc.ernet.in/ssmbs/.

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Sequence motifs occurring in a particular order in proteins or DNA have been proved to be of biological interest. In this paper, a new method to locate the occurrences of up to five user-defined motifs in a specified order in large proteins and in nucleotide sequence databases is proposed. It has been designed using the concept of quantifiers in regular expressions and linked lists for data storage. The application of this method includes the extraction of relevant consensus regions from biological sequences. This might be useful in clustering of protein families as well as to study the correlation between positions of motifs and their functional sites in DNA sequences.

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The paper proposes a time scale separated partial integrated guidance and control of an interceptor for engaging high speed targets in the terminal phase. In this two loop design, the outer loop is an optimal control formulation based on nonlinear model predictive spread control philosophies. It gives the commanded pitch and yaw rates whereas necessary roll-rate command is generated from a roll-stabilization loop. The inner loop tracks the outer loop commands using the dynamicinversion philosophy. However, unlike conventional designs, in both the loops the Six degree of freedom (Six-DOF) interceptor model is used directly. This intelligent manipulation preserves the inherent time scale separation property between the translational and rotational dynamics, and hence overcomes the deficiency of current IGC designs, while preserving its benefits. Six-DOF simulation studies have been carried out accounting for three dimensional engagement geometry. Different comparison studies were also conducted to measure the performance of the algorithm.

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The coupling of surface acoustic waves propagating in two separated piezoelectric media is studied using the perturbation theory of Auld. The results of the analysis are applied to two configurations using Bi12GeO20 and CdS crystals. It is found that the loss due to coupling is about 7 dB at 50 MHz in the cases of (111)-cut, [110]-prop. Bi12GeO20 and Y-cut, 60°-X prop. CdS combination. On étudie le couplage des ondes acoustiques de surface se propageant sur deux milieux piezo-eléctriques par la théorie de perturbation de Auld. Les resultats d'analyse sont appliqué's aux deux configurations des cristanx Bi12GeO20 et CdS. On trouve que la perte par couplage est environ de 7 dB a 50 MHz dans le cas de combination de (111)-coupe, [110]-prop. Bi12GeO20 et Y-coupe, 60°-X prop. CdS.

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The conductivity of highly doped polypyrrole is less than that of intermediately doped samples, by two orders of magnitude, at 4.2 K. This may be due to more number of bipolarons in highly doped samples. Bipolarons require four times more activation energy than single polarons to hop by thermally induced virtual transitions to intermediate dissociated polaron states than by the nondissociated process. The conduction process in these polyconjugated systems involve ionization from deep trapped states, having a View the MathML source dependence, hopping from localised states, having View the MathML source dependence, and intersite tunnel percolation, having T−1 dependence. The interplay of these factors leads to a better fit by View the MathML source. The mechanism for this exponential behaviour need not be same as that of Motts variable range hopping. Conduction by percolation is possible, if an infinite cluster of chains can be connected by impurity centers created by dopant ions. The tendency for the saturation of conductivity at very low temperatures is due to the possibility of intersite tunnel percolation is disordered polaronic systems.

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Studies related to cavitation inception process in separated flows are reported. Experimental observations of bubble appearance in grooves with laminar or turbulent boundary layer over them have clearly shown that gaseous diffusion process is significantly enhanced in turbulent flow. This process can lead to local nuclei size modification in environment similar to that of flow over a groove, like laminar separation "bubbles." Cavitation inception modeling including this aspect is carried out for predicting inception conditions associated with "bubble-ring" cavitation commonly observed on hemispherically nosed axisymmetric body. Qualitative dependence of predicted inception numbers with velocity is found to agree very well with experimental observations of Carroll (1981).