Developing descriptors to predict mechanical properties of nanotubes

Descriptors and quantitative structure property relationships (QSPR) were investigated for mechanical property prediction of carbon nanotubes (CNTs). 78 molecular dynamics (MD) simulations were carried out, and 20 descriptors were calculated to build quantitative structure property relationships (QSPRs) for Young's modulus and Poisson's ratio in two separate analyses: vacancy only and vacancy plus methyl functionalization. In the first analysis, C N2/CT (number of non-sp2 hybridized carbons per the total carbons) and chiral angle were identified as critical descriptors for both Young's modulus and Poisson's ratio. Further analysis and literature findings indicate the effect of chiral angle is negligible at larger CNT radii for both properties. Raman spectroscopy can be used to measure CN2/C T, providing a direct link between experimental and computational results. Poisson's ratio approaches two different limiting values as CNT radii increases: 0.23-0.25 for chiral and armchair CNTs and 0.10 for zigzag CNTs (surface defects <3%). In the second analysis, the critical descriptors were CN2/CT, chiral angle, and MN/CT (number of methyl groups per total carbons). These results imply new types of defects can be represented as a new descriptor in QSPR models. Finally, results are qualified and quantified against experimental data. © 2013 American Chemical Society.

Improving methods in gap ecology: Revisiting size and shape distributions using a model selection approach

Questions: We assess gap size and shape distributions, two important descriptors of the forest disturbance regime, by asking: which statistical model best describes gap size distribution; can simple geometric forms adequately describe gap shape; does gap size or shape vary with forest type, gap age or the method used for gap delimitation; and how similar are the studied forests and other tropical and temperate forests? Location: Southeastern Atlantic Forest, Brazil. Methods: Analysing over 150 gaps in two distinct forest types (seasonal and rain forests), a model selection framework was used to select appropriate probability distributions and functions to describe gap size and gap shape. The first was described using univariate probability distributions, whereas the latter was assessed based on the gap area-perimeter relationship. Comparisons of gap size and shape between sites, as well as size and age classes were then made based on the likelihood of models having different assumptions for the values of their parameters. Results: The log-normal distribution was the best descriptor of gap size distribution, independently of the forest type or gap delimitation method. Because gaps became more irregular as they increased in size, all geometric forms (triangle, rectangle and ellipse) were poor descriptors of gap shape. Only when small and large gaps (> 100 or 400m2 depending on the delimitation method) were treated separately did the rectangle and isosceles triangle become accurate predictors of gap shape. Ellipsoidal shapes were poor descriptors. At both sites, gaps were at least 50% longer than they were wide, a finding with important implications for gap microclimate (e.g. light entrance regime) and, consequently, for gap regeneration. Conclusions: In addition to more appropriate descriptions of gap size and shape, the model selection framework used here efficiently provided a means by which to compare the patterns of two different types of forest. With this framework we were able to recommend the log-normal parameters μ and σ for future comparisons of gap size distribution, and to propose possible mechanisms related to random rates of gap expansion and closure. We also showed that gap shape varied highly and that no single geometric form was able to predict the shape of all gaps, the ellipse in particular should no longer be used as a standard gap shape. © 2012 International Association for Vegetation Science.

Efeitos da compensação série na capacidade de sincronização em sistemas multimáquinas

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Temperatura e osmocondicionamento na germinação de sementes de Urochloa brizantha (STAPF) Webster cv. Basilisk

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudos éticos em representação do conhecimento: uma análise da questão feminina em linguagens documentais brasileiras

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Avaliação de linguagem documentária em fonoaudiologia na perspectiva do usuário: estudo de observação da recuperação da informação com protocolo verbal

Pós-graduação em Ciência da Informação - FFC

Precisão e complexidade gramatical na avaliação da proficiência oral do (futuro) professor de inglês como língua estrangeira

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Atividades físicas de aventura na escola: uma proposta nas três dimensões do conteúdo

Pós-graduação em Ciências da Motricidade - IBRC

Efeito das técnicas de desinfecção sobre a dureza e rugosidade superficial dos materiais reembasadores

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

Projetos de controladores baseados em LMI usando realimentação da derivada dos estados

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudo do coeficiente de difusão no enovelamento de proteína

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Caracterização de germoplasma de pupunha (Bactris gasipaes Kunth) por descritores morfológicos

Pós-graduação em Agronomia (Genética e Melhoramento de Plantas) - FCAV

Rank Aggregation for Pattern Classifier Selection in Remote Sensing Images

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Desenvolvimento de aplicações Web com base em modelagem 3D: módulo Android

This project brings the development of an Android application which will allow users to access 3D models on web. The application developed allows Android devices to access web pages which have code that should use OPENGL to renderize. To demonstrate this functionality, an example web application was build, using technologies such as X3DOM and HTML5, which uses WebGL to get renderized. This web application gives to the user an environment of a virtual city, where he could surf by and interact with the objects. The Android application brings this immersion to the mobile world, also. The access and storage of data was developed a Webserver, which bring to the web application a simple API to give access to the database

Efeitos de diferentes estímulos auditivos musicais sobre a regulação autonômica cardíaca

Pós-graduação em Fisioterapia - FCT