Editorial for thematic series: XIII meeting of the Brazilian Materials Research Society, Symposium A: functional hybrid interfaces - from characterization to applications

This special issue contains selected articles related to oral contributions presented at the XIII Meeting of the Brazilian Materials Research Society (SBPMat 2014) within the Symposium A: Functional hybrid interfaces - from characterization to applications, held in João Pessoa, Brazil, during September 28th through October 2nd, 2014. This symposium hosted by SBPMat was organized by Welchy Leite Cavalcanti from Fraunhofer IFAM, Andréia Luísa da Rosa from Federal University of Minas Gerais (UFMG), André Avelino Pasa from Federal University of Santa Catarina (UFSC), and Silvio de Barros from Federal Center of Technological Education Celso Suckow da Fonseca (CEFET-RJ), and it was supported by the Brazilian Society of Adhesion and Adhesives (ABAA). The main focus was on design, control and characterization of hybrid polymer/solid state materials aiming at applications in optoelectronics, coatings and adhesives. Within the symposium, theoreticians and experimentalists discussed the present state of the art in the field and future trends. Diverse oral and poster contributions were presented by researchers from numerous universities, institutes and research centers. It may be highlighted that symposium A hosted various remarkable presentations by young researchers and - among them - several contributions which were at least partly supported within the program Science without Borders (Ciência sem Fronteiras) coordinated by CAPES (Coordination of Improvement of Higher Education Personnel), CNPq (National Counsel of Technological and Scientific Development) and DAAD (German Academic Exchange Service).In order to disseminate the interdisciplinary and international work presented within Symposium A of the XIII Brazilian MRS Meeting, six contributions were selected along with the value added chain ranging from research and development towards applications of modern adhesion science. The papers were prepared and submitted to a peer review, and they result in the present Special Issue of AAS which accentuates mainly threefold strands leading to innovative adhesive joints. First physical, chemical and even biologically based processes for building functional adherents and surfaces are addressed, second the development of novel reactive polymers incorporating atmospheric carbon dioxide, and third the investigation of interactions between solid surfaces and polymers or ambient factors. Within, the addressed threefold strands, computer-supported design of reactive monomers and the arising polymers, quality assurance during the manufacture of functional surfaces and adhesive joints, and finally the implication of effective repair solutions are illustrated.In the first article, Scholtz et al. introduce the energy-efficient manufacture of crystalline, doped titania films using grid assisted magnetron sputtering. Moraes Lopes de Jesus et al. present strongly adhering and abrasion-resistant superhydrophilic titania/silica composite films applying a simple sol–gel route. Ureña et al. report on the adsorption properties of titania-terminated surfaces in contact with aqueous solutions of antimicrobial peptides following a bio-inspired polymer synthesis. In a fourth paper, Carrillo Beber et al. demonstrate the performance of computer-based Molecular Dynamics simulations when identifying highly active catalysts for the synthesis of cyclic carbonate monomers resulting from the fixation of carbon dioxide in epoxy rings. Brune et al. introduce an approach for Extended Non-Destructive Testing (ENDT) facilitating quality assurance already during the manufacture process of functional coatings or adhesive joints, e.g. based on carbon-fibre reinforced polymers (CFRP). Finally, Nogueira Chagas and Farias Moita display effective engineering strategies for the rehabilitation of damaged masonry structures using CFRP and glass-fibre reinforced polymers (GFRP) and a multi-layer adhesive bonding system.The editorial and review process for this Special Issue of Applied Adhesion Science permitted to join the well-founded theoretical and experimental work of the authors to provide a widened view on present technological progress especially related to phenomena of adhesion and adhesives in biomedical areas and for environmentally compatible applications. I express my thankfulness and compliments towards the authors for their proficient and swift work, towards the reviewers for providing profound and rapid evaluations of the manuscripts, and towards the editor in chief, Silvio de Barros, for the kind and supporting cooperation

Polímeros com interações atrativas na rede de Husimi

Dissertação (Mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Curso de Pós-Graduação em FísicaPolímeros têm sido estudados com sucesso através de modelos que os representam por caminhadas auto e mutuamente excludentes numa rede. Um dos fenômenos interessantes que ocorrem em sistemas poliméricos é a chamada transição de colapso, na qual a cadeia passa de uma fase estendida para uma configuração mais compacta. Essa transição de colapso, identificada com o ponto , pode ser provocada por interações atrativas nos modelos utilizados para o estudo de polímeros. Foi obtida, para uma rede de Husimi construída com quadrados, a solução de um modelo polimérico com interações atrativas entre monômeros e entre ligações

Data Technology in Materials Modelling

This open access book discusses advances in semantic interoperability for materials modelling, aiming at integrating data obtained from different methods and sources into common frameworks, and facilitating the development of platforms where simulation services in computational molecular engineering can be provided as well as coupled and linked to each other in a standardized and reliable way. The Virtual Materials Marketplace (VIMMP), which is open to all service providers and clients, provides a framework for offering and accessing such services, assisting the uptake of novel modelling and simulation approaches by SMEs, consultants, and industrial R&D end users. Semantic assets presented include the EngMeta metadata schema for research data infrastructures in simulation-based engineering and the collection of ontologies from VIMMP, including the ontology for simulation, modelling, and optimization (OSMO) and the VIMMP software ontology (VISO)

Simulações de Monte Carlo para o crescimento de superfícies eletrodepositadas

Tese (doutorado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Programa de Pós-Graduação em Física.O propósito deste trabalho é apresentar modelos teóricos para estudar a dinâmica e a morfologia de estruturas formadas através de processos de eletrodeposição. Para descrever a formação dos depósitos obtidos por esses modelos são utilizadas simulações de Monte Carlo, e conceitos de escala são empregados na caracterização de suas propriedades de crescimento e rugosidade. O primeiro modelo estudado teve como objetivo o entendimento da formação de textura em um processo de eletrodeposição. Considera-se a deposição aleatória de partículas com uma orientação escolhida dentro de um conjunto discreto de direções possíveis. O outro modelo desenvolvido neste trabalho é dedicado à descrição do processo de eletrodeposição, dando-se ênfase ao processo de nucleação instantânea onde foi possível obter transientes de corrente em função do tempo e também voltamogramas típicos aos obtidos experimentalmente. Para ambos os modelos estudados foi possível determinar os expoentes de rugosidade a, de crescimento b e o dinâmico z que estão de acordo com a relação de escala de Family-Vicsek

On the use of the scanning Kelvin probe for assessing in situ the delamination of adhesively bonded joints

Many industries nowadays rely on the adhesive bonding technology for their success, most notably aerospace, automotive, construction, and the electronics industry. The main advantages of the adhesives are their ability to bond dissimilar materials and the more efficient load transfer in comparison to other joining methods. Several industrial applications request the adhesive joint to with standloads under different environmental conditions such as high moisture, and extreme temperatures. Thus, predicting the lifetime of adhesively bonded joints under moist environments is crucial to support tailoring the properties for the respective application demand. Relevant effects of water in adhesively bonded components may be strength degradation and introduction of stresses. Knowing the behaviour of the water in adhesive joints may contribute to directing the design of bonded components, lead to greater confidence and increase the use of adhesives in the industry. This work presents a novel application for the scanning Kelvin probe (SKP) on the assessment of the delamination processes of adhesively bonded joints. In situ scanning kelvin probe studies of the local interfacial potentials at buried glass/polymer/oxide/metal interfaces of real closed joint geometries are performed using similar approach as in the study of delamination of coatings [1].The potential difference distribution is measured time-dependent in order to obtain information about the delamination kinetics. After the removal of the adhesive layer the interfacial ion distribution was analysed by means of X-rayphotoelectron spectroscopy (XPS)

Applicability evaluation of a laser light-mater interaction based computational tool on status tdentification of applied micro-structured coatings

The current work aims at evaluating a proposed method based on a computational tool developed using Object-Oriented Programming to identify the status of micro-structured surfaces. In this case, these are micro-structured coatings with riblet microstructure developed by Fraunhofer Institute–IFAM, by building a graphical reproduction of the analyzed surface and calculating an expected laser reflection intensity acquired by a laser sensor device, the proposed method is assessed by using the simplest case: a flat surface, and an optimal case: an intact riblet surface. The results corroborate the calculations to be applied to further steps from more complex cases of degradation and to diverse riblets geometries. Based on Huygens-Fresnel and Fraunhofer diffraction theories, the calculations developed and demonstrated in this paper improved the nondestructive tests to support the status identification of the microstructured coatings, e.g. riblet structures based on shark skin used in shipping and aerospace industries. This work is assured required quality of the riblet coating identifying the number of structures and expected geometry using implemented calculations to foresee the laser reflection intensity acquired by a laser sensor device with 3 detectors, for instance, a riblet structure could be graphically reproduced, analyzed and completely identified based on the application of the theoretical optics applied on this work