Aplicações de um potencial reativo no estudo da interação entre moléculas e superfícies bidimensionais

In materials science, the search for technological improvements have become one of the main subject of study of researchers. This is especially true in the case of materials with reduced sizes, in the nanometer scale. Important phenomena to be studied in these cases are the desorption and adsorption on two-dimensional materials, such as graphene. These phenomena are of great importance in the study of interactions between organic films, synthesis or catalysis of reactions on surfaces and even in the creation of nanoscale devices [1, 2, 3, 4]. Between the most important topics related to these phenomena are the storage of gases in low-dimensional systems and the study of nanostructured fuel cells or batteries. In this context we used two different parametrizations for the reactive force field ReaxFF to study the potential barriers and reaction barriers of our system. First we made a study about the Reaction Barriers and Energy Barriers for bonds between graphene and the following atoms: sulfur, fluorine, hydrogen, nitrogen and oxygen. It is important to have this information in order to make it possible to understand how these atoms react with the graphene sheet. Subsequently, we calculate reaction barriers for mixed structures where fluorine is a fixed element bonded to graphene and other element is simultaneously bonded to graphene. This other element (N, O, H or S) is varied in its possible relative positions (ortho, meta and para in relation to fluorine in either: the same side and in the opposite side of the graphene membrane)

Aspectos tecnológicos dos substitutos de gordura e suas aplicações em produtos lácteos

The consumption of fat related to the incidence of diseases has motivated the development of food with less or even no fat. However, fat is important for the full functioning of the human body and sensory characteristics of food. Therefore, making food with little or no fat and at the same time maintaining the desired quality is a challenge for the industry. Fat substitutes were created to achieve this objective. Fat substitutes can be more effective in their applications when mixtures of different types of them are used. The number and variety of these ingredients are still growing, expanding options of choice when a fat substitute is required in a certain type of food. Considering the importance of fat substitutes nowadays, this paper presents an overview of functions and implications of fats in the human body and food, the terminology used to refer to fat substitutes, the categories of different types of fat substitutes available in the market and their applications in dairy products.

Uso de redes neurais com adaptação de pesos por modos deslizantes para controle de sistemas e aplicações em máquinas elétricas

Pós-graduação em Engenharia Elétrica - FEIS

Transmissão indutiva de energia eletromagnética sem fios, para aplicações em postos de abastecimento de veículos elétricos puros: modelação para o elemento eletromagnético

Pós-graduação em Engenharia Elétrica - FEIS

Métodos Semi-Empíricos: princípios básicos e aplicações

Pós-graduação em Física - IGCE

Métodos de coleta de deposição para ensaios de deriva em aplicações aéreas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Redes dinâmicas de sensores sem fio ZigBee para aplicações de monitoramento e controle

Pós-graduação em Engenharia Elétrica - FEB

Sobre certas teorias de cohomologia de grupos e aplicações

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

Estudo das aplicações das variedades de um quartzo-sienito com hiperstênio, como rochas ornamentais, com auxílio da caracterização tecnológica e das análises de cor e imagem

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estudos de técnicas de reinicialização em métodos level-set e suas aplicações em escoamentos bifásicos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Posicionamento por ponto preciso com solução de ambiguidades inteiras no contexto de rede GPS

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Inteligência cibernética e uso de recursos semânticos na detecção de perfis falsos no contexto do Big Data

Pós-graduação em Ciência da Informação - FFC

Estudo da resistência à corrosão de ligas Ni-Cr-Mo-Ta E Ni-Cr-Mo-W em solução NaF 0,08 mol/L, pH 4,7 para aplicações odontológicas

A large number of metal alloys are used in Dentistry for the manufacture of fixed and removable dentures. In the oral cavity, these structures are exposed to a chemically aggressive medium, like saliva and mechanical efforts, like mastication. In addition, acidic solutions containing fluoride ions are also frequently used in dental treatments to prevent dental plates and decays development. In this context, it was considered important to investigate the influence that a fourth element could exert when added to the ternary alloy Ni-Cr-Mo, largely used in Brazil. Therefore, electrochemical tests were done to evaluate the resistance to corrosion of quaternary alloy 65Ni-25Cr-5Mo-5Ta and 65Ni-25Cr-5Mo-5W in NaF solution 0,08mol / L, pH = 4.7. For greater understanding the microstructure and morphology of alloys were studied, through metallographic analysis, using optics microscopy and electron microscopy scanning. For the electrochemical tests were applied techniques traditionally used in corrosion researches, such as: potential measures in open circuit (OCP) and cyclic polarization (CP). It was found that both quaternary alloys showed very similar results. Comparing these quaternary alloys with the ternary 65Ni-25Cr-10Mo, it was found that the quaternary alloys exhibit greater resistance to corrosion, in other words, less passivation current density than the ternary alloy, showing that it is advantageous to add a fourth element in the alloy

Inteligência cibernética e uso de recursos semânticos na detecção de perfis falsos no contexto do Big Data

Pós-graduação em Ciência da Informação - FFC

Estudo da resistência à corrosão de ligas Ni-Cr-Mo-Ta E Ni-Cr-Mo-W em solução NaF 0,08 mol/L, pH 4,7 para aplicações odontológicas

A large number of metal alloys are used in Dentistry for the manufacture of fixed and removable dentures. In the oral cavity, these structures are exposed to a chemically aggressive medium, like saliva and mechanical efforts, like mastication. In addition, acidic solutions containing fluoride ions are also frequently used in dental treatments to prevent dental plates and decays development. In this context, it was considered important to investigate the influence that a fourth element could exert when added to the ternary alloy Ni-Cr-Mo, largely used in Brazil. Therefore, electrochemical tests were done to evaluate the resistance to corrosion of quaternary alloy 65Ni-25Cr-5Mo-5Ta and 65Ni-25Cr-5Mo-5W in NaF solution 0,08mol / L, pH = 4.7. For greater understanding the microstructure and morphology of alloys were studied, through metallographic analysis, using optics microscopy and electron microscopy scanning. For the electrochemical tests were applied techniques traditionally used in corrosion researches, such as: potential measures in open circuit (OCP) and cyclic polarization (CP). It was found that both quaternary alloys showed very similar results. Comparing these quaternary alloys with the ternary 65Ni-25Cr-10Mo, it was found that the quaternary alloys exhibit greater resistance to corrosion, in other words, less passivation current density than the ternary alloy, showing that it is advantageous to add a fourth element in the alloy