Theoretical studies of liquids by computer simulations: the water-acetone mixture.

Monte Carlo simulation results for pure liquid acetone and water-acetone mixtures calculated in the isothermal and isobaric (NPT) ensemble at T=298K and p=1.0atm are presented. The TIP4P model was used for water and optimized potential for liquid simulation (OPLS) force field parameters used for acetone. The results obtained for the average configurational energy as a function of the mole fraction are in good accord with experimental data. Energy partitioning and co-ordination numbers results calculated for equimolar water-acetone solution are compared to similar data obtained for other water-organic liquid mixtures. These results show an increase in water-water interaction energy and co-ordination numbers when the interaction between water and organic liquid molecules decrease. Distribution functions for pure liquid acetone and water-acetone mixtures are presented. Dipole-dipole angular correlation functions obtained for pure liquid acetone show a predominance of dimers with parallel alignment of dipole moments. Radial distribution functions from water-acetone interaction show characteristic features of hydrogen bonded liquids. Radial and angular distribution functions for water-water correlation calculated in pure water and in equimolar water-acetone mixture are compared, showing very similar features in both systems. (C) 1999 Elsevier B.V. B.V. All rights reserved.

Real-time monitoring and kinetic parameter estimation of the affinity interaction of jArtinM and rArtinM with peroxidase glycoprotein by the electrogravimetric technique

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

Interaction of pulses in the nonlinear Schrödinger model

A study was conducted on the interaction of two pulses in the nonlinear Schrodinger (NLS) model. The presence of different scenarios of the behavior depending on the initial parameters of the pulses, such as the pulse areas, the relative phase shift, the spatial and frequency separations were shown. It was observed that a pure real initial condition of the NLS equation can result in additional moving solitons.

Integrating interaction resources in the graphics clusters

This paper aims to describe the basic concepts and necessary for Java programs can invoke libraries of programming language C/C ++, through the JNA API. We used a library developed in C/C ++ called Glass [8], which offers a solution for viewing 3D graphics, using graphics clusters, reducing the cost of viewing. The purpose of the work is to interact with the humanoid developed using Java, which makes movements of LIBRAS language for the deaf, as Glass's, so that through this they can view the information using stereoscopic multi-view in full size. ©2010 IEEE.

Interaction between wave and coastal structure: Validation of two lagrangian numerical models with experimental results marine 2011

Numerical modeling of the interaction among waves and coastal structures is a challenge due to the many nonlinear phenomena involved, such as, wave propagation, wave transformation with water depth, interaction among incident and reflected waves, run-up / run-down and wave overtopping. Numerical models based on Lagrangian formulation, like SPH (Smoothed Particle Hydrodynamics), allow simulating complex free surface flows. The validation of these numerical models is essential, but comparing numerical results with experimental data is not an easy task. In the present paper, two SPH numerical models, SPHysics LNEC and SPH UNESP, are validated comparing the numerical results of waves interacting with a vertical breakwater, with data obtained in physical model tests made in one of the LNEC's flume. To achieve this validation, the experimental set-up is determined to be compatible with the Characteristics of the numerical models. Therefore, the flume dimensions are exactly the same for numerical and physical model and incident wave characteristics are identical, which allows determining the accuracy of the numerical models, particularly regarding two complex phenomena: wave-breaking and impact loads on the breakwater. It is shown that partial renormalization, i.e. renormalization applied only for particles near the structure, seems to be a promising compromise and an original method that allows simultaneously propagating waves, without diffusion, and modeling accurately the pressure field near the structure.

Computer tools to aid the learning and design steps for photovoltaic systems

This paper presents novel simulation tools to assist the lecturers about learning processes on renewable energy sources, considering photovoltaic (PV) systems. The PV behavior, functionality and its interaction with power electronic converters are investigated in the simulation tools. The main PV output characteristics, I (current) versus V (voltage) and P (power) versus V (voltage), were implemented in the tools, in order to aid the users for the design steps. In order to verify the effectiveness of the developed tools the simulation results were compared with Matlab. Finally, a prototype was implemented with the purpose to compare the experimental results with the results from the proposed tools, validating its operational feasibility. © 2011 IEEE.

Evaluating interaction with websites: Case study of a government website of the Brazilian Ministry of labor and employment

This paper presents a usability evaluation of the MTE (Ministry of Labor e Employment) website in order to measure the effectiveness, efficiency and user satisfaction regarding the website. The participants were 12 users (07 users were female and 05 male). The results indicate that although the education level of all participants and computing experience, many of them have had difficulty in finding information and do not recommend the site. © 2013 Springer-Verlag Berlin Heidelberg.

Desenvolvimento de uma base de dados para fatores de transcrição de seres humanos e suas redes de interação: Human Transcriptional Regulation Interaction Database (HTRIDB 2.0)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Interações nas danças circulares do Mana-Maní em Belém do Pará

Esta pesquisa prioriza abordagens que estudam a comunicação enquanto interação entre pessoas. O objetivo geral foi identificar, compreender e interpretar as interações que ocorrem nas danças circulares do Mana-Maní em Belém do Pará. Especificamente buscou-se identificar a dimensão comunicativa das ações individuais e coletivas que ocorrem na dança circular e verificar de que maneira a dimensão comunicativa das interações favorecem as interações simbólicas na dança circular, além de descrever as interações comunicativas que ocorrem nas danças circulares do Mana- Maní. O aporte teórico fundamentalmente discutiu dispositivos interacionais em José Luiz Braga; Espírito Comum e Sociedade Midiatizada em Raquel Paiva e Muniz Sodré e Comunidade Emotiva e Percepção do Mundo Sensível em Michel Mafessoli. Desse modo fez-se um tencionamento entre teorias e pesquisa empírica, sobre as observações em um contexto compreendido a partir de interpretações do pesquisador. Ao nível da abordagem metodológica, utilizou-se um enfoque prevalentemente qualitativo (interpretativo), que se pautou na abordagem fenomenológicopragmática, buscando revelar características intrínsecas, ações e reações que ora promovem, ora decorrem das interações observadas no contexto do grupo. Trabalhou-se com pesquisa bibliográfica e de campo, com a observação participante, diário de campo, entrevistas em profundidade e não estruturadas, aplicação de formulário semi-estruturado e coleta de depoimentos de participantes e ex participantes. Quanto às implicações práticas, buscou-se compreender formas de comunicação ocorridas partir de uma vivência sociocultural, dentro de um contexto especificamente observado, reconhecendo influências externas e internas que propiciam interações comunicativas. Quanto aos resultados, compreendeu-se que as interações ocorrem nas danças circulares do Mana-Maní a partir da inter-relação entre cinco elementos: 1) o eu, parte fundamental e insubstituível, que agrega motivações pessoais para vivenciar as danças circulares; 2) o outro – matéria-prima para as diversas interações, sempre de forma assimétrica, conforme o cabedal de conhecimento de cada um. Sem o outro, não há interação; 3) a ritualística das danças circulares no Mana-Maní, inspirada nas matrizes culturais da Amazônia, que com sua filosofia estimula e permite um espírito mais meditativo e interativo entre os participantes; 4) o cotidiano, por conta do reencantamento, a partir do prazer de participar e de ter inspirações para enfrentar dificuldades, desafios, limites físicos, psíquicos e comunicativos do comportamento pessoal; 5) a intersubjetividade, que ocorre de forma relevante e intensa, partir das dimensões simbólica e intersubjetiva, onde cada participante projeta seu mundo, sua subjetividade e entra em contato com a subjetividade dos demais, criando e ressignificando interações.

Practising Arithmetic Using Educational Video Games with an Interpersonal Computer

Studies show the positive effects that video games can have on student performance and attitude towards learning. In the past few years, strategies have been generated to optimize the use of technological resources with the aim of facilitating widespread adoption of technology in the classroom. Given its low acquisition and maintenance costs, the interpersonal computer allows individual interaction and simultaneous learning with large groups of students. The purpose of this work was to compare arithmetical knowledge acquired by third-grade students through the use of game-based activities and non-game-based activities using an interpersonal computer, with knowledge acquired through the use of traditional paper-and-pencil activities, and to analyze their impact in various socio-cultural contexts. To do this, a quasi-experimental study was conducted with 271 students in three different countries (Brazil, Chile, and Costa Rica), in both rural and urban schools. A set of educational games for practising arithmetic was developed and tested in six schools within these three countries. Results show that there were no significant differences (ANCOVA) in the learning acquired from game-based vs. non-game-based activities. However, both showed a significant difference when compared with the traditional method. Additionally, both groups using the interpersonal computer showed higher levels of student interest than the traditional method group, and these technological methods were seen to be especially effective in increasing learning among weaker students.

Avaliação enzimática na pós-colheita do maná cubiu tratados com radiação gama

The objective of this study was to evaluate the effects of gamma radiation on fruit quality and conservation of mana cubiu through its enzymatic characteristics, with 20 days of storage and 5 taken every 4 days. The fruits selected were subjected to different doses of gamma radiation Co60 (0.0; 0.2; 0.4; 0.6 and 0.8 kGy) packaged in trays of expanded polyethylene then covered with stretchable PVC film associated with refrigerated stored at 10 ± 3°C e 85 ± 5% de UR and evaluated in six periods (0, 4, 8, 12, 16 e 20 days). The variables evaluated were: enzymatic activity of pectin (PME), polygalacturonase (PG), polyphenoloxidase (PPO) and peroxidase (POD). For PG there was no interaction between dose and storage on the day 16 the highest value to 640.10 UE min-1 g-1 and 0.8 kGy dose showed the lowest with 376.37 10 UE min-1 g-1. PME now get in 16 days and 0.8 kGy dose the highest values of the experiment, to 290.74 UE min-1 g-1. In POF, the day 16 presented the value of 0.26 min-1 g-1 of dry mass-1. In 20 days the fruits of all treatments provided the highest values of POD during the experiment. The results showed that different doses of gamma radiation does not interfere with the activity of the enzymes determined in this experiment.

Optimizing Amplifier Placements in a Multiwavelength Optical LAN/MAN: The Unequally Powered Wavelengths Case

Optical networks based on passive-star couplers and employing WDM have been proposed for deployment in local and metropolitan areas. These networks suffer from splitting, coupling, and attenuation losses. Since there is an upper bound on transmitter power and a lower bound on receiver sensitivity, optical amplifiers are usually required to compensate for the power losses mentioned above. Due to the high cost of amplifiers, it is desirable to minimize their total number in the network. However, an optical amplifier has constraints on the maximum gain and the maximum output power it can supply; thus, optical amplifier placement becomes a challenging problem. In fact, the general problem of minimizing the total amplifier count is a mixed-integer nonlinear problem. Previous studies have attacked the amplifier-placement problem by adding the “artificial” constraint that all wavelengths, which are present at a particular point in a fiber, be at the same power level. This constraint simplifies the problem into a solvable mixed integer linear program. Unfortunately, this artificial constraint can miss feasible solutions that have a lower amplifier count but do not have the equally powered wavelengths constraint. In this paper, we present a method to solve the minimum amplifier- placement problem, while avoiding the equally powered wavelength constraint. We demonstrate that, by allowing signals to operate at different power levels, our method can reduce the number of amplifiers required.

Minimizing the Number of Optical Amplifiers Needed to Support a Multi-Wavelength Optical LAN/MAN

Optical networks based on passive star couplers and employing wavelength-division multiplexing (WDhf) have been proposed for deployment in local and metropolitan areas. Amplifiers are required in such networks to compensate for the power losses due to splitting and attenuation. However, an optical amplifier has constraints on the maximum gain and the maximum output power it can supply; thus optical amplifier placement becomes a challenging problem. The general problem of minimizing the total amplifier count, subject to the device constraints, is a mixed-integer non-linear problem. Previous studies have attacked the amplifier placement problem by adding the “artificial” constraint that all wavelengths, which are present at a particular point in a fiber, be at the same power level. In this paper, we present a method to solve the minimum amplifier- placement problem while avoiding the equally powered- wavelength constraint. We demonstrate that, by allowing signals to operate at different power levels, our method can reduce the number of amplifiers required in several small to medium-sized networks.

Computer simulations of charged systems in partially periodic geometries

This work presents algorithms for the calculation of the electrostatic interaction in partially periodic systems. The framework for these algorithms is provided by the simulation package ESPResSo, of which the author was one of the main developers. The prominent features of the program are listed and the internal structure is described. In the following, algorithms for the calculation of the Coulomb sum in three dimensionally periodic systems are described. These methods are the foundations for the algorithms for partially periodic systems presented in this work. Starting from the MMM2D method for systems with one non-periodic coordinate, the ELC method for these systems is developed. This method consists of a correction term which allows to use methods for three dimensional periodicity also for the case of two periodic coordinates. The computation time of this correction term is neglible for large numbers of particles. The performance of MMM2D and ELC are demonstrated by results from the implementations contained in ESPResSo. It is also discussed, how different dielectric constants inside and outside of the simulation box can be realized. For systems with one periodic coordinate, the MMM1D method is derived from the MMM2D method. This method is applied to the problem of the attraction of like-charged rods in the presence of counterions, and results of the strong coupling theory for the equilibrium distance of the rods at infinite counterion-coupling are checked against results from computer simulations. The degree of agreement between the simulations at finite coupling and the theory can be characterized by a single parameter gamma_RB. In the special case of T=0, one finds under certain circumstances flat configurations, in which all charges are located in the rod-rod plane. The energetically optimal configuration and its stability are determined analytically, which depends on only one parameter gamma_z, similar to gamma_RB. These findings are in good agreement with results from computer simulations.

Computer-Simulationen zur Strukturbildung von einzelnen Polymerketten

In dieser Arbeit wurden die Phasenübergänge einer einzelnen Polymerkette mit Hilfe der Monte Carlo Methode untersucht. Das Bondfluktuationsmodell wurde zur Simulation benutzt, wobei ein attraktives Kastenpotential zwischen allen Monomeren der Polymerkette gewirkt hat. Drei Arten von Bewegungen sind eingeführt worden, um die Polymerkette richtig zu relaxieren. Diese sind die Hüpfbewegung, die Reptationsbewegung und die Pivotbewegung. Um die Volumenausschlußwechselwirkung zu prüfen und um die Anzahl der Nachbarn jedes Monomers zu bestimmen ist ein hierarchischer Suchalgorithmus eingeführt worden. Die Zustandsdichte des Modells ist mittels des Wang-Landau Algorithmus bestimmt worden. Damit sind thermodynamische Größen berechnet worden, um die Phasenübergänge der einzelnen Polymerkette zu studieren. Wir haben zuerst eine freie Polymerkette untersucht. Der Knäuel-Kügelchen Übergang zeigt sich als ein kontinuierlicher Übergang, bei dem der Knäuel zum Kügelchen zusammenfällt. Der Kügelchen-Kügelchen Übergang bei niedrigeren Temperaturen ist ein Phasenübergang der ersten Ordnung, mit einer Koexistenz des flüssigen und festen Kügelchens, das eine kristalline Struktur hat. Im thermodynamischen Limes sind die Übergangstemperaturen identisch. Das entspricht einem Verschwinden der flüssigen Phase. In zwei Dimensionen zeigt das Modell einen kontinuierlichen Knäuel-Kügelchen Übergang mit einer lokal geordneten Struktur. Wir haben ferner einen Polymermushroom, das ist eine verankerte Polymerkette, zwischen zwei repulsiven Wänden im Abstand D untersucht. Das Phasenverhalten der Polymerkette zeigt einen dimensionalen crossover. Sowohl die Verankerung als auch die Beschränkung fördern den Knäuel-Kügelchen Übergang, wobei es eine Symmetriebrechung gibt, da die Ausdehnung der Polymerkette parallel zu den Wänden schneller schrumpft als die senkrecht zu den Wänden. Die Beschränkung hindert den Kügelchen-Kügelchen Übergang, wobei die Verankerung keinen Einfluss zu haben scheint. Die Übergangstemperaturen im thermodynamischen Limes sind wiederum identisch im Rahmen des Fehlers. Die spezifische Wärme des gleichen Modells aber mit einem abstoßendem Kastenpotential zeigt eine Schottky Anomalie, typisch für ein Zwei-Niveau System.