Ion beam analysis of a-C:H films on alloy steel substrate

An a-C:H thin film deposited by plasma immersion ion implantation and deposition on alloy steel (16MnCr5) was analyzed using a self-consistent ion beam analysis technique.In the self-consistent analysis, the results of each individual technique are combined in a unique model, increasing confidence and reducing simulation errors.Self-consistent analysis, then, is able to improve the regular ion beam analysis since several analyses commonly used to process ion beam data still rely on handling each spectrum independently.The sample was analyzed by particle-induced x-ray emission (for trace elements), elastic backscattering spectrometry (for carbon), forward recoil spectrometry (for hydrogen) and Rutherford backscattering spectrometry (for film morphology).The self-consistent analysis provided reliable chemical information about the film, despite its heavy substrate.As a result, we could determine precisely the H/C ratio, contaminant concentration and some morphological characteristics of the film, such as roughness and discontinuities.© 2013 Elsevier B.V.All rights reserved.

Pattern recognition issues on anisotropic smoothed particle hydrodynamics

This is a preliminary theoretical discussion on the computational requirements of the state of the art smoothed particle hydrodynamics (SPH) from the optics of pattern recognition and artificial intelligence. It is pointed out in the present paper that, when including anisotropy detection to improve resolution on shock layer, SPH is a very peculiar case of unsupervised machine learning. On the other hand, the free particle nature of SPH opens an opportunity for artificial intelligence to study particles as agents acting in a collaborative framework in which the timed outcomes of a fluid simulation forms a large knowledge base, which might be very attractive in computational astrophysics phenomenological problems like self-propagating star formation.

A New Approach to Reducing Search Space and Increasing Efficiency in Simulation Optimization Problems via the Fuzzy-DEA-BCC

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Numerical modeling of flow through an industrial burner orifice

This paper presents numerical modeling of a turbulent natural gas flow through a non-premixed industrial burner of a slab reheating furnace. The furnace is equipped with diffusion side swirl burners capable of utilizing natural gas or coke oven gas alternatively through the same nozzles. The study is focused on one of the burners of the preheating zone. Computational Fluid Dynamics simulation has been used to predict the burner orifice turbulent flow. Flow rate and pressure at burner upstream were validated by experimental measurements. The outcomes of the numerical modeling are analyzed for the different turbulence models in terms of pressure drop, velocity profiles, and orifice discharge coefficient. The standard, RNG, and Realizable k-epsilon models and Reynolds Stress Model (RSM) have been used. The main purpose of the numerical investigation is to determine the turbulence model that more consistently reproduces the experimental results of the flow through an industrial non-premixed burner orifice. The comparisons between simulations indicate that all the models tested satisfactorily and represent the experimental conditions. However, the Realizable k-epsilon model seems to be the most appropriate turbulence model, since it provides results that are quite similar to the RSM and RNG k-epsilon models, requiring only slightly more computational power than the standard k-epsilon model. (C) 2014 Elsevier Ltd. All rights reserved.

A hybrid neutron diffraction and computer simulation study on the solvation of N-methylformamide in dimethylsulfoxide

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

Estimating the concentration of gold nanoparticles incorporated on natural rubber membranes using multi-level starlet optimal segmentation

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

Binding of antioxidant flavone isovitexin to human serum albumin investigated by experimental and computational assays

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Cogeneration design problem Computational complexity analysis and solution through an expert system

Purpose - The purpose of this paper is twofold: to analyze the computational complexity of the cogeneration design problem; to present an expert system to solve the proposed problem, comparing such an approach with the traditional searching methods available.Design/methodology/approach - The complexity of the cogeneration problem is analyzed through the transformation of the well-known knapsack problem. Both problems are formulated as decision problems and it is proven that the cogeneration problem is np-complete. Thus, several searching approaches, such as population heuristics and dynamic programming, could be used to solve the problem. Alternatively, a knowledge-based approach is proposed by presenting an expert system and its knowledge representation scheme.Findings - The expert system is executed considering two case-studies. First, a cogeneration plant should meet power, steam, chilled water and hot water demands. The expert system presented two different solutions based on high complexity thermodynamic cycles. In the second case-study the plant should meet just power and steam demands. The system presents three different solutions, and one of them was never considered before by our consultant expert.Originality/value - The expert system approach is not a "blind" method, i.e. it generates solutions based on actual engineering knowledge instead of the searching strategies from traditional methods. It means that the system is able to explain its choices, making available the design rationale for each solution. This is the main advantage of the expert system approach over the traditional search methods. On the other hand, the expert system quite likely does not provide an actual optimal solution. All it can provide is one or more acceptable solutions.

SIMULATION OF USE AND MANAGEMENT EFFECTS ON THE SOIL ORGANIC MATTER POOLS OF THE ATLANTIC FOREST BIOME, BRAZIL

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modelagem matemática para a dispersão de fungos fitopatogênicos via autômatos celulares

Brazil is a major world producer and exporter of agricultural products like soybeans, sugar, coffee, orange and tobacoo. However, the action of phytopathogenic fungi has been one of the largest challenges encountered in the field as they are responsible for approximately 25 to 50 per cent of losses in crops of fruits and vegetables. The presence of these pathogens is always a problem, because the damage on the tissues and organs promote lesions which decreses growth vegetation and often leads the individual (host) to death. Therefore, it is crucial to understand the process of spreading of these pathogens in the field to develop strategies which prevent the epidemics caused by them. In this study, the dispersal of fungi phytopathogenic in the field was modeled using the automata cellular formalism. The growth rate of infected plants population was measured by the radius of gyration and the influence of host different susceptibility degrees into the disease spread was assessed. The spatial anisotropy related to the plant-to-plant space and the system’s response to distinct seasonal patterns were also evaluated. The results obtained by a mean field model (spatially implicit models) emphasized the importance of the spatial structure on the spreading process, and dispersal patterns obtained by simulation (using a cellular automata) were in agreement with thse observed in data. All computational implementation was held in language Cl

DFT + U Simulation of the Ti4O7-TiO2 Interface

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

Spurious transients of projection methods in microflow simulations

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

Estimation of a preference map of new consumers for spatial load forecasting simulation methods using a spatial analysis of points

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Post-processing of sequential indicator simulation realizations for modeling geologic bodies

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Geometrical parameter analysis of a high-sensitivity fiber optic angular displacement sensor

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)