Structure and weak hydrogen bonds in liquid acetaldehyde

Monte Carlo simulations have been performed to investigate the structure and hydrogen bonds formation in liquid acetaldehyde. An all atom model for the acetaldehyde have been optimized in the present work. Theoretical values obtained for heat of vaporisation and density of the liquid are in good agreement with experimental data. Graphics of radial distribution function indicate a well structured liquid compared to other similar dipolar organic liquids. Molecular mechanics minimization in gas phase leads to a trimer of very stable structure. The geometry of this complex is in very good agreement with the rdf. The shortest site-site correlation is between oxygen and the carbonyl hydrogen, suggesting that this correlation play a important role in the liquid structure and properties. The O⋯H average distance and the C-H⋯O angle obtained are characteristic of weak hydrogen bonds.

Analysis of numeric conditioning of Hessian matrix of Lagrangian via singular values

This paper presents an analyze of numeric conditioning of the Hessian matrix of Lagrangian of modified barrier function Lagrangian method (MBFL) and primal-dual logarithmic barrier method (PDLB), which are obtained in the process of solution of an optimal power flow problem (OPF). This analyze is done by a comparative study through the singular values decomposition (SVD) of those matrixes. In the MBLF method the inequality constraints are treated by the modified barrier and PDLB methods. The inequality constraints are transformed into equalities by introducing positive auxiliary variables and are perturbed by the barrier parameter. The first-order necessary conditions of the Lagrangian function are solved by Newton's method. The perturbation of the auxiliary variables results in an expansion of the feasible set of the original problem, allowing the limits of the inequality constraints to be reached. The electric systems IEEE 14, 162 and 300 buses were used in the comparative analysis. ©2007 IEEE.

A 2-D delaunay refinement algorithm using an initial prerefinement from the boundary mesh

An improvement to the quality bidimensional Delaunay mesh generation algorithm, which combines the mesh refinement algorithms strategy of Ruppert and Shewchuk is proposed in this research. The developed technique uses diametral lenses criterion, introduced by L. P. Chew, with the purpose of eliminating the extremely obtuse triangles in the boundary mesh. This method splits the boundary segment and obtains an initial prerefinement, and thus reducing the number of necessary iterations to generate a high quality sequential triangulation. Moreover, it decreases the intensity of the communication and synchronization between subdomains in parallel mesh refinement. © 2008 IEEE.

A model for computing vibration induced stresses of electronic components in a general flexible mounting

This paper develops a novel full analytic model for vibration analysis of solid-state electronic components. The model is just as accurate as finite element models and numerically light enough to permit for quick design trade-offs and statistical analysis. The paper shows the development of the model, comparison to finite elements and an application to a common engineering problem. A gull-wing flat pack component was selected as the benchmark test case, although the presented methodology is applicable to a wide range of component packages. Results showed very good agreement between the presented method and finite elements and demonstrated the usefulness of the method in how to use standard test data for a general application. © 2013 Elsevier Ltd.

Avaliação da disponibilidade de boro em um latossolo de Mato Grosso/MT

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

Pintura Naïve: características e análises - quatro exemplos em São Paulo

Pós-graduação em Artes - IA

Simulação numérica de escoamentos incompressíveis pelo método de elementos finitos com esquema de Separação Baseado na Característica (CBS)

Pós-graduação em Engenharia Mecânica - FEIS

Simulação de grandes escalas de escoamentos incompressíveis com transferência de calor e massa por um método de elementos finitos de subdomínio

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Simulação numérica de escoamentos de fluidos pelo método de elementos finitos baseado em volumes de controle em malhas não estruturadas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Desenvolvimento de pino intra-radicular, resistência à fratura e análise da distribuição de tensões através do método dos elementos finitos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Ocorrência de eventos climáticos extremos e sua repercurssão sócio-ambiental no litoral norte paulista

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

O regime jurídico da propriedade produtiva no direito brasileiro

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Análise teórico-experimental de um tabuleiro misto madeira-concreto composto por vigas circulares

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Análise numérica da convecção natural em dispositivos solar integrados coletor-tanque

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Avaliação das alterações funcionais e histológicas na isquemia renal, comparando-se duas técnicas de hipotermia: estudo experimental em suínos

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