Effective pair potentials and structure of water

Classical Monte Carlo calculations have been performed in order to investigate the ability of the TIP4P, SPC, and SPCE water models to reproduce the structural features of liquid water. The simulations were carried out in the NPT ensemble at 4 thermodynamic conditions. The results are compared with recent neutron diffraction data. Essentially, the three models capture equally well the thermodynamic and structural features of water. Although they were parametrized to reproduce the water properties at ambient conditions, the agreement with the experimental pair correlation functions was even better at supercritical conditions. This is because the effective pair potentials have some difficulty to reproduce cooperative interactions, like hydrogen bonds. These interactions are less effective at supercritical conditions, where the liquid behaves roughly like a gas.

Charged Brownian particles: Kramers and Smoluchowski equations and the hydrothermodynamical picture

We consider a charged Brownian gas under the influence of external and non-uniform electric, magnetic and mechanical fields, immersed in a non-uniform bath temperature. With the collision time as an expansion parameter, we study the solution to the associated Kramers equation, including a linear reactive term. To the first order we obtain the asymptotic (overdamped) regime, governed by transport equations, namely: for the particle density, a Smoluchowski- reactive like equation; for the particle's momentum density, a generalized Ohm's-like equation; and for the particle's energy density, a MaxwellCattaneo-like equation. Defining a nonequilibrium temperature as the mean kinetic energy density, and introducing Boltzmann's entropy density via the one particle distribution function, we present a complete thermohydrodynamical picture for a charged Brownian gas. We probe the validity of the local equilibrium approximation, Onsager relations, variational principles associated to the entropy production, and apply our results to: carrier transport in semiconductors, hot carriers and Brownian motors. Finally, we outline a method to incorporate non-linear reactive kinetics and a mean field approach to interacting Brownian particles. © 2011 Elsevier B.V. All rights reserved.

Measurements of inclusive W and Z cross sections in pp collisions at √s = 7 TeV The CMS collaboration

Measurements of inclusive W and Z boson production cross sections in pp collisions at √s = 7 TeV are presented, based on 2.9 pb-1 of data recorded by the CMS detector at the LHC. The measurements, performed in the electron and muon decay channels, are combined to give σ(pp → WX) × B(W → l?) = 9.95 ± 0.07 (stat.) ± 0.28 (syst.) ± 1.09 (lumi.) nb and σ(pp → ZX) × B(Z → l +l-) = 0.931 ± 0.026 (stat.) ± 0.023 (syst.) ± 0.102 (lumi.) nb, where l stands for either e or μ. Theoretical predictions, calculated at the next-to-next-to-leading order in QCD using recent parton distribution functions, are in agreement with the measured cross sections. Ratios of cross sections, which incur an experimental systematic uncertainty of less than 4%, are also reported.

Measurement of the lepton charge asymmetry in inclusive W production in pp collisions at √s = 7 TeV

A measurement of the lepton charge asymmetry in inclusive pp → WX production at √s = 7TeV is presented based on data recorded by the CMS detector at the LHC and corresponding to an integrated luminosity of 36 pb -1. This high precision measurement of the lepton charge asymmetry, performed in both the W → eν and W → μν channels, provides new insights into parton distribution functions. Copyright CERN.

Fluxo de potência trifásico probabilístico para redes de distribuição usando o método de estimação por pontos

In this paper the point estimation method is applied to solve the probabilistic power flow problem for unbalanced three-phase distribution systems. Through the implementation of this method the probability distribution functions of voltages (magnitude and angle) as well as the active and reactive power flows in the branches of the distribution system are determined. Two different approaches of the point estimation method are presented (2m and 2m+1 point schemes). In order to test the proposed methodology, the IEEE 34 and 123 bus test systems are used. The results obtained with both schemes are compared with the ones obtained by a Monte Carlo Simulation (MCS).

Measurement of angular correlations of jets at s=1.96 TeV and determination of the strong coupling at high momentum transfers

We present a measurement of the average value of a new observable at hadron colliders that is sensitive to QCD dynamics and to the strong coupling constant, while being only weakly sensitive to parton distribution functions. The observable measures the angular correlations of jets and is defined as the number of neighboring jets above a given transverse momentum threshold which accompany a given jet within a given distance δR in the plane of rapidity and azimuthal angle. The ensemble average over all jets in an inclusive jet sample is measured and the results are presented as a function of transverse momentum of the inclusive jets, in different regions of δR and for different transverse momentum requirements for the neighboring jets. The measurement is based on a data set corresponding to an integrated luminosity of 0.7 fb -1 collected with the D0 detector at the Fermilab Tevatron Collider in pp- collisions at s=1.96 TeV. The results are well described by a perturbative QCD calculation in next-to-leading order in the strong coupling constant, corrected for non-perturbative effects. From these results, we extract the strong coupling and test the QCD predictions for its running over a range of momentum transfers of 50-400 GeV. © 2012 Elsevier B.V.

Spin squeezing and entanglement via finite-dimensional discrete phase-space description

We show how mapping techniques inherent to N2-dimensional discrete phase spaces can be used to treat a wide family of spin systems which exhibits squeezing and entanglement effects. This algebraic framework is then applied to the modified Lipkin-Meshkov-Glick (LMG) model in order to obtain the time evolution of certain special parameters related to the Robertson- Schrödinger (RS) uncertainty principle and some particular proposals of entanglement measure based on collective angular-momentum generators. Our results reinforce the connection between both the squeezing and entanglement effects, as well as allow to investigate the basic role of spin correlations through the discrete representatives of quasiprobability distribution functions. Entropy functionals are also discussed in this context. The main sequence correlations → entanglement → squeezing of quantum effects embraces a new set of insights and interpretations in this framework, which represents an effective gain for future researches in different spin systems. © 2013 World Scientific Publishing Company.

Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water

20% N-methylformamide (NMF) mixtures with water and with dimethylsulfoxide (DMSO) have been studied. A comparison between the hydrogen bonding (H-bond) donation of N-methylformamide with both solvents in the mixtures is presented. Results of radial distribution functions, pair distribution energies, molecular dipole moment correlation, and geometry of the H-bonded species in each case are shown. The results indicate that the NMF-solvent H-bond is significantly stronger with DMSO than with water. The solvation shell is best organized in the DMSO mixture than in the aqueous one. © 2013 Elsevier B.V. All rights reserved.

Measurements of differential jet cross sections in proton-proton collisions at √s=7 TeV with the CMS detector

Measurements of inclusive jet and dijet production cross sections are presented. Data from LHC proton-proton collisions at √s=7 TeV, corresponding to 5.0 fb-1 of integrated luminosity, have been collected with the CMS detector. Jets are reconstructed up to rapidity 2.5, transverse momentum 2 TeV, and dijet invariant mass 5 TeV, using the anti-k T clustering algorithm with distance parameter R=0.7. The measured cross sections are corrected for detector effects and compared to perturbative QCD predictions at next-to-leading order, using five sets of parton distribution functions. © 2013 CERN.

Incertezas na estimativa da variabilidade espacial da emissão de CO2 do solo e propriedades edáficas em área de cana crua

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Modelagem do crescimento e produção em povoamentos desbastados de Eucalyptus grandis

The aim of the study was to develop a system of growth and yield models for thinned stands of Eucalyptus spp.; and to assess the behavior of the growth in scenarios with 10% decrease or increase in rainfall. The probability distribution functions Weibull 2 and 3 parameters and Johnson SB for different methods were fitted. Correlation between the fitted parameters with age was evaluated. Dominant height growth behavior was evaluated to check if thinned stand changes its growth when compared to a non-thinned stands. The stand variables dominant height and basal area were projected and simultaneously predicted and projected, respectively. Individual tree equations were fitted, which were fitted as functions of stand level variables in order to decrease the error propagation. R software was used to fit all the proposed models and consequently all the fitted models were evaluated by their parameters significance (F-test) and graphs of predicted values in relation to the observed values around the 1:1 line. Thus, the prognosis system was made by two ways, first one using the full data set, and for the second one the dataset was restricted at age 7.5. Increase and decrease in 20% of rainfall were assessed by updating the site index function. Method of moments was the most precise to describe the diameter distribution for every age in eucalyptus stands for Johnson SB and Weibull 2 parameters pdfs. When observed for each pdf the correlation for their fitted parameters with age, we noticed that shape parameters for a thinned stand were no longer correlated with age, differently of non-thinned stands. Thus, thinning effect was accounted in the basal area prediction and projection modeling. This result emphasized the necessity of applying the Parameter Recovery method in order to assess differences and capture the right pattern for thinned and non-thinned stands in the future. Dominant height was not influenced by thinning intensity. Therefore the fitted Chapman-Richards model did not account for a stand being thinned or not. All the fitted equations behaved with good precision, no matter using full or precocious dataset. The prognosis system using full and/or precocious date set was evaluated for when using Parameter Recovery method for Sb and Weibull pdfs, and by then, graphical analysis and precision statistics showed appropriated results. Finally, the increase or decrease in rainfall regime were observed for eucalyptus stand yields and we may notice how important is to observe this effect, since the growth pattern is strictly affected by water.

Fluxo de potência em redes de distribuição de energia elétrica considerando incertezas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Rentabilidade e risco da produção de milho safrinha geneticamente modificado na região de Guaíra-SP

Pós-graduação em Agronomia (Energia na Agricultura) - FCA

Modelamento da permissividade dielétrica de rochas saturadas de óleo e água e suas aplicações em perfilagem de poço

A ferramenta de propagação eletromagnética (EPT) fornece o tempo de propagação (T_pl) e a atenuação (A) de uma onda eletromagnética que se propaga num meio com perdas. Estas respostas da EPT são funções da permissividade dielétrica do meio. Existem vários modelos e fórmulas de misturas sobre a permissividade dielétrica de rochas reservatório que podem ser utilizados na interpretação da ferramenta de alta frequência. No entanto, as fórmulas de mistura não consideram a distribuição e a geometria do espaço poroso, e estes parâmetros são essenciais para que sejam obtidas respostas dielétricas mais próximas de uma rocha real. Foi selecionado um modelo baseado nos parâmetros descritos acima e este foi aplicado à dados dielétricos disponíveis na literatura. Foi obtida uma boa concordância entre as curvas teóricas e os dados experimentais, comprovando assim que a distribuição e a geometria dos poros têm que ser levadas em conta no desenvolvimento de um modelo realista. Foram conseguidas também funções de distribuição de razão de aspecto de poros, através das quais geramos várias curvas relacionando as respostas da EPT com diversas saturações de óleo/gás. Estas curvas foram aplicadas na análise de perfis. Como o modelo selecionado ajusta-se bem aos dados dielétricos disponíveis na literatura, torna-se atraente aplicá-lo à dados experimentais obtidos em rochas de campos brasileiros produtores de hidrocarbonetos para interpretação da EPT corrida em poços destes campos petrolíferos.

Measurement of the differential and double-differential Drell-Yan cross sections in proton-proton collisions at root s=7 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)