A Monte Carlo Revisiting of N-Methylformamide and Acetone

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

Monte Carlo thermodynamic and structural properties of the TIP4P water model: dependence on the computational conditions

Classical Monte Carlo simulations were carried out on the NPT ensemble at 25°C and 1 atm, aiming to investigate the ability of the TIP4P water model [Jorgensen, Chandrasekhar, Madura, Impey and Klein; J. Chem. Phys., 79 (1983) 926] to reproduce the newest structural picture of liquid water. The results were compared with recent neutron diffraction data [Soper; Bruni and Ricci; J. Chem. Phys., 106 (1997) 247]. The influence of the computational conditions on the thermodynamic and structural results obtained with this model was also analyzed. The findings were compared with the original ones from Jorgensen et al [above-cited reference plus Mol. Phys., 56 (1985) 1381]. It is notice that the thermodynamic results are dependent on the boundary conditions used, whereas the usual radial distribution functions g(O/O(r)) and g(O/H(r)) do not depend on them.

DFA e análise de agrupamento aplicadas a perfis de porosidade neutrônico em poços de petróleo

Peng was the first to work with the Technical DFA (Detrended Fluctuation Analysis), a tool capable of detecting auto-long-range correlation in time series with non-stationary. In this study, the technique of DFA is used to obtain the Hurst exponent (H) profile of the electric neutron porosity of the 52 oil wells in Namorado Field, located in the Campos Basin -Brazil. The purpose is to know if the Hurst exponent can be used to characterize spatial distribution of wells. Thus, we verify that the wells that have close values of H are spatially close together. In this work we used the method of hierarchical clustering and non-hierarchical clustering method (the k-mean method). Then compare the two methods to see which of the two provides the best result. From this, was the parameter � (index neighborhood) which checks whether a data set generated by the k- average method, or at random, so in fact spatial patterns. High values of � indicate that the data are aggregated, while low values of � indicate that the data are scattered (no spatial correlation). Using the Monte Carlo method showed that combined data show a random distribution of � below the empirical value. So the empirical evidence of H obtained from 52 wells are grouped geographically. By passing the data of standard curves with the results obtained by the k-mean, confirming that it is effective to correlate well in spatial distribution

Quantitative estimation of Br, Cl, K and Na in sample blood by NAA

Neutron activation analysis, using Au as flux monitor, was applied to determine the concentrations of Br, Cl, K and Na in blood of healthy male and female blood donors, selected from blood banks and hematological laboratories from different regions of Brazil. The aims of this study were to collect more reference values of the Brazilian population as well as to perform hematological investigations. The advantages as well as the limitations of using this nuclear procedure are discussed.

Ventilatory compensation of the alkaline tide during digestion in the snake Boa constrictor

The increased metabolic rate during digestion is associated with changes in arterial acid-base parameters that are caused by gastric acid secretion (the 'alkaline tide'). Net transfer of HCl to the stomach lumen causes an increase in plasma HCO3- levels, but arterial pH does not change because of a ventilatory compensation that counters the metabolic alkalosis. It seems, therefore, that ventilation is controlled to preserve pH and not P-CO2, during the postprandial period. To investigate this possibility, we determined arterial acid-base parameters and the metabolic response to digestion in the snake Boa constrictor, where gastric acid secretion was inhibited pharmacologically by oral administration of omeprazole. The increase in oxygen consumption of omeprazole-treated snakes after ingestion of 30% of their own body mass was quantitatively similar to the response in untreated snakes, although the peak of the metabolic response occurred later (36 h versus 24 h). Untreated control animals exhibited a large increase in arterial plasma HCO3- concentration of approximately 12 mmol 1(-1), but arterial pH only increased by 0.12 pH units because of a simultaneous increase in arterial P-CO2 by about 10 mmHg. Omeprazole virtually abolished the changes in arterial pH and plasma HCO3- concentration during digestion and there was no increase in arterial P-CO2. The increased arterial P-CO2 during digestion is not caused, therefore, by the increased metabolism during digestion or a lower ventilatory responsiveness to ventilatory stimuli during a presumably relaxed state in digestion. Furthermore, the constant arterial P-CO2, in the absence of an alkaline tide, of omeprazole-treated snakes strongly suggests that pH rather than P-CO2 normally affects chemoreceptor activity and ventilatory drive.

Radii in weakly-bound light halo nuclei

A systematic study of the root-mean-square distance between the constituents of weakly-bound nuclei consisting of two halo neutrons and a core is performed using a renormalized zero-range model. The radii are obtained from a universal scaling function that depends on the mass ratio of the neutron and the core, as well as on the nature of the subsystems, bound or virtual. Our calculations are qualitatively consistent with recent data for the neutron-neutron root-mean-square distance in the halo of Li-11 and Be-14 nuclei. (C) 2004 Published by Elsevier B.V.

The nucleon structure function and the quark effective potential

By considering a statistical model for the quark content of the nucleon, where the quark levels are generated by a Dirac equation with a harmonic scalar-plus-vector potential, we note that a good fit for the ratio between the structure functions of the neutron and proton, F-2(n)/F-2(p), can be obtained if different strengths are used for the effective confining potentials of the up and down quarks.

Vacuum polarization effects in hyperon-rich dense matter - a nonperturbative treatment

We derive the equation of state (EOS) for electrically charged neutral dense matter using the quantum hadrodynamics (QHD) model. This is carried out in a non-perturbative manner including quantum corrections for baryons through a realignment of vacuum with baryon-antibaryon condensates. This yields the results of relativistic Hartree approximation of summing over baryonic tadpole diagrams. The quantum corrections from the scalar meson is also taken into account in a similar way. This leads to a softening of the EOS for the hyperonic matter. The formalism also allows Lis to make a self-consistent calculation of the in-medium sigma meson mass. The effects of such quantum corrections on the composition of charged neutral dense matter is considered. The effect of the resulting EOS on the structure of neutron stars is also studied.

Quark clustering and chiral symmetry breaking in nuclear matter

Chiral symmetry breaking at finite baryon density is usually discussed in the context of quark matter, i.e. a system of deconfined quarks. Many systems like stable nuclei and neutron stars however have quarks confined within nucleons. In this paper we construct a Fermi sea of three-quark nucleon clusters and investigate the change of the quark condensate as a function of baryon density. We study the effect of quark clustering on the in-medium quark condensate and compare results with the traditional approach of modeling hadronic matter in terms of a Fermi sea of deconfined quarks.

Chiral-symmetry restoration in clustered hadronic matter

Chiral-symmetry restoration is usually discussed in the context of quark matter, a system of deconfined quarks. However, many systems like stable nuclei and neutron stars have quarks confined within nucleons. In the present paper we use a Fermi sea of three-quark clusters instead of a Fermi sea of deconfined quarks to investigate the in-medium quark condensate. We find that an enhancement of the chiral breaking in clustered matter as claimed in the literature is not a consequence of the clustering but rather dependent on the microscopic model dynamics.

Kinematical and nonlocality effects on the nonmesonic weak hypernuclear decay

We make a careful study about the nonrelativistic reduction of one-meson-exchange models for the nonmesonic weak hypernuclear decay. Starting from a widely accepted effective coupling Hamiltonian involving the exchange of the complete pseudoscalar and vector meson octets (pi, eta, K, rho, omega, K*), the strangeness-changing weak LambdaN --> NN transition potential is derived, including two effects that have been systematically omitted in the literature, or, at best, only partly considered. These are the kinematical effects due to the difference between the lambda and nucleon masses, and the first-order nonlocality corrections, i.e., those involving up to first-order differential operators. Our analysis clearly shows that the main kinematical effect on the local contributions is the reduction of the effective pion mass. The kinematical effect on the nonlocal contributions is more complicated, since it activates several new terms that would otherwise remain dormant. Numerical results for C-12(Lambda) and He-5(Lambda) are presented and they show that the combined kinematical plus nonlocal corrections have an appreciable influence on the partial decay rates. However, this is somewhat diminished in the main decay observables: the total nonmesonic rate, Gamma(nm), the neutron-to-proton branching ratio, Gamma(n)/Gamma(p), and the asymmetry parameter, a(Lambda). The latter two still cannot be reconciled with the available experimental data. The existing theoretical predictions for the sign of a(Lambda) in He-5(Lambda) are confirmed. (C) 2003 Elsevier B.V. All rights reserved.

On the calculation of inner products of Schur functions

Two methods for calculating inner products of Schur functions in terms of outer products and plethysms are given and they are easy to implement on a machine. One of these is derived from a recent analysis of the SO(8) proton-neutron pairing model of atomic nuclei. The two methods allow for generation of inner products for the Schur functions of degree up to 20 and even beyond.

Study of W boson production in PbPb and pp collisions at root s(NN)=2.76 TeV

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Quark sea asymmetry of the nucleon

The light anti-quark and quark distribution in the proton, as well as the neutron to proton ratio of the structure functions, extracted from experimental data, are well fitted by a, statistical model of linear-confined quarks. The parameters of the model are given by a temperature, which is adjusted by the Gottfried sum-rule violation, and two chemical potentials given by the corresponding up (u) and down (d) quark normalizations in the nucleon. The quark energy levels are generated by a relativistic linear-confined scalar plus vector potential.

IMPROVED STATISTICAL QCD MODEL FOR THE QUARK CONTENT of THE NUCLEON

The neutron-to-proton ratio of the structure functions, F(2)(n)/F(2)(p), as well as the corresponding difference F(2)(p)-F(2)(n) are obtained within a statistical quark model for the nucleon, where the quark energy levels are given by a central linear confining potential.