Analytical functions for the calculation of hyperspherical potential curves of atomic systems

We present angular basis functions for the Schrödinger equation of two-electron systems in hyperspherical coordinates. By using the hyperspherical adiabatic approach, the wave functions of two-electron systems are expanded in analytical functions, which generalizes the Jacobi polynomials. We show that these functions, obtained by selecting the diagonal terms of the angular equation, allow efficient diagonalization of the Hamiltonian for all values of the hyperspherical radius. The method is applied to the determination of the 1S e energy levels of the Li + and we show that the precision can be improved in a systematic and controllable way. ©2000 The American Physical Society.

Effects of the high temperature plasma immersion ion implantation (PIII) of nitrogen in AISI H13 steel

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Estudo da série iso-eletrônica do átomo de hélio pelo método hiperesférico

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

Binding energies of excitons trapped by ionized donors in semiconductors

Using the hyperspherical adiabatic approach in a coupled-channel calculation, we present precise binding energies of excitons trapped by impurity donors in semiconductors within the effective-mass approximation. Energies for such three-body systems are presented as a function of the relative electron-hole mass sigma in the range 1 less than or equal to1/sigma less than or equal to6, where the Born-Oppenheimer approach is not efficiently applicable. The hyperspherical approach leads to precise energies using the intuitive picture of potential curves and nonadiabatic couplings in an ab initio procedure. We also present an estimation for a critical value of sigma (sigma (crit)) for which no bound state can be found. Comparisons are given with results of prior work by other authors.

Bound states of the barium atom by the hyperspherical approach

We present a nonadiabatic hyperspherical calculation of the highly excited and low lying doubly excited states of the barium atom using effective potentials for the two optically active electrons' interactions. Within the hyperspherical adiabatic approach the investigation of the spectra is performed with potential curves and nonadiabatic couplings of a unique radial variable, which allows clear identification of the states. The convergence of energy is obtained within well established bound limits, and the precision is comparable to accurate configuration interaction calculations. A very good agreement with experimental results is obtained with only few nonadiabatic couplings. (C) 2004 American Institute of Physics.

Photoelectrocatalytic production of active chlorine on nanocrystalline titanium dioxide thin-film electrodes

The production of chlorine and hypochlorite is of great economical and technological interest due to their large-scale use in many kinds of commercial applications. Yet, the current processes are not without problems such as inevitable side reactions and the high cost of production. This work reports the photoelectrocatalytic oxidation of chloride ions to free chlorine as it has been investigated by using titanium dioxide (TiO2) and several metal-doped titanium dioxide (M-TiO2) material electrodes. An average concentration of 800 mg L-1 of free chlorine was obtained in an open-air reactor using a TiO2 thin-film electrode biased at +1.0 V (SCE) and illuminated by UV light. The M-doped electrodes have performed poorly compared with the pure TiO2 counterpart. Test solutions containing 0.05 mol L-1 NaCl pH 2.0-4.0 were found to be the best conditions for fast production of free chlorine. A complete investigation of all parameters that influence the global process of chlorine production by the photoelectrocatalytic method such as applied potential, concentration of NaCl, pH solution, and time is presented in detail. In addition, photocurrent vs potential curves and the reaction order are also discussed.

Silver ion release from electrodes of nanotubes of TiO2 impregnated with Ag nanoparticles applied in photoelectrocatalytic disinfection

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

Surface potentials of corona-charged ferroelectric P(VDF-TrFE) copolymer samples

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Senna occidentalis Link. (Caesalpiniaceae) imbibition curves for NaCl osmotic potential levels up to 0.6 MPa

An investigation is reported on the statistical model of imbibition curves of the seeds of Senna occidentalis Link. (Caesalpiniaceae), up to Phase II (start of root emission) in osmotic potential levels (0; -0.2; -0.4 and -0.6 MPa), induced NaCl or PEG 6000. The statistical model for both solutions was y = a [1 b exp(-cx)] where y is the fresh matter of seed in g, and x the time of evaluation in h. The analysis of variance of the estimated parameters, showed that with the NaCl solution, the -0.4 and -0.6 MPa levels differed significantly from the 0 and -0.2 MPa levels, and that with the PEG solution, the -0.6 MPa differed from the rest. Prolongation of Phase II occurred as the potential decreased, with both solutions. More reduction in water uptake and prolongation of this phase occurred with the PEG treatment.

CRITICAL EXPONENTS and SCALING PROPERTIES FOR THE CHAOTIC DYNAMICS of A PARTICLE IN A TIME-DEPENDENT POTENTIAL BARRIER

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

CO2 assimilation, photosynthetic light response curves, and water relations of 'Pêra' sweet orange plants infected with Xylella fastidiosa

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

Effect of combined bending strain and thermal cycling on the voltage-current characteristic curves of Bi-2223 tapes

High critical temperature superconductors are evolving from a scientific research subject into large-scale application devices. In order to meet this development demand they must withstand high current capacity under mechanical loads arising from thermal contraction during cooling from room temperature down to operating temperature (usually 77 K) and due to the electromagnetic forces generated by the current and the induced magnetic field. Among the HTS materials, the Bi2Sr2Ca2Cu3Ox, compound imbedded in an Ag/AgMg sheath has shown the best results in terms of critical current at 77 K and tolerance against mechanical strain. Aiming to evaluate the influence of thermal stress induced by a number of thermal shock cycles we have evaluated the V-I characteristic curves of samples mounted onto semicircular holders with different curvature radius (9.75 to 44.5 mm). The most deformed sample (epsilon = 1.08%) showed the largest reduction of critical current (40%) compared to the undeformed sample and the highest sensitivity to thermal stress (I-c/I-c0 = 0.5). The V-I characteristic curves were also fitted by a potential curve displaying n-exponents varying from 20 down to 10 between the initial and last thermal shock cycle.

Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorine

The electronic structure and spectroscopic properties (R(e), omega(e), omega(e)x(e), beta(e), and T(e)) of the ground state and the 22 lowest excited states of chlorine molecule were studied within a four-component relativistic framework using the MOLFDIR program package. The potential energy curves of all possible 23 covalent states were calculated using relativistic complete open shell configuration interaction approach. In addition, four component multireference configuration interaction with single and double excitation calculations were performed in order to infer the effects due to dynamical correlation in vertical excitations. The calculated properties are in good agreement with the available experimental data.

Escape of particles in a time-dependent potential well

We investigate the escape of an ensemble of noninteracting particles inside an infinite potential box that contains a time-dependent potential well. The dynamics of each particle is described by a two-dimensional nonlinear area-preserving mapping for the variables energy and time, leading to a mixed phase space. The chaotic sea in the phase space surrounds periodic islands and is limited by a set of invariant spanning curves. When a hole is introduced in the energy axis, the histogram of frequency for the escape of particles, which we observe to be scaling invariant, grows rapidly until it reaches a maximum and then decreases toward zero at sufficiently long times. A plot of the survival probability of a particle in the dynamics as function of time is observed to be exponential for short times, reaching a crossover time and turning to a slower-decay regime, due to sticky regions observed in the phase space.

Potential use of the veris apparent EC sensor to predict soil texture under the semi-arid conditions of central Arizona

The operational details of the apparent electrical conductivity (ECa) sensor manufactured by Veris Technologies have been extensively documented in literature reports, but the geographical distribution of these research studies indicate a strong regional concentration in the US Mid-west and Southern states. The agricultural lands of these states diverge significantly to the soil conditions and water regime of irrigated land in the US South-western states such as Arizona where there is no previous research reports of the use of this particular sensor. The objectives of the present study were to analyze the performance of this sensor under the conditions of typical soils in irrigated farms of Central Arizona. We tested under static conditions the performance of the sensor on three soils of contrasting texture. Observations were collected as time series data as soil moisture changed from saturation to permanent wilting point. Observations were repeated at the hours of lowest and highest temperatures. In addition, this study included soil penetration resistance and salinity determinations. Preliminary results indicate that soil temperature of the upper layer caused the most dynamic change in the sensor output. The ECa curves of the three soil textures tested had well defined distinctive characteristics. Final multivariate analysis is pending.