Quantum chemical modeling of perovskite: An investigation of piezoelectricity in ferrite of yttrium

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Investigation of the pore blockage of a Brazilian dolomite during the sulfation reaction

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

Generalized soldering of +/- 2 helicity states in D=2+1

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Kinetics and mechanism of the forward and reverse reactions between N,N′-dimethyl-4,4′-bipyridinium and hexacyanoferrate(II)

The kinetics of the hexacyanoferrate(III)-N,N′-dimethyl-4,4′-bipyridinium radical (MV+) reaction was studied by a laser flash photolysis technique. The radical was generated, in the presence of Fe(CN)6 3-, by quenching the excited state *Ru(bpy)3 2+ with MV2+. The second-order rate constant for the Fe(CN)6 3--MV+ reaction is (7.6 ± 0.5) × 109 M-1 s-1 at 23°C and ionic strength 0.10 M. Comparison with the rate constants calculated for the diffusion-controlled reaction (4.7 × 109 M-1 s-1) and the activation-controlled reaction (5.2 × 1012 M-1 s-1, on the basis of self-exchange rate constants of 8.0 × 105 M-1 s-1 and 1.9 × 104 M-1 s-1 for the MV2+/+ and Fe(CN)6 3-/4- couples, respectively) leads to the conclusion that the Fe(CN)6 3--MV+ reaction is diffusion controlled. The rate constant for the Fe(CN)6-MV2+ reaction, calculated from the rate constant for the Fe(CN)6 3--MV+ reaction and the appropriate equilibrium constant, is 2.4 × 10-5 M-1 s-1 at 23°C and ionic strength 0.10 M. Microscopic reversibility considerations require that the Fe(CN)6 4--MV2+ reaction be controlled by the dissociation of the successor complex Fe(CN)6 3-|MV+. The thermal and optical electron transfers in the ion pair Fe(CN)6 4-|MV2+ and in related systems are analyzed and discussed. © 1982 American Chemical Society.

Chawla-Numerov method revisited

The well-known two-step fourth-order Numerov method was shown to have better interval of periodicity when made explicit, see Chawla (1984). It is readily verifiable that the improved method still has phase-lag of order 4. We suggest a slight modification from which linear problems could benefit. Phase-lag of any order can be achieved, but only order 6 is derived. © 1991.

q-deformed variational study of the Lipkin-Meshkov-Glick model via coherent states

We show that the ground-state energy of the q-deformed Lipkin-Meshkov-Glick Hamiltonian can be estimated by q-deformed coherent states. We also use these coherent states to analyse qualitatively the suppression of the second order ground-state energy phase transition of this model. © 1993.

So(2,1) Lie algebra and the Green's functions for the conditionally exactly solvable potentials

The Green's functions of the recently discovered conditionally exactly solvable potentials are computed. This is done through the use of a second-order differential realization of the so(2,1) Lie algebra. So we present the dynamical symmetry underlying the solvability of such potentials and show that they belong to a general class of solvable and partially solvable potentials. © 1994 The American Physical Society.

Macroscopic quantum tunneling in a dc SQUID: Instanton splitting

The theory of macroscopic quantum tunneling is applied to a current-biased dc SQUID which constitutes a system of two interacting quantum degrees of freedom coupled to the environment. The decay probability is obtained in the exponential approximation for the overdamped case. Close to the critical driving force of the system, the decay of the metastable state is determined by a unique instanton solution describing the symmetric decay of the phases in each of the two Josephson juctions. Upon reducing the external driving force a new regime is reached where the instanton splits. The doubling of the decay channels reduces the decreasing of the decay rate in the quantum regime. A current-temperature phase diagram is constructed based on the Landau theory of phase transitions. Depending on the external parameters the system develops either a first- or a second-order transition to the split-instanton regime. © 1994 The American Physical Society.

Phonons in binary BCC lithium-sodium alloys

The dispersion relations along the principal symmetry directions in BCC lithium-sodium alloys are calculated using second-order perturbation theory. The local modified Hoshino-Youngmodel potential was used for the lithium and the local Harrison model potential for sodium. The phonon density of states, the root mean square displacements and (Θ-T) curves are also calculated. In the absence of experimental data, just the theoretical predictions are presented here.

Taxonomy and distribution of Paralemanea (Lemaneaceae, Rhodophyta) in Central Mexico

Three collections of Paralemanea from Central Mexico included two species. Paralemanea mexicana is large (length ≥ 4.0 cm; diameter > 400 μm) and generally branched (≥ 40 % of plants branched), with whorled branches, of first to second order. Paralemanea annulata is small (length < 5.0 cm ; diameter < 500 μm), generally unbranched (≤ 5 % of plants branched), with branches of first order. Spermatangial sori contained obovoid spermatangia, formed from cells of the outer cortical layers, extending above the thallus surface. Carpogonial branches are described for the first time in P. mexicana. They develop on lateral filaments at nodes or internodes and have ovoid to globular cells, abundantly branched at the basal portion, penetrating the cortex towards the thallus surface. Carposporophytes are sessile on the inner portion of the cortex and produce carpospores in chains of up to twelve. The 'Chantransia' stage was observed in P. mexicana. Paralemanea annulata is described for the first time from Mexico and P. mexicana is endemic from this country. Both species were collected in cold (temperature 12-16°C), acidic (pH 5.5-6.0), shallow (depth 1-60 cm) and moderate to fast flowing waters (> 35 cm s-1), in shaded or partly shaded river segments, on rocky substrata (mostly bedrock).

Magnetic behavior of poly(3-methylthiophene): Metamagnetism and room-temperature weak ferromagnetism

A weak ferromagnetic phase is shown in pressed pellets of partially doped poly(3-methylthiophene) (P3MT) in the whole range from 1.8 to 300 K in magnetic measurements. Thermoremanence data have been used to estimate the suppression of this phase to be around 815 K. We also show that instead of the classical antiferromagnetism for the first-order interaction that gives weak ferromagnetism as a second-order effect, metamagnetic behavior is observed. X-band electron spin resonance (ESR) measurements and magnetization measurements allowed us to estimate that 8.1% of the total number of spins contributes to the weak ferromagnetism at room temperature. The doping level obtained from the ESR data is in good agreement with that estimated from electron dispersive spectroscopy measurements.

Fractional polynomial response surface models

Second-order polynomial models have been used extensively to approximate the relationship between a response variable and several continuous factors. However, sometimes polynomial models do not adequately describe the important features of the response surface. This article describes the use of fractional polynomial models. It is shown how the models can be fitted, an appropriate model selected, and inference conducted. Polynomial and fractional polynomial models are fitted to two published datasets, illustrating that sometimes the fractional polynomial can give as good a fit to the data and much more plausible behavior between the design points than the polynomial model. © 2005 American Statistical Association and the International Biometric Society.

Is the equivalence principle doomed forever to Dante's Inferno on account of quantum mechanics?

It is commonly assumed that the equivalence principle can coexist without conflict with quantum mechanics. We shall argue here that, contrary to popular belief, this principle does not hold in quantum mechanics. We illustrate this point by computing the second-order correction for the scattering of a massive scalar boson by a weak gravitational field, treated as an external field. The resulting cross-section turns out to be mass-dependent. A way out of this dilemma would be, perhaps, to consider gravitation without the equivalence principle. At first sight, this seems to be a too much drastic attitude toward general relativity. Fortunately, the teleparallel version of general relativity - a description of the gravitational interaction by a force similar to the Lorentz force of electromagnetism and that, of course, dispenses with the equivalence principle - is equivalent to general relativity, thus providing a consistent theory for gravitation in the absence of the aforementioned principle. © World Scientific Publishing Company.

Caracterização morfométrica da microbacia hidrográfica do Córrego da fazenda glória, Município de Taquaritinga, SP.

The analysis of morphometric characteristics is used to understand the relationship between soil and surface as a result of erosive processes on different structures and lithologies. The objective of this study was to study the morphometric characteristics of Fazenda Gloria watershed from 1983 to 2000, a fourth-order watershed in Taquaritinga Municipality, São Paulo State. The study was based on photointerpretation techniques. Drainage net and the respective watersheds were selected and the morphometric variables were determined. The watersheds consisted of 7 second-order watersheds and 2 third-order watersheds. The morphometric characteristics showed a reduction in the number of segments of first-order rivers and in the length of the drainage net during the study period. These findings could be related to several influences on land development considering occupation and use of land. A different hydrological behavior could also be observed. The analysis of Fazenda Glória Watershed showed that the length of the segment of fourth order river remained constant during the study period.

Third-body perturbation in the case of elliptic orbits for the disturbing body

In the present work it is presented a semi-analytical and a numerical study of the perturbation caused in a spacecraft by a third body using a double averaged analytical model with the disturbing function expanded in Legendre polynomials up to the second-order. The important reason for this procedure is to eliminate the terms due to the short time periodic motion of the spacecraft and to show smooth curves for the evolution of the mean orbital elements for a long time period. The aim of this study is to calculate the effect of lunar perturbations on the orbits of spacecrafts that are traveling around the Earth. It is presented an analysis of the stability of a near-circular orbit and a study to know under which conditions this orbit remains near-circular. A study of the equatorial orbits is also performed.