Attitude stabilization of a rigid spacecraft in the geomagnetic field

An analytical method is proposed to study the attitude stability of a triaxial spacecraft moving in a circular Keplerian orbit in the geomagnetic field. The method is developed based on the electrodynamics effect of the influence of the Lorentz force acting on the charged spacecraft's surface. We assume that the rigid spacecraft is equipped with an electrostatic charged protective shield, having an intrinsic magnetic moment. The main elements of this shield are an electrostatic charged cylindrical screen surrounding the protected volume of the spacecraft. The rotational motion of the spacecraft about its centre of mass due to torques from gravitational force, as well Lorentz and magnetic forces is investigated. The equilibrium positions of the spacecraft in the orbital coordinate system are obtained. The necessary and sufficient conditions for the stability of the spacecraft's equilibrium positions are constructed using Lyapunov's direct method. The numerical results have shown that the Lorentz force has a significant influence on the stability of the equilibrium positions, which can affect the attitude stabilization of the spacecraft. (C) 2007 COSPAR. Published by Elsevier Ltd. All rights reserved.

GCHF basis sets and their application in the electronic structure study of PrMnO3

The approach called generator coordinate Hartree-Fock (GCHF) method is used in the selection of Gaussian basis set [25s18p for O ((3)p), 31s21p14d for Mn (S-6), and 33s22p16d9f for Pr ((4)J)] for atoms. The role of the weight functions in the assessment of the numerical integration range of the GCHF equations is shown. These basis sets are contracted to (25s18p/9s5p), (31s21p14d/9s6p4d), and (33s22pl6d9f118sl2p5d3f) by segmented contraction scheme of Dunning and they are utilized in calculations of Restricted-Open-HF (ROHF) Total and Orbital energies of the (MnO+1)-Mn-3 and (PrO+1)-Pr-1 fragments, to evaluate their quality in molecular studies. The addition of one d polarization function in the contracted (9s5p) basis set for O(P-3) atom and their application with the contracted (9s6p4d), (18s21p5d3f) basis sets for Mn (S-6) and Pr-Pr ((4)j) atoms lead to the electronic structure study of PrMnO3. The dipole moment, the total energy, and total atomic charges properties were calculated and were carried out at ROHF level with the [PrMnO3](2) fragment. The calculated values show that PrMnO3 does not present piezoelectric properties. (C) 2004 Elsevier B.V. All rights reserved.

Theoretical and experimental study of the infrared spectrum of isonicotinamide

The IR-spectrum of the isonicotinamide molecule (C(2)H(2)NC(3)H(2)CONH(2)) is studied by means of theoretical and experimental methods. For an appropriate representation of the molecular environment, Gaussian basis sets to the atoms of these molecule are built and then contracted (5s and 6s5p). For evaluation of the quality of contracted basis sets in molecular calculations, we have accomplished calculations of the total and the orbital (HOMO and HOMO-1) energies in the HF-Roothaan method for the molecule studied. The results obtained with the contracted basis sets [5s/6s5p] are compared to values obtained with our (21s/22s14p) basis sets and with those obtained with the D95, 6-31G, and 6-311G basis sets from literature. It was added one d polarization function in the [6s5p] contracted basis set for C ((3)P) atom, which was used in combination with the basis sets for H ((2)S), N ((4)S). and O((3)P) atoms to calculate the infrared spectrum of isonicotinamide. The calculations were performed at B3LYP level and were compared to corresponding experimental values also obtained in our laboratory. The theoretical results in comparison with the corresponding experimental values indicate a very good interpretation of the IR-spectrum and that the strategy of an appropriate representation of the molecular environment through the basis sets is an effective alternative to investigate vibrational theoretical properties of the nicotinamide molecule. (c) 2006 Published by Elsevier B.V.

Ab initio study of high tridymite by the formalism generator coordinate Hartree-Fock

The Generator Coordinate Hartree-Fock (GCHF) Method is applied to generate extended 14s 8p and 17s 11p Gaussian basis sets for the atoms O and Si, respectively. The role of the weight functions in the assessment of the numerical integration range of the GCHF is shown. The Gaussian basis sets are contracted to [6s4p] O atom and [8s5p] Si atom by the Dunning's segmented contraction scheme. To evaluate the quality of our contracted [6s4p] and [8s5p] bases in molecular calculations we accomplish calculations of total and orbital energies in the Hartree-Fock-Roothaan method for O-2 and SiO molecules. We compare the results obtained with the our (14s 8p) and (17s 11p) bases sets with the of 6-311G basis and with values from the literature. The addition of one d polarization function in the silicon basis and its utilization with the basis for oxygen leads to the calculation of electronic properties and IR Spectrum of high tridymite in space group D-3d. (C) 1999 Elsevier B.V. B.V. All rights reserved.

Production of fructooligosaccharides by the mycelia of Aspergillus japonicus immobilized in calcium alginate

This work describes fructose oligosaccharide (FOS) production by the immobilized mycelia (IM) of a strain of Aspergillus japonicus, isolated from soil. The microorganism was inoculated into 50 mi of medium composed of sugar cane molasses (5.0% of total sugars); yeast powder; 2.0%; K2HPO4, 0.5%; NaNO3, 0.2%; MgSO4. 7H(2)O, 0.05%; KCl, 0.05%, final pH 5.0, and the flasks were agitated in an orbital shaker at 200 rpm for 60 h, at 30 degrees C. The beta-fructofuranosidase activity (Uf), transfructosylating activity (Ut), hydrolyzing activity (Uh), and FOS production were analyzed by high performance liquid chromatography. FOS production was performed in a batch process in a 2-l jar fermenter by IM in calcium alginate beads. The optimum pH and temperature were 5.0-5.6 and 55 degrees C, respectively No loss of activity was observed when the mycelium was maintaned at 60 degrees C for 60 min. Maximum production was obtained using 5.75% (cellular weight/volume) of mycelia (122.4 Ut g(-1)) and 65% sucrose solution (w:v) for 4 h of reaction when the final product reached 61.28% of fetal FOS containing GF(2) (30.56%), GF(3) (26.45%), GF(4) (4.27%), sucrose (9.6%) and glucose (29.10%). In the assay conditions, 23 batches were performed without loss of activity of the IM, showing that the microorganism and the process utilized have potential for industrial applications. (C) 1998 Elsevier B.V. Ltd. All rights reserved.

The origin of photoluminescence in amorphous lead titanate

We discuss the nature of visible photoluminescence at room temperature in amorphous lead titanate in the light of the results of recent experimental and theoretical calculations. Experimental results obtained by XANES and EXAFS revealed that amorphous lead titanate is composed of a Ti-O network having fivefold Ti coordination and NBO-type (non-bridging oxygen) defects. These defects can modify the electronic structure of amorphous compounds. Our calculation of the electronic structure involved the use of first-principle molecular calculations to simulate the variation of the electronic structure in the lead titanate crystalline phase, which is known to have a direct band gap, and we also made an in-depth examination of amorphous lead titanate. The results of our theoretical calculations of amorphous lead titanate indicate that the formation of fivefold coordination in the amorphous system may introduce delocalized electronic levels in the HOMO ( highest occupied molecular orbital) and the LUMO ( lowest unoccupied molecular orbital). A comparison of the experimental and theoretical results of amorphous compounds suggests the possibility of a radiative recombination (electron-hole pairs), which may be responsible for the emission of photoluminescence. (C) 2003 Kluwer Academic Publishers.

Gaussian basis sets to the theoretical study of the electronic structure of perovskite (LaMnO3)

The Generator Coordinate Hartree-Fock (GCHF) method is applied to generate extended (20s14p), (30s19p13d), and (31s23p18d) Gaussian basis sets for the 0, Mn, and La atoms, respectively. The role of the weight functions (WFs) in the assessment of the numerical integration range of the GCHF equations is shown. These basis sets are then contracted to [5s3p] and [11s6p6d] for 0 and Mn atoms, respectively, and [17s11p7d] for La atom by a standard procedure. For quality evaluation of contracted basis sets in molecular calculations, we have accomplished calculations of total and orbital energies in the Hartree-Fock-Roothaan (HFR) method for (MnO1+)-Mn-5 and (LaO1+)-La-1 fragments. The results obtained with the contracted basis sets are compared with values obtained with the extended basis sets. The addition of one d polarization function in the contracted basis set for 0 atom and its utilization with the contracted basis sets for Mn and La atoms leads to the calculations of dipole moment and total atomic charges of perovskite (LaMnO3). The calculations were performed at the HFR level with the crystal [LaMnO3](2) fragment in space group C-2v the values of dipole moment, total energy, and total atomic charges showed that it is reasonable to believe that LaMnO3 presents behaviour of piezoelectric material. (C) 2003 Elsevier B.V. All rights reserved.

Theoretical study of MgO(001) surfaces: Pure, doped with Fe, Ca, and Al, and with and without adsorbed water

Ab initio calculations of large cluster models have been performed in order to study water adsorption at the five-fold coordinated adsorption site on pure Mg(001) and MgO(001) surfaces doped with Fe, Ca, and Al. The geometric parameters of the adsorbed water molecule have been optimized preparatory to analysis of binding energies, charge transfer, preferential sites of interaction, and bonding distances. We have used Mulliken population analysis methods in order to analyze charge distributions and the direction of charge transfer. We have also investigated energy gaps, HOMO energies, and SCF orbital energies as well as the acid-base properties of our cluster model. Numerical results are compared, where possible, with experiment and interpreted in the framework of various analytical models. (C) 2001 John Wiley & Sons, Inc.

Time analysis for temporary gravitational capture - Stable orbits

In a previous work, Vieira Neto & Winter (2001) numerically explored the capture times of particles as temporary satellites of Uranus. The study was made in the framework of the spatial, circular, restricted three-body problem. Regions of the initial condition space whose trajectories are apparently stable were determined. The criterion adopted was that the trajectories do not escape from the planet during an integration of 10(5) years. These regions occur for a wide range of orbital initial inclinations (i). In the present work it is studied the reason for the existence of such stable regions. The stability of the planar retrograde trajectories is due to a family of simple periodic orbits and the associated quasi-periodic orbits that oscillate around them. These planar stable orbits had already been studied (Henon 1970; Huang & Innanen 1983). Their results are reviewed using Poincare surface of sections. The stable non-planar retrograde trajectories, 110 degrees less than or equal to i < 180, are found to be tridimensional quasi-periodic orbits around the same family of periodic orbits found for the planar case (i = 180 degrees). It was not found any periodic orbit out of the plane associated to such quasi-periodic orbits. The largest region of stable prograde trajectories occurs at i = 60 degrees. Trajectories in such region are found to behave as quasi-periodic orbits evolving similarly to the stable retrograde trajectories that occurs at i = 120 degrees.

Optimal space manoeuvres in a non-Keplerian force field

In this work the problem of a spacecraft bi-impulsive transfer between two given non coplanar elliptical orbits, with minimum fuel consumption, is solved considering a non-Keplerian force field (the perturbing forces include Earth gravity harmonics and atmospheric drag). The problem is transformed in the Two Point Boundary Value Problem. It is developed and implemented a new algorithm, that uses the analytical expressions developed here. A dynamics that considered a Keplerian force field was used to produce an initial guess to solve the Two Point Boundary Value Problem. Several simulations were performed to observe the spacecraft orbital behaviour by different kind of perturbations and constraints, on a fuel consumption optimization point of view. (C) 2002 COSPAR. Published by Elsevier B.V. Ltd. All rights reserved.

The role of defect states in the creation of photoluminescence in SrTiO3

We discuss the nature of visible photoluminescence at room temperature in amorphous strontium titanate in the light of the results of a recent experimental and quantum mechanical theoretical study. Our calculation of the electronic structure involves the use of first-principles molecular calculations to simulate the variation of the electronic structure in the strontium titanate crystalline phase, which is known to have a direct band gap, and we also make an in-depth examination of amorphous strontium titanate. The results of our simulations of amorphous strontium titanate indicate that the formation of five-fold coordination in the amorphous system may introduce delocalized electronic levels in the highest occupied molecular orbital and the lowest unoccupied molecular orbital. These delocalized electronic levels are ascribed to the formation of a tail in the absorbance-spectrum curve. Optical absorption measurements experimentally showed the presence of a tail. The results are interpreted by the nature of these exponential optical edges and tails associated with defects promoted by the disordered structure of the amorphous material. We associate them with localized states in the band gap.

Debris perturbed by radiation pressure: relative velocities across circular orbits

In the present work we consider a dynamical system of mum size particles around the Earth subject to the effects of radiation pressure. Our main goal is to study the evolution of its relative velocity with respect to the co-planar circular orbits that it crosses. The particles were initially in a circular geostationary orbit, and the particles size were in the range between 1 and 100 mum. The radiation pressure produces variations in its eccentricity, resulting in a change in its orbital velocity. The results indicated the maximum linear momentum and kinetic energy increases as the particle size increases. For a particle of 1 mum the kinetic energy is approximately 1.56 x 10(-7) J and the momentum is 6.27 x 10(-11) kg m/s and for 100 mum the energy is approximately 1.82 x 10(-4) J and the momentum is 2.14 x 10(-6) kg m/s. (C) 2004 COSPAR. Published by Elsevier Ltd. All rights reserved.

The Liapunov exponent as a tool for exploring phase space

We have used the Liapunov exponent to explore the phase space of a dynamical system. Considering the planar, circular restricted three-body problem for a mass ratio mu = 10(-3) (close to the Jupiter/Sun case), we have integrated similar to 16,000 starting conditions for orbits started interior to that of the perturber and we have estimated the maximum Liapunov characteristic exponent for each starting condition. Despite the fact that the integrations, in general, are for only a few thousand orbital periods of the secondary, a comparative analysis of the Liapunov exponents for various values of the 'cut-off' gives a good overview of the structure of the phase space. It provides information about the diffusion rates of the various chaotic regions, the location of the regular regions associated with primary resonances and even details such as the location of secondary resonances that produce chaotic regions inside the regular regions of primary resonances.

Investigation of piezoelectricity in perovskite (LaFeO3): A theoretical study

In a previous report we studied theoretically the piezoelectric effect in barium titanate (BaTiO3) [O. Treu Filho, J.C. Pinheiro, R.T. Kondo, J. Mol. Struct. (THEOCHEM), 671 (2004) 71]. In this article we applied the Hartree-Fock (HF) theory in the investigation of piezoelectricity in LaFeO3. Initially, the generator coordinate HF (GCHF) method was used to build 22s14p, 30s19p13d, and 32s24p17d Gaussian basis sets for O(3p), Fe(D-5), and La(D-2) atoms. Then those basis sets were contracted to [7s6p], [13s8p6d], and [18s13p7d], respectively. The quality of the contracted basis sets in polyatomic calculations was evaluated through calculations of total and orbital energies (HOMO and HOMO-1) of (FeO1+)-Fe-2 and (LaO1+)-La-1. Finally, the contracted basis sets were supplemented with polarization and diffuse functions and used to investigate the piezoelectricity in LaFeO3. The calculated properties were dipole moment, total energy, and atomic charges and the analysis of those properties showed that covalent bonds constitute the electronic structure of [LaFCO3](2) fragment. Therefore, it is reasonable to believe that LaFeO3 does not present piezoelectric properties. (C) 2006 Elsevier B.V. All rights reserved.

Moonlets wandering on a leash-ring

Since the Voyager flybys, embedded moonlets have been proposed to explain some of the surprising structures observed in Saturn's narrow F ring. Experiments conducted with the Cassini spacecraft support this suggestion. Images of the F ring show bright compact spots, and seven occultations of stars by the F ring, monitored by ultraviolet and infrared experiments, revealed nine events of high optical depth. These results point to a large number of such objects, but it is not clear whether they are solid moonlets or rather loose particle aggregates. Subsequent images suggested an irregular motion of these objects so that a determination of their orbits consistent with the F ring failed. Some of these features seem to cross the whole ring. Here we show that these observations are explained by chaos in the F ring driven mainly by the 'shepherd' moons Prometheus and Pandora. It is characterized by a rather short Lyapunov time of about a few hundred orbital periods. Despite this chaotic diffusion, more than 93 per cent of the F-ring bodies remain confined within the F ring because of the shepherding, but also because of a weak radial mobility contrasted by an effective longitudinal diffusion. This chaotic stirring of all bodies involved prevents the formation of 'propellers' typical of moonlets, but their frequent ring crossings explain the multiple radial 'streaks' seen in the F ring. The related 'thermal' motion causes more frequent collisions between all bodies which steadily replenish F-ring dust and allow for ongoing fragmentation and re-accretion processes (ring recycling).