Competition between spin, charge, and bond waves in a Peierls-Hubbard model

We study a one-dimensional extended Peierls-Hubbard model coupled to intracell and intercell phonons for a half-filled band. The calculations are made using the Hartree-Fock and adiabatic approximations for arbitrary temperature. In addition to static spin, charge, and bond density waves, we predict intermediate phases that lack inversion symmetry, and phase transitions that reduce symmetry on increasing temperature.

Insulator-to-metal transition driven by clustering of solitons in polyacetylene

It's believed that the simple Su-Schrieffer-Heeger Hamiltonian can not predict the insulator to metal transition of transpolyacetylene (t-PA). The soliton lattice configuration at a doping level y=6% still has a semiconductor gap. Disordered distributions of solitons close the gap, but the electronic states around the Fermi energy are localized. However, within the same framework, it is possible to show that a cluster of solitons can produce dramatic changes in the electronic structure, allowing an insulator-to-metal transition.

Q-deformed fermionic Lipkin model at finite temperature

The interplay between temperature and q-deformation in the phase transition properties of many-body systems is studied in the particular framework of the collective q-deformed fermionic Lipkin model. It is shown that in phase transitions occuring in many-fermion systems described by su(2)q-like models are strongly influenced by the q-deformation.

Preparation and characterization of SrBi2Nb2O9 thin films made by polymeric precursors

A polymeric precursor solution was employed in preparing SrBi2Nb2O9 (SBN) powder and thin films dip coated onto Si(100) substrate. XRD results show that the SBN perovskite phase forms at temperatures as low as 600°C through an intermediate fluorite phase. This fluorite phase is observed for samples heat-treated at temperatures of 400 and 500°C. After heat treatment at temperatures ranging from 300 to 800°C, thin films were shown to be crack free. Grazing incident angle XRD characterization shows the occurrence of the fluorite intermediate phase for films also. The thickness of films, measured by MEV, was in the order of 80-100 nm.

Smooth landscape solvent dynamics in electron transfer reactions

Solvent effects play a major role in controlling electron-transfer reactions. The solvent dynamics happens on a very high-dimensional surface, and this complex landscape is populated by a large number of minima. A critical problem is to understand the conditions under which the solvent dynamics can be represented by a single collective reaction coordinate. When this unidimensional representation is valid, one recovers the successful Marcus theory. In this study the approach used in a previous work [V. B. P. Leite and J. N. Onuchic; J. Phys. Chem. 100, 7680 (1996)] is extended to treat a more realistic solvent model, which includes energy correlation. The dynamics takes place in a smooth and well behaved landscape. The single shell of solvent molecules around a cavity is described by a two-dimensional system with periodic boundary conditions with nearest neighbor interaction. It is shown how the polarization-dependent effects can be inferred. The existence of phase transitions depends on a factor y proportional to the contribution from the two parameters of the model. For the present model, γ suggests the existence of weak kinetic phase transitions, which are used in the analysis of solvent effects in charge-transfer reactions. © 1999 American Institute of Physics.

Variational studies and replica symmetry breaking in the generalization problem of the binary perceptron

We analyze the average performance of a general class of learning algorithms for the nondeterministic polynomial time complete problem of rule extraction by a binary perceptron. The examples are generated by a rule implemented by a teacher network of similar architecture. A variational approach is used in trying to identify the potential energy that leads to the largest generalization in the thermodynamic limit. We restrict our search to algorithms that always satisfy the binary constraints. A replica symmetric ansatz leads to a learning algorithm which presents a phase transition in violation of an information theoretical bound. Stability analysis shows that this is due to a failure of the replica symmetric ansatz and the first step of replica symmetry breaking (RSB) is studied. The variational method does not determine a unique potential but it allows construction of a class with a unique minimum within each first order valley. Members of this class improve on the performance of Gibbs algorithm but fail to reach the Bayesian limit in the low generalization phase. They even fail to reach the performance of the best binary, an optimal clipping of the barycenter of version space. We find a trade-off between a good low performance and early onset of perfect generalization. Although the RSB may be locally stable we discuss the possibility that it fails to be the correct saddle point globally. ©2000 The American Physical Society.

Effects of temperature and of the addition of accelerating and retarding agents on the kinetics of hydration of tricalcium silicate

The formation of calcium silicate hydrates (C-S-H) during the hydration of tricalcium silicate (C3S) in pure water and in water solutions containing 1% CaCl2 (accelerator) and 0.01% saccharose (retarder) was studied by small-angle X-ray scattering (SAXS). SAXS measurements were performed under isothermal conditions within the temperature range 25 °C T < 52 °C. The experimental results indicate that the time variation of the mass fraction of the C-S-H product phase, α(f), can be fitted, under all conditions of paste setting, by Avrami equation, α(t) = 1 -exp(-(kt)′), k being a rate parameter and n an exponent depending on the characteristics of the transformation. The parameter n is approximately equal to 2 for hydration of C^S in pure water. Depending on temperature, n varies from 2 to 2.65 for hydration in the presence of CaC^ and saccharose. The value n = 2 is theoretically expected for lateral growth of thin C-S-H plates of constant thickness. The time dependence of SAXS intensity indicates that the transformed phase (C-S-H) consists of colloidal particles in early stages of hydration, evolving by two-dimensional growth toward a disordered lamellar structure composed of very thin plates. The activation energy ΔE for the growth of C-S-H phase was determined from the time dependence of X-ray scattering intensity. These data were obtained by in situ measurements at different temperatures of hydration. The values of ΔE are 37.7, 49.4, and 44.3 kJ/mol for hydration in pure water and in water solutions containing CaCl2 and saccharose, respectively. © 2000 American Chemical Society.

Microstructural characteristics and electrochemical behavior of Co3O4 sintered electrodes

Co3O4 can be used as electrocatalyst for oxygen evolution reaction. The macro and microstructure of the oxide, obtained by compacting and sintering lithium-doped Co3O4 powder in atmosphere of dry air and in conditions of controlled temperature and time was analyzed by metallographic techniques. The porous material was characterized by XRD, SEM and EDS combined techniques. For working temperatures up to 1200°C, the pellet was consituted of particles with varying sizes over a wide range of particle size and, at higher temperatures CoO is formed and polymorphic transformation was observed. The materials were also characterized electrochemically in alkaline media by open circuit potential and potentiodynamic I/E measurements. The results were compared to those previously prepared by others by thermal deposition.

Preparation of 9.5/65/35 PLZT powders by organic precursor method

In this study the preparation of 9.5/65/35 PLZT ceramic powders were investigated. The powders with the formula Pb0.905La0.095(Zr0.65 Ti0.35)0.976O3 + 3.5 w% PbO were prepared using Pechini process and partial oxalate method. The powder phase formation, powder morphology, and green density of PLZT were shown.

Autosolitons in trapped Bose-Einstein condensates with two- and three-body inelastic processes

The conditions for the existence of autosolitons were considered in trapped Bose-Einstein condensates with attractive atomic interactions. The expression for the parameters of the autosoliton was derived using the time-dependent variational approach for the nonconservative 3-dimensional Gross-pitaevskii equation and their stability was checked. The results were in agreement with the exact numerical calculations. It was shown that the transition from unstable to stable point solely depends on the magnitude of the parameters.

Preparation and characterization of spherical yttrium iron garnet via coprecipitation

The purpose of this work is to obtain spherical particles yttrium iron garnet (YIG) by coprecipitation technique. The spherical particles were obtained from either nitrate or chloride salt solutions by controlling the precipitation medium. Different agents of dispersion such as PVP and ammonium iron sulfate were used to optimize the shape and size of YIG. Samples were characterized by X-ray diffraction, scanning electron microscopy and vibrating sample magnetometry. The results show that the samples phase transition takes place at 850°C (orthorhombic phase) and at 1200°C (cubic phase). Spherical shape particles, with diameter of around 0.5 μm, present magnetization values close to the bulk value (26 emu g -1). © 2001 Elsevier Science B.V. All rights reserved.

Interfacial concentrations of chloride and bromide and selectivity for ion exchange in vesicles prepared with dioctadecyldimethylammonium halides, lipids, and their mixtures

The local concentrations of chloride, Cl b, and bromide, Br b, in the interface of vesicles prepared with dioctadecyldimethylammonium chloride, DODAC, or bromide, DODAB, dipalmitoylphosphatidylcholine, DPPC, dimyristoylphosphatidylcholine, DMPC, and mixtures of DMPC, DPPC, and DODAC were determined by chemical trapping by analyzing product yields from spontaneous dediazoniation of vesicle-bound 2,6-dimethyl-4-hexadecylbenzenediazonium ion. The values of Cl b and Br b in DODAC and DODAB vesicles increase with vesicle size, in agreement with previous data showing that counterion dissociation decreases with vesicle size. Addition of tetramethylammonium chloride displaces bromide from the DODAB vesicular interface. The value for the selectivity constant for Br/Cl exchange at the DODAB vesicular interface obtained by chemical trapping was ∼2.0, well within values obtained for comparable amphiphiles. In vesicles of DPPC the values of Cl b were very sensitive to the nature of the cation and decreased in the order Ca 2+ > Mg 2+ > Li + > Na + > K + = Cs + = Rb + ≥ +. The effect of the cation becomes more important as temperature increases above the phase transition temperature, T m, of the lipid. The values of Cl b increased sigmoidally with the mol % of DODAC in vesicles prepared with DODAC/lipid mixtures. In sonicated vesicles prepared with DODAC and DMPC (or DPPC), the values of Cl b reach local concentrations measured for the pure amphiphile at 80 mol % DODAC. These results represent the first extensive study of local concentration of ions determined directly by chemical trapping in vesicles prepared with lipids, synthetic ampliiphiles, and their mixtures.

Effect of compatibilizer in acrylonitrile-butadiene-styrene toughened nylon 6 blends: Ductile-brittle transition temperature

The ductile-brittle transition temperatures were determined for compatibilized nylon 6/acrylonitrile-butadiene-styrene (PA6/ABS) copolymer blends. The compatibilizers used for those blends were methyl methacrylate-co-maleic anhydride (MMA-MAH) and MMA-co-glycidyl methacrylate (MMA-GMA). The ductile-brittle transition temperatures were found to be lower for blends compatibilized through maleate modified acrylic polymers. At room temperature, the PA6/ABS binary blend was essentially brittle whereas the ternary blends with MMA-MAH compatibilizer were supertough and showed a ductile-brittle transition temperature at -10°C. The blends compatibilized with maleated copolymer exhibited impact strengths of up to 800 J/m. However, the blends compatibilized with MMA-GMA showed poor toughness at room temperature and failed in a brittle manner at subambient temperatures.

Influence of the processing conditions and corona poling on the morphology of β-PVDF

The α → β phase transformation of PVDF through the stretching process at different temperatures was investigated. The optimum stretching conditions were studied and characterised by infrared spectroscopy and differential scanning calorimetry. The maximum β-phase content was achieved at 80°C and a stretch ratio of 5. These samples were poled at several electric fields by the corona charge method. The effect of the electric field on the phase transformation was studied by infrared spectroscopy.

Anelastic spectroscopy in superconducting oxides

Since the discovery of the high Tc superconductors, several works have been made about the different properties of these materials. Anelastic spectroscopy experiments are sensitive tools to the study of defects in solids and phase transitions. By this technique, we can distinguish the different types of atomic jumps that happen to different temperatures. The intensity of the peaks in the anelastic spectrum and the step in the torsional modulus are related with the concentration of the relaxing entities, and the position of the peaks is determined by its mobility. In this paper, the study on Bi and Sm based superconducting oxides was made by anelastic relaxation measurements using a torsion pendulum. The samples were submitted to successive thermal treatments in high vacuum, in the temperature range between 100 K and 650 K, heating rate about 1 K/min. For Bi based superconducting oxides the results shown two peaks, that were associated to interstitial oxygen mobility and to orthorhombic to monoclinic phase transition. For Sm based superconducting oxides the results shown a relaxation peak that was attributed to the jumps of the oxygen atoms in the inter-chains O1 and 05 of the lattice.