Modelagem computacional de óxidos da família das perovskitas

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Phase transitions and interface phenomena in the cryogenic temperature domain of a niobate nanostructured ceramic

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

Effect of the iron doping on the thermal decomposition of the polymeric precursor for the titanium dioxide powder synthesis

The Polymeric Precursor Method has proved suitable for synthesizing reactive powders using low temperatures of calcination, especially when compared with conventional methods. However, during the thermal decomposition of the polymeric precursor the combustion event can be releases an additional heat that raises the temperature of the sample in several tens of degrees Celsius above the set temperature of the oven. This event may be detrimental to some material types, such as the titanium dioxide semiconductor. This ceramic material has a phase transition at around 600 ° C, which involves the irreversible structural rearrangement, characterized by the phase transition from anatase to rutile TiO2 phase. The control of the calcination step then becomes very important because the efficiency of the photocatalyst is dependent on the amount of anatase phase in the material. Furthermore, use of dopant in the material aims to improve various properties, such as increasing the absorption of radiation and in the time of the excited state, shifting of the absorption edge to the visible region, and increasing of the thermal stability of anatase. In this work, samples of titanium dioxide were synthesized by the Polymeric Precursor Method in order to investigate the effect of Fe (III) doping on the calcination stages. Thermal analysis has demonstrated that the Fe (III) insertion at 1 mol% anticipates the organic decomposition, reducing the combustion event in the final calcination. Furthermore, FTIR-PAS, XRD and SEM results showed that organic matter amount was reduced in the Fe (III)-doped TiO2 sample, which reduced the rutile phase amount and increased the reactivity and crystallinity of the powder samples.

Um estudo teórico e experimental de nanoestruturas de 'ZnS': propriedades físicas e químicas

Pós-graduação em Química - IQ

New features of the morphotropic phase boundary in the PbZrO 3-PbTiO3 system: A Raman spectroscopy study

In this work we present a Raman study of PbZr1-xTi xO3 ceramics with composition values close to the morphotropic phase boundary region. The analysis of the Raman spectra leads to the determination of the monoclinic phase extension at different temperatures in a very good agreement with those determined by diffraction techniques. Therefore the obtained results show that Raman spectroscopy is a powerful and suitable technique to study structural phase transitions in PbZr 1-xTixO3. © 2002 Taylor & Francis.

Estudo das propriedades físicas de sistemas ferroelétricos com estruturas tipo Aurivillius

Pós-graduação em Ciência dos Materiais - FEIS

Studies on the encapsulation of diclofenac in small unilamellar liposomes of soya phosphatidylcholine

The encapsulation of acid (AD) and sodium diclofenac (SD) in small unilamellar liposomes (SUV) as well as the interactions of the drug with the bilayer was studied. SUV was prepared by sonication from multilamellar liposomes containing soya phosphatidylcholine and diclofenac at various proportions. The size distribution obtained from dynamic light scattering showed that the incorporation of SD decreases significantly the size of the liposomes suggesting that the drug interacts with the bilayer of the liposomes. This size decrease is related with the phase transition of liposomes to mixed micelar solution. The encapsulation of the hydrophilic dye indocyanine green in the aqueous compartment of liposomes showed that the rate of captured dye decreases with SD concentration suggesting the transition of liposomes to mixed micelles. The P-31 NMR analysis indicates that SD interacts with the phosphate of phosphatidylcholine head groups. A schematic model for interaction of SD with phosphatidylcholine of the liposomes in which the diclofenac anion interacts with the ammonium group of the phospholipid and the dichloropheryl ring occupies a more internal site of bilayer near phosphate group was proposed. (C) 2004 Elsevier B.V. All rights reserved.

Investigation in SrTiO3-CaTiO3-PbTiO3 ternary thin films by dielectric proprieties and Raman spectroscopy

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

Domain wall contribution to dielectric and piezoelectric responses in 0.65Pb(Mg1/3Nb2/3)-0.35PbTiO(3) ferroelectric ceramics

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

The effect of chain length on the melting temperature and size of dialkyldimethylammonium bromide vesicles

Differential scanning calorimetry (DSc) and dynamic light scattering (DLS) were used to obtain the gel to liquid-crystalline phase transition temperature (T-m) and the apparent hydrodynamic radius (R-h) of spontaneously formed cationic vesicles of dialkyldimethylammonium bromide salts (CnH2n+1)(2)(CH3)(2)N+center dot Br-, with varying chain lengths. The preparation of cationic vesicles from aqueous solution of these surfactants, for n = 12, 14, 16 and 18 (DDAB, DTDAB, DHDAB and DODAB, respectively), requires the knowledge of the surfactant gel to liquid-crystalline phase transition temperature, or melting temperature (T-m) since below this temperature these surfactants are poorly or not soluble in water. That series of cationic surfactants has been widely investigated as vesicle-forming surfactants, although C-12 and C-18, DDAB and DODAB are by far the most investigated from this series. The dependence of T-m of these surfactants on the number n of carbons in the surfactant tails is reported. The T-m obtained by DSC increases non-linearly with n, and the vesicle apparent radius R-h is about the same for DHDAB and DODAB, but much smaller for DDAB. (c) 2006 Elsevier B.V.. All rights reserved.

Using a one-dimensional lattice applied to the thermodynamic study of DNA

In this work it is analyzed a one-dimensional lattice which is composed by mass-spring systems with one additional Rosen-Morse potential on site. This kind of lattice is used to study thermodynamic properties of DNA, especially its thermal denaturation. on the context of this work, the Rosen-Morse potential simulates hydrogen bonds between double strands of the molecule. From the graphic of the average stretching of base pairs versus temperature it is possible to observe the thermal denaturation of the system. This result shows that it is possible to obtain phase transition with an asymmetric potential without an infinite barrier.

Interaction of amphiphilic derivatives of chitosan with DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

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

Stability of atomic condensed systems with attractive two-body interactions

In the present report, we review recent investigations that we have conducted on the stability of atomic condensed systems, when the two-body interaction is attractive. In particular, the dynamics that occurs in the condensate due to nonconservative terms is considered in the context of an extension of the mean-field Gross-Pitaevskii approximation. Considering the relative intensity of the nonconservative parameters, chaotic and solitonic solutions are verified. Also discussed is the possibility of a liquid-gas phase transition in the presence of positive three-body elastic collisions.

Atomic Bose-Einstein condensation with three-body interactions and collective excitations

The stability of a Bose-Einstein condensed state of trapped ultra-cold atoms is investigated under the assumption of an attractive two-body and a repulsive three-body interaction. The Ginzburg-Pitaevskii-Gross (GPG) nonlinear Schrodinger equation is extended to include an effective potential dependent on the square of the density and solved numerically for the s-wave. The lowest collective mode excitations are determined and their dependences on the number of atoms and on the strength of the three-body force are studied. The addition of three-body dynamics can allow the number of condensed atoms to increase considerably, even when the strength of the three-body force is very small compared with the strength of the two-body force. We study in detail the first-order liquid-gas phase transition for the condensed state, which can happen in a critical range of the effective three-body force parameter.

Quantum state density and critical temperature in M-theory

We discuss the asymptotic properties of quantum states density for fundamental p-branes which can yield a microscopic interpretation of the thermodynamic quantities in M-theory. The matching of the BPS part of spectrum for superstring and supermembrane gives the possibility of getting membrane's results via string calculations. In the weak coupling limit of M-theory, the critical behavior coincides with the first-order phase transition in the standard string theory at temperature less than the Hagedorn's temperature T-H. The critical temperature at large coupling constant is computed by considering M-theory on manifold with topology R-9 circle times T-2. Alternatively we argue that any finite temperature can be introduced in the framework of membrane thermodynamics.