Repositório RCAAP

The electron paramagnetic resonance(EPR) parameters g-factors g i(i = x,y,z) and the hyperfine structure constants Ai for the substitutional Mo5+ in rutile are theoretically studied from the perturbation formulas of these parameters for a d¹ ion in a rhombically compressed octahedron. On the basis of the studies, The oxygen octahedron around Mo5+ is found to transform from the original elongation on the host Ti4+ site to compression in the impurity center due to the Jahn-Teller effect. The calculated EPR parameters based on the above local structure in this work are in good agreement with the experimental data.

The blue thermoluminescence (TL) emission of different thermally annealed (i) β-eucryptite (LiAlSiO4), (ii) virgilite-petalite (LiAlSi5O12) and (iii) virgilite-petalite-bikitaite (LiAlSi10O22) mixed crystals have been studied. The observed changes in the TL glow curves could be linked to simultaneous processes taking place in the lithium aluminosilicate lattice structure (phase transitions, consecutive breaking linking of bonds, alkali self-diffusion, redox reactions, etc). The stability of the TL signal after four months of storage performed at RT under red light, shows big differences between annealed (12 hours at 1200ºC) and non-annealed samples. The fading process in non-annealed samples can be fitted to a first-order decay mathematical expression; however preheated samples could not be reasonably fitted due to the highly dispersion detected. The changes observed in the X-ray diffractograms are in the intensity of the peaks that denote modifications in the degree of crystallinity and, in addition, there are some differences in the appeareance of new peaks that could suppose new phases (e.g. β-spodumene).

Lead-free ceramics Ba(Zr xTi1-x)O3 (x = 0.02-0.2) were prepared using a solid-state reaction technique. The structural and electrical properties were systemically investigated. Crystalline structures and microstructures were analyzed by X-ray diffraction and scanning electron microscope (SEM) at room temperature. All the samples possess pure perovskite structure. A small amount of Zr content has great effect on the microstructure of Ba(Zr xTi1-x)O3 ceramics. The homogeneous microstructure with grain size about 30µm is obtained for the sample at x = 0.05. The phase transitions merge together in one peak for the samples at x = 0.10 and the highest dielectric constant 15900 is obtained for the sample at x = 0.15. The Ba(Zr xTi1-x)O3 ceramics at x=0.05 exhibit excellent piezoelectric properties of high d33 = 208 pC/N, k p = 31.5% and Qm = 500.

We have investigated the pentacene based Organic Thin Film Transistors (OTFTs) with High-k Dielectric Nd2O3. Use of high dielectric constant (high-k) gate insulator Nd2O3 reduces the threshold voltage and sub threshold swing of the OTFTs. The calculated threshold voltage -2.2V and sub-threshold swing 1V/decade, current ON-OFF ratio is 1.7 × 10(4) and mobility is 0.13cm²/V.s. Pentacene film is deposited on Nd2O3 surface using two step deposition method. Deposited pentacene film is found poly crystalline in nature.

The electron paramagnetic resonance (EPR) parameters (g factors and the hyperfine structure constants) for Ni2+ and Co+ in MgO are theoretically studied from the perturbation formulas of these parameters for a 3d8 ion in octahedral crystal-fields. In the computations, the ligand orbital and spin-orbit coupling contributions are taken into account using the cluster approach. The calculated EPR parameters are in good agreement with the experimental data. The larger g factor and the smaller magnitude of the hyperfine structure constant for Ni2+ as compared with those for Co+ can be attributed to the higher spin-orbit coupling coefficient and the lower dipolar hyperfine structure parameter of the former, respectively.

The Hubble parameter, a function of the cosmological redshift, is derived from the Friedmann-Robertson-Walker equation. The three physical parameters H0, Ω0m and ΩΛ are determined fitting the Hubble parameter to the data from measurements of redshift and luminosity distances of type-Ia supernovae. The best fit is not consistent with the flatness constraint (k = 0). On the other hand, the flatness constraint is imposed on the Hubble parameter and the physical parameters used are the published values of the standard model of cosmology. The result is shown to be inconsistent with the data from type-Ia supernovae.

In this work, we show that a class of metric-affine gravities can be reduced to a Riemann-Cartan one. The reduction is based on the cancelation of the nonmetricity against the symmetric components of the spin connection. A heuristic proof, in the Einstein-Cartan formalism, is performed in the special case of diagonal unitary tangent metric tensor. The result is that the nonmetric degrees of freedom decouple from the geometry. Thus, from the point of view of isometries on the tangent manifold, the equivalence might be viewed as an isometry transition from the affine group to the Lorentz group, A(d,R) → SO(d). Furthermore, in this transition, depending on the form of the starting action, the nonmetricity degrees might present a dynamical matter field character, with no geometric interpretation in the Riemann-Cartan geometry.

We consider a two-dimensional conformal field theory which contains two kinds of the bosonic degrees of freedom. Two linear dilaton fields enable us to study a more general case. Various properties of the model such as OPEs, central charge, conformal properties of the fields and associated algebras will be studied.

We find a link between oriented matroid theory and 2d gravity with torsion. Our considerations may be useful in the context of noncommutative phase space in a target spacetime of signature (2+2) and in a possible theory of gravity ramification.

In order to study the interaction between γ-Fe and carbon, the geometry structures, surface relaxations, adsorption energies and electronic structures for carbon chemisorption at four different adsorption sites on γ-Fe(111) surface at a monolayer coverage of 1 were studied using density functional theory. The electronic structures were compared with the chemisorption of carbon on nickel (111) at the fcc hollow site. Based on the computational adsorption energies, the relative stabilities were described as follows: hcp hollow ≈ fcc hollow > top-on site, whereas the atomic carbon can not occupy the bridge sites stably. The partial density of states indicated the strong C(2p)-Fe(3d, 4s+p) and the wide C(2s+p)-Fe(3d) ionic bonds, which largely confined the electrons of the surface iron. Accordingly, the number of orbitals at the Fermi level for the iron in the surface is obviously less than that in the subsurface. Moreover, comparing the carbon chemisorptions on γ-Fe and nickel surface at the fcc hollow site, one could see that the number of orbitals at the Fermi level for carbon adsorbed on γ-Fe(111) is less than on Ni(111) surface. This could imply the weaker catalysis of γ-Fe than nickel for carbon atom.

The conductivity (K) of porous media represents an important physical parameter in several areas of knowledge. In saturated flow, the saturated conductivity (K0) is the most important parameter of porous system and it is related to the fluid and porous media properties. In order to evaluate the potential of a new tool for measuring K0, such as the computational simulation with Boltzmann models for fluid flows, two experiments were carried out using two simplified media: 1) a cylindrical cavity and 2) a cavity having a parallelepiped shape. Both have simple geometries that allow analytical K0 solutions in order to compare with the experimental and simulated results. Glycerin was used as infiltrate fluid due to its high viscosity that permits laminar flows and the use of Darcy's law to evaluate K0. The results demonstrate a good agreement among techniques (experimental, computational, and analytical) of K0 determination for cavities that present Reynolds number (Re) smaller than one.

We study a model with decay of dark energy and creation of the dark matter particles. We integrate the field equations and find the transition redshift where the evolution process of the universe change the accelerated expansion, and discuss the luminosity distance, acoustic oscillations and the statefinder parameters.

An electron direct tunneling current model of n+- poly - Si/SiO2/p - Si(100) metal-oxide-semiconductor (MOS) capacitors has been developed by considering a parallel-perpendicular kinetic energy coupling, which is represented by the gate electron phase velocity, and anisotropic masses under a parabolic E-k dispersion relationship. The electron effective mass in the oxide and the electron phase velocity in the n+ poly-Si gate are the only two fitting parameters to compare calculated tunneling currents to measured ones. It was obtained that the calculated tunneling currents fit well to the measured ones. The electron effective mass in the oxide layer tends to increase with decreasing the oxide thickness. In addition, the gate electron velocity is a constant of 1x10(5)m/s. Moreover, the theoretical model offers a simple treatment and an accurate result in obtaining the tunneling current.

This paper deals with the emission of gravitational radiation in the context of a previously studied metric nonsymmetric theory of gravitation. The part coming from the symmetric part of the metric coincides with the mass quadrupole moment result of general relativity. The one associated to the antisymmetric part of the metric involves the dipole moment of the fermionic charge of the system. The results are applied to binary star systems and the decrease of the period of the elliptical motion is calculated.

Accelerators Driven Systems (ADS) are an innovative type of nuclear system, which is useful for long-lived fission product transmutation and fuel regeneration. The ADS consist of a coupling of a sub-critical nuclear core reactor and a proton beam produced by particle accelerator. These particles are injected into a target for the neutrons production by spallation reactions. This target is of utmost importance for an ADS, representing the coupling of the accelerator and the sub-critical core. The determination of optimal materials for these targets is fundamental for the design of an ADS. The main characteristic of an ideal target is the high production of neutrons per incident proton. In this work are shown results for the neutron production of various types of targets using the MCNPX 2.6.0 code. Furthermore, it is performed a comparative study of transport models to describe the spallation reactions available in this code.

We investigate the effect of clusters in complex networks on efficiency dynamics by studying a simple efficiency model in two coupled small-world networks. It is shown that the critical network randomness corresponding to transition from a stagnant phase to a growing one decreases to zero as the connection strength of clusters increases. It is also shown for fixed randomness that the state of clusters transits from a stagnant phase to a growing one as the connection strength of clusters increases. This work can be useful for understanding the critical transition appearing in many dynamic processes on the cluster networks.

A methodology for ion-polymer interaction estimation is discussed in the present work. This method is based on the inversion of experimental spin echo NMR data using Hopfield neural network to retrieve transverse relaxation time distributions. The adopted model systems consist of aqueous solutions of poly (ethylene oxide), molar mass 1500, 4000 and 35000 γ mol-1 and sodium nitroprusside (NP) at different concentrations. Dipolar interaction is investigated in this work through the reduction in the transverse relaxation time and increase in the area under the distribution curves of the PEO protons which presented a linear correlation with the NP concentration. Neural network results were compared with the Simplex optimization procedure and experimental NMR values. The proposed methodology is robust, stable, non restrictive in relation to the system and more efficient to handle experimental data.

Electron paramagnetic resonance spectroscopy has been used for the study of the free radicals produced in the powders of L-arginine monohydrochloride, ala-ala and DL-β-leucine gamma-irradiated at room temperature. The structures of the radicals formed in compounds were determined as NH2(NH)NHCHCH2CH2CH(NH2)COOH, CH3CHCOOH and (CH3)2C CH(NH2)CH2COOH respectively. The paramagnetic species were found to be stable at room temperature more than three months. It was determined that unpaired electron interacted with nearby protons and 14N nucleus in these radicals. The g values of the radicals and the hyperfine structure constants of the free electron were also measured. These results were compared with the earlier studies in amino acid and derivatives radicals and discussed.

We evaluate the effective potential for the conventional linear Walecka non perturbatively up to one loop. This quantity is then renormalized with a prescription which allows finite vacuum contributions to the three as well as four 1PI Green's functions to survive. These terms, which are absent in the standard relativistic Hartree approximation, have a logarithmic energy scale dependence that can be tuned so as to mimic the effects of ø³ and ø4 type of terms present in the non linear Walecka model improving quantities such as the compressibility modulus and the effective nucleon mass, at saturation, by considering energy scales which are very close to the nucleon mass at vanishing density.

In this work we determined a vortex dynamics equation in a temperature gradient in the frame of the time dependent Ginzburg-Landau equation. In this sense, we derived a local solvability condition, which governs the vortex dynamics. Also, we calculated the explicit form for the force coefficients, which are the keys for the understanding of the balance equation due to vortex interactions with the environment.