Hybrid reflections in InGaP/GaAs(001) by synchrotron radiation multiple diffraction

Hybrid reflections (HRs) involving substrate and layer planes (SL type) [Morelhao et al., Appl. Phys. Len. 73 (15), 2194 (1998)] observed in Chemical Beam Epitaxy (CBE) grown InGaP/GaAs(001) structures were used as a three-dimensional probe to analyze structural properties of epitaxial layers. A set of (002) rocking curves (omega-scan) measured for each 15 degrees in the azimuthal plane was arranged in a pole diagram in phi for two samples with different layer thicknesses (#A -58 nm and #B - 370 nm) and this allowed us to infer the azimuthal epilayer homogeneity in both samples. Also, it was shown the occurrence of (1 (1) over bar3) HR detected even in the thinner layer sample. Mappings of the HR diffraction condition (omega:phi) allowed to observe the crystal truncation rod through the elongation of HR shape along the substrate secondary reflection streak which can indicate in-plane match of layer/substrate lattice parameters. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Magnetism of Co overlayers and nanostructures on W(001): A first-principles study

The magnetic properties of Co nanostructures and a Co monolayer on W(001) have been studied in the framework of density functional theory. Different geometries such as planar and three-dimensional clusters have been considered, with cluster sizes varying between 2 and 13 atoms. The calculations were performed using the real-space linear muffin-tin orbital method (RS-LMTO-ASA). With respect to the stability of the magnetic state, we predict an antiferromagnetic (AFM) structure for the ground state of the planar Co clusters and a ferromagnetic (FM) state for the three-dimensional clusters. For the three-dimensional clusters, one of the AFM arrangements leads to frustration due to the competing FM and AFM exchange interactions between different atoms in the cluster, and gives rise to a non-collinear state with energy close to that of the FM ground state. The relative role of the Co-Co and Co-W exchange interactions is also investigated. (C) 2007 Elsevier B.V. All rights reserved.

Crystal and molecular structures of three 2-sulphur-substituted cyclohexanones studied by X-ray crystallography and by ab initio molecular orbital calculations

The conformational features of three 2-sulphur-substituted cyclohexanone derivatives, which differ in the number of sulphur-bound oxygen atoms, i.e. zero (I), one (II) and two (III), were investigated by single crystal X-ray crystallography and geometry optimized structures determined using Hartree-Fock method. In each of (I)-(III) an intramolecular S center dot center dot center dot O(carbonyl) interaction is found with the magnitude correlated with the oxidation state of the sulphur atom, i.e. 2.838(3) angstrom in (I) to 2.924(2) angstrom in (II) to 3.0973(18) angstrom in (III). There is an inverse relationship between the strength of this interaction and the magnitude of the carbonyl bond. The supramolecular aggregation patterns are primarily determined by C-H center dot center dot center dot O contacts and are similarly influenced by the number of oxygen atoms in the molecular structures. Thus, a supramolecular chain is found in the crystal structure of (I). With an additional oxygen atom available to participate in C-H center dot center dot center dot O interactions, as in (II), a two-dimensional array is found. Finally, a three-dimensional network is found for (III). Despite there being differences in conformations between the experimental structures and those calculated in the gas-phase, the S center dot center dot center dot O interactions persist. The presence of intermolecular C-H center dot center dot center dot O interactions involving the cyclohexanone-carbonyl group in the solid-state, disrupts the stabilising intramolecular C-H center dot center dot center dot O interaction in the energetically-favoured conformation. (I): C(12)H(13)NO(3)S, triclinic space group P (1) over bar with a = 5.392(3) angstrom b = 10.731(6) angstrom, c = 11.075(6) angstrom, alpha = 113.424(4)degrees, beta = 94.167(9)degrees, gamma = 98.444(6)degrees, V = 575.5(6) angstrom(3), Z = 2, R(1) = 0.052; (II): C(12)H(13)NO(4)S, monoclinic P2(1)/n, a = 7.3506(15) angstrom, b = 6.7814(14) angstrom, c = 23.479(5) angstrom, beta = 92.94(3)degrees, V = 1168.8(4) angstrom(3), Z = 4, R(1) = 0.046; (III): C(12)H(13)NO(5)S, monoclinic P2(1)/c, a = 5.5491(11) angstrom, b = 24.146(3) angstrom, c = 11.124(3) angstrom, beta = 114.590(10)degrees, V = 1355.3(5) angstrom(3), Z = 4, R(1) = 0.051.

Aplicação da teoria de dano na análise do comportamento viscoelástico de estruturas de concreto

A presente dissertação de mestrado tem por assunto a representação do comportamento mecânico do concreto sob cargas de curta e longa duração, incluindo efeitos não-lineares. Para tal fim trabalha-se com equações baseadas na teoria do dano contínuo. São propostas equações para o caso triaxial e, baseado nelas, é implementado um programa computacional. Com diversos exemplos verifica-se que: a) A solução numérica aproxima bem os resultados teóricos. b) O comportamento do modelo representa bem as características qualitativas do concreto. c) O modelo permite aproximar bem alguns resultados experimentais, mas ainda deve ser aperfeiçoado, particularmente no que refere-se à identificação de parâmetros.

Finding a maximum skewness portfolio - A general solution to three-moments portfolio choice

Considering the three first moments and allowing short sales, the efficient portfolios set for n risky assets and a riskless one is found, supposing that agents like odd moments and dislike even ones. Analytical formulas for the solution surface are obtained and important geometric properties provide insights on its shape in the three dimensional space defined by the moments. A special duality result is needed and proved. The methodology is general, comprising situations in which, for instance, the investor trades a negative skewness for a higher expected return. Computation of the optimum portfolio weights is feasible in most cases.

Acoplador e linha de lâmina unilateral e bilateral com substrato fotônico

The aim of this work is to characterize and use the characteristic parameters of the planar structures constructed with fin lines looking for their applications in devices, using PBG Photonic Band Gap photonic materials as substrate, operating in the millimeter and optic wave bands.The PBG theory will be applied for the relative permittivity attainment for the PBG photonic substrate s and p polarizations. The parameters considered in the structures characterization are the complex propagation constant and the characteristic impedance of unilateral and bilateral fin lines that were obtained by the use of the TTL Transverse Transmission Line Method, together with the Method of the Moments. The final part of this work comprises studies related to the behavior of the asymmetric unilateral fin line coupler with photonic substrate. This research opens perspectives for new works in this modern area. Numerical results are shown by means of bi-dimensional and three-dimensional graphics. Conclusions and suggestions for future works are also presented

An Anisotropic Model of Damage and Unilateral Effect for Brittle Materials

This work deals with the initial applications and formulation of an aniscitropic plastic-damage constitutive model proposed for non-linear analysis of reinforced concrete structures submitted to a loading with change of the sign. The original constitutive model is based on the fundamental hypothesis of energy equivalence between real and continuous medium following the concepts of the Continuum Damage Mechanics. The concrete is assumed as an initial elastic isotropic medium presenting anisotropy, permanent strains and bimodularity (distinct elastic responses whether traction or compression stress states prevail) induced by damage evolution. In order to take into account the bimodularity, two damage tensors governing the rigidity in tension or compression regimes are introduced. Then, some conditions are introduced in the original version of the model in order to simulate the damage unilateral effect. The three-dimensional version of the proposed model is analyzed in order to validate its formulation when compared to micromechanical theory. The one-dimensional version of the model is applied in the analyses of a reinforced concrete beam submitted to a loading with change of the sign. Despite the parametric identification problems, the initial applications show the good performance of the model.

Dirac-like monopoles in three dimensions and their possible influences on the dynamics of particles

Dirac-like monopoles are studied in three-dimensional Abelian Maxwell and Maxwell-Chern-Simons models. Their scalar nature is highlighted and discussed through a dimensional reduction of four-dimensional electrodynamics with electric and magnetic sources. Some general properties and similarities whether considered in Minkowski or Euclidean space are mentioned. However, by virtue of the structure of the space-time in which they are studied, a number of differences among them occur. Furthermore, we pay attention to some consequences of these objects when they act upon the usual particles. Among other subjects, special attention is given to the study of a Lorentz-violating nonminimal coupling between neutral fermions and the field generated by a monopole alone. In addition, an analogue of the Aharonov-Casher effect is discussed in this framework.

General structures of Hamiltonian hierarchies

Three dimensional exactly solvable quantum potentials for which an extra term of form 1/r(2) has been added are shown to maintain their functional form which allows the construction of the Hamiltonian hierarchy and the determination of the spectra of eigenvalues and eigenfunctions within the Supersymmetric Quantum Mechanics formalism. For the specific cases of the harmonic oscillator and the Coulomb potentials, known as pseudo-harmonic oscillator and pseudo-Coulomb potentials, it is shown here that the inclusion of the new term corresponds to rescaling the angular momentum and it is responsible for maintaining their exact solvability.

Quadratic gravity in (2+1)D with a topological Chern-Simons term

Three-dimensional quadratic gravity, unlike general relativity in (2+1)D, is dynamically nontrivial and has a well behaved nonrelativistic potential. Here we analyse the changes that occur when a topological Chem-Simons term is added to this theory. It is found that the harmless massive scalar mode of the latter gives rise to a troublesome massive spin-0 ghost, while the massive spin-2 ghost is replaced by two massive physical particles both of spin 2. We also found that light deflection does not have the 'wrong sign' such as in the framework of three-dimensional quadratic gravity.

Quadratic gravity theories in 2+1 dimensions and the topological Chern-Simons term

The addition of a topological Chern-Simons term to three-dimensional higher-derivative gravity is not a good therapy to cure the nonunitarity of the aforementioned theory. Moreover, R+R-2 gravity in (2+1)D, which is unitary at the tree level, becomes tree-level nonunitary when it is augmented by the abovementioned topological term. Therefore, unlike what is claimed in the literature, topological higher-derivative gravity in (2+1)D is not tree-level unitary and neither is topological three-dimensional R+R-2 gravity.

Bose-Einstein condensation dynamics in three dimensions by the pseudospectral and finite-difference methods

We suggest a pseudospectral method for solving the three-dimensional time-dependent Gross-Pitaevskii (GP) equation, and use it to study the resonance dynamics of a trapped Bose-Einstein condensate induced by a periodic variation in the atomic scattering length. When the frequency of oscillation of the scattering length is an even multiple of one of the trapping frequencies along the x, y or z direction, the corresponding size of the condensate executes resonant oscillation. Using the concept of the differentiation matrix, the partial-differential GP equation is reduced to a set of coupled ordinary differential equations, which is solved by a fourth-order adaptive step-size control Runge-Kutta method. The pseudospectral method is contrasted with the finite-difference method for the same problem, where the time evolution is performed by the Crank-Nicholson algorithm. The latter method is illustrated to be more suitable for a three-dimensional standing-wave optical-lattice trapping potential.

Positivity violation for the lattice Landau gluon propagator

We present explicit numerical evidence of reflection-positivity violation for the lattice Landau gluon propagator in three-dimensional pure SU(2) gauge theory. We use data obtained at very large lattice volumes (V = 80(3), 140(3)) and for three different lattice couplings in the scaling region (beta = 4.2, 5.0, 6.0). In particular, we observe a clear oscillatory pattern in the real-space propagator C(t). We also verify that the (real-space) data show good scaling in the range t is an element of[0, 3]fm and can be fitted using a Gribov-like form. The violation of positivity is in contradiction with a stable-particle interpretation of the associated field theory and may be viewed as a manifestation of confinement.

Formation of soliton trains in Bose-Einstein condensates as a nonlinear Fresnel diffraction of matter waves

The problem of generation of atomic soliton trains in elongated Bose-Einstein condensates is considered in framework of Whitham theory of modulations of nonlinear waves. Complete analytical solution is presented for the case when the initial density distribution has sharp enough boundaries. In this case the process of soliton train formation can be viewed as a nonlinear Fresnel diffraction of matter waves. Theoretical predictions are compared with results of numerical simulations of one- and three-dimensional Gross-Pitaevskii equation and with experimental data on formation of Bose-Einstein bright solitons in cigar-shaped traps. (C) 2003 Elsevier B.V. All rights reserved.

Temporal correlator in YM32 and reflection-positivity violation

We consider numerical data for the lattice Landau gluon propagator obtained at very large lattice volumes in three-dimensional pure SU(2) Yang-Mills gauge theory (YM32). We find that the temporal correlator C(t) shows an oscillatory pattern and is negative for several values of t. This is an explicit violation of reflection positivity and can be related to gluon confinement. We also obtain a good fit for this quantity in the whole time interval using a sum of Stingl-like propagators.