Optical properties of potassium niobate thin films prepared by the polymeric precursor method

Thin films of potassium niobate were deposited on MgO (100) substrates by the polymeric precursor method and annealing in static air at 600 degreesC for 20 h. The obtained films were characterized by X-ray diffraction, atomic force microscopy (AFM) and the prism coupling method. The phi-scan diffraction evidenced the growth of the films with fourfold symmetry. AFM study shows that the films are homogeneous, dense and present a smooth surface. The refractive index and optical losses were strongly influenced by the degree of crystallinity. (C) 2004 Elsevier B.V. All rights reserved.

Effect of preannealing on the morphology of LiTaO3 thin films prepared from the polymeric precursor method

Lithium tantalate (LiTaO3) thin films with 50:50 stoichiometry were deposited on silicon (100) substrates with two layers by the spin coating method using a polymeric organic solution. In order to study the influence of preannealing on the crystallinity, microstructure, grain size and roughness of the final film, two annealing procedures, slow preannealing and fast preannealing, were used. X-ray diffraction (XRD) results showed that LiTaO3 thin films are polycrystalline. It was observed by scanning electron microscopy (SEM) that the thin film, which had been thermally treated using slow preannealing, was characterized by a dense and homogeneous surface. The atomic force microscopy (AFM) studies showed that the roughness is strongly influenced by preannealing temperature. (C) 2003 Elsevier B.V. All rights reserved.

Determination of onboard coplanar orbital maneuvers with orbits determined using GPS

In the present paper a study is made in order to find an algorithm that can calculate coplanar orbital maneuvers for an artificial satellite. The idea is to find a method that is fast enough to be combined with onboard orbit determination using GPS data collected from a receiver that is located in the satellite. After a search in the literature, three algorithms are selected to be tested. Preliminary studies show that one of them (the so called Minimum Delta-V Lambert Problem) has several advantages over the two others, both in terms of accuracy and time required for processing. So, this algorithm is implemented and tested numerically combined with the orbit determination procedure. Some adjustments are performed in this algorithm in the present paper to allow its use in real-time onboard applications. Considering the whole maneuver, first of all a simplified and compact algorithm is used to estimate in real-time and onboard the artificial satellite orbit using the GPS measurements. By using the estimated orbit as the initial one and the information of the final desired orbit (from the specification of the mission) as the final one, a coplanar bi-impulsive maneuver is calculated. This maneuver searches for the minimum fuel consumption. Two kinds of maneuvers are performed, one varying only the semi major axis and the other varying the semi major axis and the eccentricity of the orbit, simultaneously. The possibilities of restrictions in the locations to apply the impulses are included, as well as the possibility to control the relation between the processing time and the solution accuracy. Those are the two main reasons to recommend this method for use in the proposed application.

Métodos periódicos aplicados à determinação e análise de propriedades eletrônicas e elásticas em peroviskitas do tipo BaZrO.3 e BaTiO.3

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Cálculos de estrutura eletrônica de materiais mediante combinação linear de orbitais atômicos

Pós-graduação em Ciência e Tecnologia de Materiais - FC

Influence of Mg on the structural and optical properties of LiNbO3 thin films grown by polymeric precursor method

A polymeric precursor solution was used to deposit pure and Mg doped LiNbO3 thin films on sapphire substrates by spin-coating. The effects of magnesium addition on crystallinity, morphology and optical properties of the annealed films were investigated. X-ray diffraction patterns indicate the oriented growth of the films. Phi-scan diffraction evidenced the epitaxial growth with two in-plane variants. AFM studies show that the films are very homogeneous, dense and present smooth surfaces. The refractive index and optical losses obtained by the prism coupling method were influenced by the magnesium addition.

Spin-strain coupling in a 3-D transition metal oxides

ab-initio Hartree Fock (HF), density functional theory (DFT) and hybrid potentials were employed to compute the optimized lattice parameters and elastic properties of perovskite 3-d transition metal oxides. The optimized lattice parameters and elastic properties are interdependent in these materials. An interaction is observed between the electronic charge, spin and lattice degrees of freedom in 3-d transition metal oxides. The coupling between the electronic charge, spin and lattice structures originates due to localization of d-atomic orbitals. The coupling between the electronic charge, spin and crystalline lattice also contributes in the ferroelectric and ferromagnetic properties in perovskites. The cubic and tetragonal crystalline structures of perovskite transition metal oxides of ABO3 are studied. The electronic structure and the physics of 3-d perovskite materials is complex and less well considered. Moreover, the novelty of the electronic structure and properties of these perovskites transition metal oxides exceeds the challenge offered by their complex crystalline structures. To achieve the objective of understanding the structure and property relationship of these materials the first-principle computational method is employed. CRYSTAL09 code is employed for computing crystalline structure, elastic, ferromagnetic and other electronic properties. Second-order elastic constants (SOEC) and bulk moduli (B) are computed in an automated process by employing ELASTCON (elastic constants) and EOS (equation of state) programs in CRYSTAL09 code. ELASTCON, EOS and other computational algorithms are utilized to determine the elastic properties of tetragonal BaTiO3, rutile TiO2, cubic and tetragonal BaFeO3 and the ferromagentic properties of 3-d transition metal oxides. Multiple methods are employed to crosscheck the consistency of our computational results. Computational results have motivated us to explore the ferromagnetic properties of 3-d transition metal oxides. Billyscript and CRYSTAL09 code are employed to compute the optimized geometry of the cubic and tetragonal crystalline structure of transition metal oxides of Sc to Cu. Cubic crystalline structure is initially chosen to determine the effect of lattice strains on ferromagnetism due to the spin angular momentum of an electron. The 3-d transition metals and their oxides are challenging as the basis functions and potentials are not fully developed to address the complex physics of the transition metals. Moreover, perovskite crystalline structures are extremely challenging with respect to the quality of computations as the latter requires the well established methods. Ferroelectric and ferromagnetic properties of bulk, surfaces and interfaces are explored by employing CRYSTAL09 code. In our computations done on cubic TMOs of Sc-Fe it is observed that there is a coupling between the crystalline structure and FM/AFM spin polarization. Strained crystalline structures of 3-d transition metal oxides are subjected to changes in the electromagnetic and electronic properties. The electronic structure and properties of bulk, composites, surfaces of 3-d transition metal oxides are computed successfully.

Wavelet-denoising of electroencephalogram and the absolute slope method: a new tool to improve electroencephalographic localization and lateralization

OBJECTIVE: In ictal scalp electroencephalogram (EEG) the presence of artefacts and the wide ranging patterns of discharges are hurdles to good diagnostic accuracy. Quantitative EEG aids the lateralization and/or localization process of epileptiform activity. METHODS: Twelve patients achieving Engel Class I/IIa outcome following temporal lobe surgery (1 year) were selected with approximately 1-3 ictal EEGs analyzed/patient. The EEG signals were denoised with discrete wavelet transform (DWT), followed by computing the normalized absolute slopes and spatial interpolation of scalp topography associated to detection of local maxima. For localization, the region with the highest normalized absolute slopes at the time when epileptiform activities were registered (>2.5 times standard deviation) was designated as the region of onset. For lateralization, the cerebral hemisphere registering the first appearance of normalized absolute slopes >2.5 times the standard deviation was designated as the side of onset. As comparison, all the EEG episodes were reviewed by two neurologists blinded to clinical information to determine the localization and lateralization of seizure onset by visual analysis. RESULTS: 16/25 seizures (64%) were correctly localized by the visual method and 21/25 seizures (84%) by the quantitative EEG method. 12/25 seizures (48%) were correctly lateralized by the visual method and 23/25 seizures (92%) by the quantitative EEG method. The McNemar test showed p=0.15 for localization and p=0.0026 for lateralization when comparing the two methods. CONCLUSIONS: The quantitative EEG method yielded significantly more seizure episodes that were correctly lateralized and there was a trend towards more correctly localized seizures. SIGNIFICANCE: Coupling DWT with the absolute slope method helps clinicians achieve a better EEG diagnostic accuracy.

Benthic respiration and physical oceanography on two contrasting continental margins in the western Indian Ocean: the Yemen-Somali upwelling region and the margin off Kenya

During the Netherlands Indian Ocean Project (NIOP, 1992-1993) sediment community oxygen consumption (SCOC) was measured on two continental margins in the Indian Ocean with different productivity: the productive upwelling region off Yemen-Somalia and the supposedly less productive Kenyan margin, which lacks upwelling. The two margins also differ in terms of river input (Kenya) and the more severe oxygen minimum in the Arabian Sea. Simultaneously with SCOC, distributions of benthic biomass and phytodetritus were studied. Our expectation was that benthic processes in the upwelling margin of the Arabian Sea would be relatively enhanced as a result of the higher productivity. On the Kenyan margin, SCOC (range 1-36 mmol/m**2/d) showed a clear decrease with increasing water depth, and little temporal variation was detected between June and December. Highest SCOC values of this study were recorded at 50 m depth off Kenya, with a maximum of 36 mmol/m**2/d in the northernmost part. On the margin off Yemen-Somalia, SCOC was on average lower and showed little downslope variation, 1.8-5.7 mmol/m**2/d, notably during upwelling, when the zone between 70 and 1700 m was covered with low O2 water (10-50 µM). After cessation of upwelling, SCOC at 60 m depth off Yemen increased from 5.7 to 17.6 mmol/m**2/d concurrently with an increase of the near-bottom O2 concentration (from 11 to 153 µM), suggesting a close coupling between SCOC and O2 concentration. This was demonstrated in shipboard cores in which the O2 concentration in the overlying water was raised after the cores were first incubated under in situ conditions (17 µM O2). This induced an immediate and pronounced increase of SCOC. Conversely, at deeper stations permanently within the oxygen minimum zone (OMZ), SCOC showed little variation between monsoon periods. Hence, organic carbon degradation in sediments on a large part of the Yemen slope appears hampered by the oxygen deficiency of the overlying water. Macrofauna biomass and the pooled biomass of smaller organisms, estimated by the nucleic acid content of the sediment, had comparable ranges in the two areas in spite of more severe suboxic conditions in the Arabian Sea. At the Kenyan shelf, benthic fauna (macro- and meiofauna) largely followed the spatial pattern of SCOC, i.e. high values on the northern shelf-upper slope and a downslope decrease. On the Yemen-Somali margin the macrofauna distribution was more erratic. Nucleic acids displayed no clear downslope trend on either margin owing to depressed values in the OMZ, perhaps because of adverse effects of low O2 on small organisms (meiofauna and microbes). Phytodetritus distributions were different on the two margins. Whereas pigment levels decreased downslope along the Kenya margin, the upper slope off Yemen (800 m) had a distinct accumulation of mainly refractory carotenoid pigments, suggesting preservation under low 02. Because the accumulations of Corg and pigments on the Yemen slope overlap only partly, we infer a selective deposition and preservation of labile particles on the upper slope, whereas refractory material undergoes further transport downslope.

Comparison of implicit and explicit FSI coupling strategies in cardiovascular system = Comparación de las estrategias implícitas y explícitas de acoplamiento FSI en el sistema cardiovascular

Comparación de los esquemas de integración temporal explícito e implícito, en la simulación del flujo sanguíneo y su interacción con la pared arterial. There are two major strategies in FSI coupling techniques: implicit and explicit. The general difference between these methodologies is how many times the data is exchanged between the fluid and solid domains at each FSI time-step. In both coupling strategies, the pressure values coming from fluid domain calculations at each time-step are exported to the solid domain, and consequently, the solid domain is analyzed with these imported forces. In contrast to the explicit coupling, in the implicit approach the fluid and solid domain’s data is exchanged several times until the convergence is achieved. Although this method may boost the numerical stabilization, it increases the computational cost due to the extra data exchanges. In cardiovascular simulations, depending on the analysis objectives, one may choose an explicit or implicit approach. In the current work, the advantage of an explicit coupling strategy is highlighted when simulation of pulsatile blood flow in elastic arteries is desired.

Peptide synthesis using unprotected peptides through orthogonal coupling methods.

We describe an approach to the synthesis of peptides from segments bearing no protecting groups through an orthogonal coupling method to capture the acyl segment as a thioester that then undergoes an intramolecular acyl transfer to the amine component with formation of a peptide bond. Two orthogonal coupling methods to give the covalent ester intermediate were achieved by either a thiol-thioester exchange mediated by a trialkylphosphine and an alkylthiol or a thioesterification by C alpha-thiocarboxylic acid reacting with a beta-bromo amino acid. With this approach, unprotected segments ranging from 4 to 37 residues were coupled to aqueous solution to give free peptides up to 54 residues long with high efficiency.

Quantum spin Hall phase in multilayer graphene

The so-called quantum spin Hall phase is a topologically nontrivial insulating phase that is predicted to appear in graphene and graphenelike systems. In this paper we address the question of whether this topological property persists in multilayered systems. We consider two situations: purely multilayer graphene and heterostructures where graphene is encapsulated by trivial insulators with a strong spin-orbit coupling. We use a four-orbital tight-binding model that includes full atomic spin-orbit coupling and we calculate the Z2 topological invariant of the bulk states as well as the edge states of semi-infinite crystals with armchair termination. For homogeneous multilayers we find that even when the spin-orbit interaction opens a gap for all possible stackings, only those with an odd number of layers host gapless edge states while those with an even number of layers are trivial insulators. For heterostructures where graphene is encapsulated by trivial insulators, it turns out that interlayer coupling is able to induce a topological gap whose size is controlled by the spin-orbit coupling of the encapsulating materials, indicating that the quantum spin Hall phase can be induced by proximity to trivial insulators.

Towards Accurate and Efficient Description of Excited States

Thesis (Ph.D.)--University of Washington, 2016-06

Classical and quantum dynamics of a model for atomic-molecular Bose-Einstein condensates

We study a model for a two-mode atomic-molecular Bose-Einstein condensate. Starting with a classical analysis we determine the phase space fixed points of the system. It is found that bifurcations of the fixed points naturally separate the coupling parameter space into four regions. The different regions give rise to qualitatively different dynamics. We then show that this classification holds true for the quantum dynamics.

Numerical Solution of Fractional Diffusion-Wave Equation with two Space Variables by Matrix Method

Mathematics Subject Classi¯cation 2010: 26A33, 65D25, 65M06, 65Z05.