Diverse solid-state and solution structures within a series of hexaamine dicopper(II) complexes

Mono- and dicopper(II) complexes of a series of potentially bridging hexaamine ligands have been prepared and characterized in the solid state by X-ray crystallography. The crystal structures of the following Cu-II complexes are reported: [Cu(HL3)](ClO4)(3), C11H31Cl3CuN6O12, monoclinic, P2(1)/n, a = 8.294(2) Angstrom, b = 18.364(3) Angstrom, c = 15.674(3) Angstrom, beta = 94.73(2)degrees, Z = 4; {[Cu-2(L-4)(CO3)](2)}(ClO4)(4). 4H(2)O, C40H100Cl4Cu4N12O26, triclinic, P (1) over bar, a = 9.4888(8) Angstrom, b=13.353(1) Angstrom,. c = 15.329(1) Angstrom, alpha = 111.250(7)degrees, beta = 90.068(8)degrees, gamma = 105.081(8)degrees, Z=1; [Cu-2(L-5)(OH2)(2)](ClO4)(4), C(13)H(36)Cl(4)Cu(2)Z(6)O(18), monoclinic, P2(1)/c, a = 7.225(2) Angstrom. b = 8.5555(5) Angstrom, c = 23.134(8) Angstrom, beta = 92.37(1)degrees, Z = 2; [Cu-2(L-6)(OH2)(2)](ClO4)(4). 3H(2)O, C14H44Cl4Cu2N6O21, monoclinic, P2(1)/a, a = 15.204(5) Angstrom, b = 7.6810(7) Angstrom, c = 29.370(1) Angstrom, beta = 100.42(2)degrees, Z = 4. Solution spectroscopic properties of the bimetallic complexes indicate that significant conformational changes occur upon dissolution, and this has been probed with EPR spectroscopy and molecular mechanics calculations.

In situ measured cross section geometry of old timber structures and its influence on structural safety

Old timber structures may show significant variation in the cross section geometry along the same element, as a result of both construction methods and deterioration. As consequence, the definition of the geometric parameters in situ may be both time consuming and costly. This work presents the results of inspections carried out in different timber structures. Based on the obtained results, different simplified geometric models are proposed in order to efficiently model the geometry variations found. Probabilistic modelling techniques are also used to define safety parameters of existing timber structures, when subjected to dead and live loads, namely self-weight and wind actions. The parameters of the models have been defined as probabilistic variables, and safety of a selected case study was assessed using the Monte Carlo simulation technique. Assuming a target reliability index, a model was defined for both the residual cross section and the time dependent deterioration evolution. As a consequence, it was possible to compute probabilities of failure and reliability indices, as well as, time evolution deterioration curves for this structure. The results obtained provide a proposal for definition of the cross section geometric parameters of existing timber structures with different levels of decay, using a simplified probabilistic geometry model and considering a remaining capacity factor for the decayed areas. This model can be used for assessing the safety of the structure at present and for predicting future performance.

SLAM using an Imaging Sonar for Partially Structured Underwater Environments

In this paper we describe a system for underwater navigation with AUVs in partially structured environments, such as dams, ports or marine platforms. An imaging sonar is used to obtain information about the location of planar structures present in such environments. This information is incorporated into a feature-based SLAM algorithm in a two step process: (I) the full 360deg sonar scan is undistorted (to compensate for vehicle motion), thresholded and segmented to determine which measurements correspond to planar environment features and which should be ignored; and (2) SLAM proceeds once the data association is obtained: both the vehicle motion and the measurements whose correct association has been previously determined are incorporated in the SLAM algorithm. This two step delayed SLAM process allows to robustly determine the feature and vehicle locations in the presence of large amounts of spurious or unrelated measurements that might correspond to boats, rocks, etc. Preliminary experiments show the viability of the proposed approach

Underwater SLAM in a marina environment

This paper describes a navigation system for autonomous underwater vehicles (AUVs) in partially structured environments, such as dams, harbors, marinas or marine platforms. A mechanical scanning imaging sonar is used to obtain information about the location of planar structures present in such environments. A modified version of the Hough transform has been developed to extract line features, together with their uncertainty, from the continuous sonar dataflow. The information obtained is incorporated into a feature-based SLAM algorithm running an Extended Kalman Filter (EKF). Simultaneously, the AUV's position estimate is provided to the feature extraction algorithm to correct the distortions that the vehicle motion produces in the acoustic images. Experiments carried out in a marina located in the Costa Brava (Spain) with the Ictineu AUV show the viability of the proposed approach

The Hercynian structure of the Catalonian Coastal Ranges (NE Spain)

In the Catalonian Coastal Ranges, Paleozoic sedimentary and meta-sedimentary rocks crop out in severa1 areas, intruded by late tectonic Hercynian granitoids and separated by Mesozoic and Tertiary cover sediments. Large structures are often difficult to recognize, although a general east-west trend can be observed on the geological map. Deformation was accompanied by the development of cleavages and regional metamorphism. Green-schist facies rocks are prominent throughout the Ranges, while amphibolite facies are restricted to small areas. In low-grade areas, the main deformation phase generated south-facing folds with an axial plane cleavage (slaty cleavage in metapelitic rocks). The intersection lineation (Ss/Sl) and the axes of minor folds trend cast-west, as do all mapable structures. Late deformations generated coarse crenulations, small chevrons and kink-bands, all intersecting the slaty cleavage at high angles. In medium- to high-grade areas no major folds have been observed. In these areas, the main foliation is a schistosity and is often folded, giving centimetric to decimetric, nearly isoclinal intrafolial folds. In schists, these folds aremuchmore common than inother lithologies, and can be associated with a crenulation cleavage. All these planar structures in high-grade rocks are roughly parallel. The late Hercynian deformational events, which gave rise to the crenulations and small chevrons, also produced large (often kilometric) open folds which fold the slaty cleavage and schistosity. As aconsequence, alternating belts with opposite dip (north and south) of the main foliation were formed. With respect to the Hercynian orogenic belt, the Paleozoic outcrops of the Catalonian Coastal Ranges are located within the northern branch of the Ibero-Armorican arc, and have a relatively frontal position within the belt. The Carboniferous of the Priorat-Prades area, together with other outcrops in the Castellón Province, the Montalbán massif (Iberian Chain) and the Cantabrian zone (specially the Pisuerga-Carrión Province) probably form part of a wide area of foreland Carboniferous deposition placed at the core of the arc.

Étude de l’association supramoléculaire bi- et tridimensionnelle d’oximes et d’hydrazones trigonales

Les concepts de la chimie supramoléculaire peuvent être exploités avantageusement pour contrôler la structure et les propriétés des matériaux moléculaires. Dans une approche productive, les composantes moléculaires du matériau peuvent être choisies pour pouvoir s'engager dans des interactions fortes et prévisibles avec leurs voisins. Cette stratégie, appelée la tectonique moléculaire, est caractérisée par la préparation de molécules particulières appelées tectons (du grec tectos, qui signifie constructeur) qui, par design rationnel, s’associent de manière prévisible via de multiples interactions non-covalentes afin de générer l’architecture désirée. Ce processus est réversible et guidé par la présence de fonctions chimiques complémentaires, appelées groupements de reconnaissance, qui sont orientées de manière à conférer un aspect directionnel aux interactions intermoléculaires. Ceci permet de positionner les molécules voisines de façon prédéterminée. Les contraintes imposées par les interactions s’opposent souvent à la tendance naturelle des molécules à former une structure compacte et permettent donc à d'autres molécules invitées d’occuper un volume appréciable dans le matériau, sans toutefois contribuer directement à l'architecture principale. Appliquée à la cristallisation, cette approche peut générer des cristaux poreux, analogues aux zéolites. Les ponts hydrogène offrent une interaction non-covalente de choix dans cette stratégie car ils sont forts et directionnels. L’exploration d’une multitude de fonctions chimiques connues pour pouvoir participer à la formation de ponts hydrogène a permis de créer une grande diversité de nouveaux matériaux lors de l’évolution du domaine du génie cristallin. Une molécule classique, qui illustre bien la stratégie tectonique et qui a eu un fort impact dans le domaine de la chimie supramoléculaire, est l’acide 1,3,5-benzènetricarboxylique, communément appelé acide trimésique. L’acide trimésique donne une orientation trigonale à trois groupements carboxyles, favorisant ainsi la formation d'un réseau hexagonal retenu par ponts hydrogène. Nous avons visé une modification dans laquelle les groupements -COOH de l'acide trimésique sont remplacés par deux autres groupements de reconnaissance, jusqu’ici peu exploités en chimie supramoléculaire, l’oxime et l’hydrazone. Nous rapportons la synthèse et la cristallisation de différentes trioximes et trihydrazones analogues à l'acide trimésique. Les cristaux obtenus ont été analysés par diffraction des rayons-X et leurs structures ont été déterminées. L’auto-assemblage de différentes trioximes et trihydrazones en 2D par adsorption sur graphite a également été étudié en utilisant la microscopie à balayage à effet tunnel. Nos résultats nous permettent de comparer l'organisation en 2D et en 3D de différents analogues de l'acide trimésique.

SLAM using an Imaging Sonar for Partially Structured Underwater Environments

In this paper we describe a system for underwater navigation with AUVs in partially structured environments, such as dams, ports or marine platforms. An imaging sonar is used to obtain information about the location of planar structures present in such environments. This information is incorporated into a feature-based SLAM algorithm in a two step process: (I) the full 360deg sonar scan is undistorted (to compensate for vehicle motion), thresholded and segmented to determine which measurements correspond to planar environment features and which should be ignored; and (2) SLAM proceeds once the data association is obtained: both the vehicle motion and the measurements whose correct association has been previously determined are incorporated in the SLAM algorithm. This two step delayed SLAM process allows to robustly determine the feature and vehicle locations in the presence of large amounts of spurious or unrelated measurements that might correspond to boats, rocks, etc. Preliminary experiments show the viability of the proposed approach

Underwater SLAM in a marina environment

This paper describes a navigation system for autonomous underwater vehicles (AUVs) in partially structured environments, such as dams, harbors, marinas or marine platforms. A mechanical scanning imaging sonar is used to obtain information about the location of planar structures present in such environments. A modified version of the Hough transform has been developed to extract line features, together with their uncertainty, from the continuous sonar dataflow. The information obtained is incorporated into a feature-based SLAM algorithm running an Extended Kalman Filter (EKF). Simultaneously, the AUV's position estimate is provided to the feature extraction algorithm to correct the distortions that the vehicle motion produces in the acoustic images. Experiments carried out in a marina located in the Costa Brava (Spain) with the Ictineu AUV show the viability of the proposed approach

Experimental structure determination of the chemisorbed overlayers of chlorine and iodine on Au{111}

We have performed an experimental structure determination of the ordered p(sqrt[3] x sqrt[3])R30 degrees structures of chlorine and iodine on Au{111} using low-energy electron diffraction (LEED). Despite great similarities in the structure of the underlying substrate, which shows only minor deviations from the bulk positions in both cases, chlorine and iodine are found to adsorb in different adsorption sites, fcc and hcp hollow sites, respectively. The experimental Au-Cl and Au-I bond lengths of 2.56 and 2.84 A are close to the sums of the covalent radii, supporting the view that the bond is essentially covalent in nature; however, they are significantly shorter than predicted theoretically.

Synthesis and characterization of nickel(II) and copper(II) complexes with tetradentate Schiff base ligands

The 1:1 condensation of 1,2-diaminopropane and 1-phenylbutane-1,3-dione at high dilution gives a mixture of two positional isomers of terdentate mono-condensed Schiff bases 6-amino-3-methyl-1-phenyl-4-aza-2-hepten-1-one (HAMPAH) and 6-amino-3,5-dimethyl-1-phenyl-4-aza-2-hexen-1-one (HADPAH). The mixture of the terdentate ligands has been used for further condensation with pyridine-2-carboxaldehyde or 2-acetylpyridine to obtain the unsymmetrical tetradentate Schiff base ligands. The tetradentate Schiff bases are then allowed to react with the methanol solution of copper(II) and nickel(II) perchlorate separately. The X-ray diffraction confirms the structures of two of the complexes and shows that the condensation site of the diamine with 1-phenylbutane-1,3-dione is the same.

Structural characterization of supported nanocrystalline ZnO thin films prepared by dip-coating

Nanocrystalline ZnO thin films prepared by the sol-gel dip-coating technique were characterized by grazing incidence X-ray diffraction (GIXD), atomic force microscopy (AFM), X-ray reflectivity (XR) and grazing incidence small-angle X-ray scattering (GISAXS). The structures of several thin films subjected to (i) isochronous annealing at 350, 450 and 550 degrees C, and (ii) isothermal annealing at 450 degrees C during different time periods, were characterized. The studied thin films are composed of ZnO nanocrystals as revealed by analysing several GIXD patterns, from which their average sizes were determined. Thin film thickness and roughness were determined from quantitative analyses of AFM images and XR patterns. The analysis of XR patterns also yielded the average density of the studied films. Our GISAXS study indicates that the studied ZnO thin films contain nanopores with an ellipsoidal shape, and flattened along the direction normal to the substrate surface. The thin film annealed at the highest temperature, T = 550 degrees C, exhibits higher density and lower thickness and nanoporosity volume fraction, than those annealed at 350 and 450 degrees C. These results indicate that thermal annealing at the highest temperature (550 degrees C) induces a noticeable compaction effect on the structure of the studied thin films. (C) 2011 Elsevier B.V. All rights reserved.

Dispositivos planares integrados utilizando método dinâmico com metamateriais e PBG

This work presents a theoretical, numerical and computation analysis of parameters of a rectangular microstrip antenna with metamaterial substrate, fin line as a coupler and also integrated devices like integrated filter antenna. It is applied theory to full-wave of Transverse Transmission Line - TTL method, to characterize the magnitude of the substrate and obtain the general equations of the electromagnetic fields. About the metamaterial, they are characterized by permittivity and permeability tensor, reaching to the general equations for the electromagnetic fields of the antenna. It is presented a study about main representation of PBG(Photonic Band Gap) material and its applied for a specific configuration. A few parameters are simulated some structures in order to reduce the physical dimensions and increase the bandwidth. The results are presented through graphs. The theoretical and computational analysis of this work have shown accurate and relatively concise. Conclusions are drawn and suggestions for future work

Análise e síntese de antenas e superfícies seletivas de frequência utilizando computação evolucionária e inteligência de enxames

The frequency selective surfaces, or FSS (Frequency Selective Surfaces), are structures consisting of periodic arrays of conductive elements, called patches, which are usually very thin and they are printed on dielectric layers, or by openings perforated on very thin metallic surfaces, for applications in bands of microwave and millimeter waves. These structures are often used in aircraft, missiles, satellites, radomes, antennae reflector, high gain antennas and microwave ovens, for example. The use of these structures has as main objective filter frequency bands that can be broadcast or rejection, depending on the specificity of the required application. In turn, the modern communication systems such as GSM (Global System for Mobile Communications), RFID (Radio Frequency Identification), Bluetooth, Wi-Fi and WiMAX, whose services are highly demanded by society, have required the development of antennas having, as its main features, and low cost profile, and reduced dimensions and weight. In this context, the microstrip antenna is presented as an excellent choice for communications systems today, because (in addition to meeting the requirements mentioned intrinsically) planar structures are easy to manufacture and integration with other components in microwave circuits. Consequently, the analysis and synthesis of these devices mainly, due to the high possibility of shapes, size and frequency of its elements has been carried out by full-wave models, such as the finite element method, the method of moments and finite difference time domain. However, these methods require an accurate despite great computational effort. In this context, computational intelligence (CI) has been used successfully in the design and optimization of microwave planar structures, as an auxiliary tool and very appropriate, given the complexity of the geometry of the antennas and the FSS considered. The computational intelligence is inspired by natural phenomena such as learning, perception and decision, using techniques such as artificial neural networks, fuzzy logic, fractal geometry and evolutionary computation. This work makes a study of application of computational intelligence using meta-heuristics such as genetic algorithms and swarm intelligence optimization of antennas and frequency selective surfaces. Genetic algorithms are computational search methods based on the theory of natural selection proposed by Darwin and genetics used to solve complex problems, eg, problems where the search space grows with the size of the problem. The particle swarm optimization characteristics including the use of intelligence collectively being applied to optimization problems in many areas of research. The main objective of this work is the use of computational intelligence, the analysis and synthesis of antennas and FSS. We considered the structures of a microstrip planar monopole, ring type, and a cross-dipole FSS. We developed algorithms and optimization results obtained for optimized geometries of antennas and FSS considered. To validate results were designed, constructed and measured several prototypes. The measured results showed excellent agreement with the simulated. Moreover, the results obtained in this study were compared to those simulated using a commercial software has been also observed an excellent agreement. Specifically, the efficiency of techniques used were CI evidenced by simulated and measured, aiming at optimizing the bandwidth of an antenna for wideband operation or UWB (Ultra Wideband), using a genetic algorithm and optimizing the bandwidth, by specifying the length of the air gap between two frequency selective surfaces, using an optimization algorithm particle swarm

Aplicações de Dispositivos de Microondas utilizando Substrato EBG/PBG para Comunicações Móveis

The modern society depends on an efficient communications system able to of transmitting and receiving information with a higher speed and reliability every time. The need for ever more efficient devices raises optimization techniques of microstrip devices, such as techniques to increase bandwidth: thicker substrates and substrate structures with EBG (Electromagnetic Band Gap) and PBG (Photonic Band Gap). This work has how aims the study of the application of PBG materials on substrates of planar structures in microstrip, more precisely in directional quadrature couplers and in rat-race and impedance of transformers. A study of the planar structures in microstrip and substrates EBG is presented. The PBG substrates can be used to optimize the radiation through the air, thus reducing the occurrence of surface waves and the resulting diffraction edge responsible for degradation of radiation pattern. Through specific programs in FORTRAN Power Station obtained the frequencies and couplings for each structure. Are used the program PACMO - Computer Aided Design in Microwave. Results are obtained of the frequency and coupling devices, ranging the frequency band used (cellular communication and Wimax systems) and the permittivity of the substrate, comparing the results of conventional material and PBG materials in the s and p polarizations.

Estudo do efeito de substratos metamateriais em parâmetros de antenas de microfita

Microstrip antennas are subject matter in several research fields due to its numerous advantages. The discovery, at 1999, of a new class of materials called metamaterials - usually composed of metallic elements immersed in a dielectric medium, have attracted the attention of the scientific community, due to its electromagnetic properties, especially the ability to use in planar structures, such as microstrip, without interfering with their traditional geometry. The aim of this paper is to analyze the effects of one and bidimensional metamaterial substrates in microstrip antennas, with different configurations of resonance rings, SRR, in the dielectric layer. Fractal geometry is applied to these rings, in seeking to verify a multiband behavior and to reduce the resonance frequency of the antennas. The results are then given by commercial software Ansoft HFSS, used for precise analysis of the electromagnetic behavior of antennas by Finite Element Method (FEM). To reach it, this essay will first perform a literature study on fractal geometry and its generative process. This paper also presents an analysis of microstrip antennas, with emphasis on addressing different types of substrates as part of its electric and magnetic anisotropic behavior. It s performed too an approach on metamaterials and their unique properties