969 resultados para Augmented-wave Method


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Cross sections for electron impact excitation of lithium from the ground state 1s(2)2s to the excited states 1s2s(2), 1s2p(2), 1s2snp (n = 2-5), 1s2sns (n = 3-5), 1s2pns (n = 3-5), and 1s2pnp (n = 3-5) are calculated by using a full relativistic distorted wave method. The latest experimental electron energy loss spectra for inner-shell electron excitations of lithium at a given incident electron energy of 2500 eV [Chin. Phys. Lett. 25 (2008) 3649] have been reproduced by the present theoretical investigation excellently. At the same time, the structures of electron energy loss spectra of lithium at low incident electron energy are also predicted theoretically, it is found that the electron energy loss spectra in the energy region of 55-57 eV show two-peak structures.

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The electron impact excitation cross sections from the lowest metastable state 5p(5)6sJ = 2 to the six lowest excited states of the 5p(5)6p configuration of xenon are calculated systematically by using the fully relativistic distorted wave method. In order to discuss the effects of target state descriptions on the electron impact excitation cross sections, two correlation models are used to describe the target states based on the multiconfiguration Dirac-Fock (MCDF) method. It is found that the correlation effects play a very important role in low energy impact. For high energy impact, however, the cross sections are not sensitive to the description of the target states, but many more partial waves must be included.

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The differential and integral cross sections for electron impact excitation of lithium from the ground state 1s(2)2s to excited states 1s(2)2p, 1s(2)3l (l = s,p,d) and 1s(2)4l (l = s,p,d,f) at incident energies ranging from 5 eV to 25 eV are calculated by using a full relativistic distorted wave method. The target state wavefunctions are calculated by using the Grasp92 code. The continuum orbitals are computed in the distorted-wave approximation, in which the direct and exchange potentials among all the electrons are included. A part of the cross sections are compared with the available experimental data and with the previous theoretical values. It is found that, for the integral cross sections, the present calculations are in good agreement with the time-independent distorted wave method calculation, for differential cross sections, our results agree with the experimental data very well.

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We propose the exploding-reflector method to simulate a monostatic survey with a single simulation. The exploding reflector, used in seismic modeling, is adapted for ground-penetrating radar (GPR) modeling by using the analogy between acoustic and electromagnetic waves. The method can be used with ray tracing to obtain the location of the interfaces and estimate the properties of the medium on the basis of the traveltimes and reflection amplitudes. In particular, these can provide a better estimation of the conductivity and geometrical details. The modeling methodology is complemented with the use of the plane-wave method. The technique is illustrated with GPR data from an excavated tomb of the nineteenth century.

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First-principles calculations using the APW+lo method, as implemented in the WIEN2K code, have been used to investigate the structural, electronic, and magnetic properties of the perovskite CaCu3Fe4O12, including the high-temperature Im-3 and low-temperature Pn-3 phase. The high-temperature phase presents a homogeneous valence and an orbital degenerate half-metallic behavior, which is consistent with the previous theoretical result. Instead orbital ordering, charge ordering, or disproportionation on Fe sites occur in the low-temperature phase, leading to the insulating character. More importantly, the charge disproportionation is of 2d(5)L -> d(5)L(2) + d(5) type (where L denotes an oxygen hole or a ligand hole), and the origin for the phenomenon is discussed in detail.

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The continent of eastern China, especially the North China Craton (NCC), has endured intensive tectonic renovation during Mesozoic and Cenozoic, with the presence of widespread magmatism, high heat flow and development of large sedimentary basins and mountain ranges. The cratonic lithosphere of the region has been destroyed remarkably, which is characterized by not only a significant reduction in thickness but also complex modifications in physical and chemical properties of the lithosphere. As for the tectonic regime controlling the evolution of the NCC, various models have been put forward, including the impingement of mantle plumes (“mushroom cloud” model), the collision of south China block and north China block, the subduction of the Pacific plate, etc. Lithosphere delamination and thermal erosion were proposed as the two end-member mechanisms of the lithospheric thinning. However, given the paucity of the data, deep structural evidence is currently still scarce for distinguishing and testifying these models. To better understand the deep structure of the NCC, from 2000 to the present, temporary seismic array observations have been conducted in the NCC by the Seismological Laboratory of the Institute of the Geology and Geophysics, Chinese Academy of Sciences under the North China Interior Structure Project (NCISP). Many arrays extend from the North China Craton and the off-craton regions, and traverse a lot of main tectonic boundaries. A total of more than 300 broadband seismic stations have been deployed along several profiles that traversed the major tectonic units within the craton’s interior, at the boundary areas and in the neighboring off-craton regions. These stations recorded abundant high-quality data, which provides an unprecedented opportunity for us to unravel the deep structural features of the NCC using seismological methods. Among all the seismological methods, the surface wave method appears to be an efficient and widely adopted technique in studying the crustal and upper mantle structures. In particular, it can provide the absolute values of S-wave velocity that are difficult to obtain with other methods. Benefiting from the deployment of dense seismic arrays, progresses have been made in improving the spatial resolution of surface wave imaging, which makes it possible to resolve the fine-scale velocity structures of the crust and upper mantle based on surface wave analysis. Meanwhile, the differences in the S-wave velocities derived from Rayleigh and Love wave data can provide information on the radial anisotropy beneath the seismic arrays. In this thesis, using the NCISP-III broadband data and based on phase velocity dispersion analysis and inversion of fundamental mode Rayleigh and Love waves, I investigated the lateral variations in the S-wave velocity structure of the crust and uppermost mantle beneath the Yanshan Belt and adjacent regions at the northeastern boundary of the NCC. Based on the constructed structural images, I discussed possible deep processes of the craton destruction in the study region.

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The following article appeared in Torres, V., Beruete, M., Del Villar, I., & Sánchez, P. (2016). Indium tin oxide refractometer in the visible and near infrared via lossy mode and surface plasmon resonances with Kretschmann configuration. Applied Physics Letters, 108(4), doi:10.1063/1.4941077, and may be found at http://dx.doi.org/10.1063/1.4941077.

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The artificial magnetic conductor (AMC) and electromagnetic band gap (EBG) characteristics of planar periodic metallic arrays printed on grounded dielectric substrate are investigated. The currents induced on the arrays are presented for the first time and their study reveals two distinct resonance phenomena associated with these surfaces. A new technique is presented to tailor the spectral position of the AMC operation and the EBG. Square patch arrays with fixed element size and variable periodicities are employed as working examples to demonstrate the dependence of the spectral AMC and EBG characteristics on array parameters. It is revealed that as the array periodicity is increased, the AMC frequency is increased, while the EBG frequency is reduced. This is shown to occur due to the different nature of the resonance phenomena and the associated underlying physical mechanisms that produce the two effects. The effect of substrate thickness is also investigated. Full wave method of moments (MoM) has been employed for the derivation of the reflection characteristics, the currents and the dispersion relations. A uniplanar array with simultaneous AMC and EBG operation is demonstrated theoretically and experimentally.

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Electron-impact ionization and recombination cross sections and rate coefficients are calculated for M-shell Ar atomic ions using a configuration-average distorted-wave method. The electron-impact ionization calcula- tions are for all atomic ions in the Ar isonuclear sequence. Ionization contributions include both direct ioniza- tion and excitation-autoionization processes. Good agreement is found between theory and experimental crossed-beam measurements for moderately charged ion stages. Comparisons are made with previous theoret- ical calculations where possible.We also generate rate coefficients for neutral argon ionization, based on recent R-matrix with pseudostates calculations. Electron-impact dielectronic recombination is calculated for all M-shell ions of argon. For Ar6+ and Ar7+ the current theoretical results agree well with previous level-resolved distorted-wave calculations. In order to compare with published ionization balance results our dielectronic recombination data are combined with literature values for the higher ion stages and with recent radiative recombination data for all the ion stages. We find significant differences in our equilibrium fractional abun- dances for the M-shell ions, compared with literature values. We relate these differences to the underlying atomic data.

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Grâce à son accessibilité, sa polyvalence et sa sécurité, l'échocardiographie est devenue la technique d'imagerie la plus utilisée pour évaluer la fonction cardiaque. Au vu du succès de l'échographie ultrarapide par ondes planes des techniques similaires pour augmenter la résolution temporelle en échocardiographie ont été mise en oeuvre. L’augmentation de la résolution temporelle de l’échographie cardiaque au-delà des valeurs actuellement atteignables (~ 60 à 80 images par secondes), pourrait être utilisé pour améliorer d’autres caractéristiques de l'échocardiographie, comme par exemple élargir la plage de vitesses détectables en imagerie Doppler couleur limitées par la valeur de Nyquist. Nous avons étudié l'échocardiographie ultrarapide en utilisant des fronts d’ondes ultrasonores divergentes. La résolution temporelle atteinte par la méthode d'ondes divergentes a permis d’améliorer les capacités des modes d’échocardiographie en mode B et en Doppler couleur. La résolution temporelle de la méthode mode B a été augmentée jusqu'à 633 images par secondes, tout en gardant une qualité d'image comparable à celle de la méthode d’échocardiographie conventionnelle. La vitesse de Nyquist de la méthode Doppler couleur a été multipliée jusqu'à 6 fois au delà de la limite conventionnelle en utilisant une technique inspirée de l’imagerie radar; l’implémentation de cette méthode n’aurait pas été possible sans l’utilisation de fronts d’ondes divergentes. Les performances avantageuses de la méthode d'échocardiographie ultrarapide sont supportées par plusieurs résultats in vitro et in vivo inclus dans ce manuscrit.

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The thermal transport properties, thermal diffusivity, thermal conductivity and specific heat capacity of Dicalcium Lead Propionate (DLP) crystal have been measured following a modified photopyroelectric thermal wave method. The measurements have been carried out with thermal waves propagating along the three principal symmetry directions, so as to bring out the anisotropy in these parameters. The variations of the above parameters through two prominent phase transition temperatures of this crystal have also been measured to understand the variation of these parameters as it undergoes ferroelectric phase transitions. In addition, complete thermal analysis and FTIR measurements have been done on the crystal to bring out the correlation of these results with the corresponding thermal transport properties. All these results are presented and discussed. The data presented in this paper form a comprehensive set of results on the thermal transport properties of this crystal.

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Studies on pulse propagation in single mode optical fibers have attracted interest from a wide area of science and technology as they have laid down the foundation for an in-depth understanding of the underlying physical principles, especially in the field of optical telecommunications. The foremost among them is discovery of the optical soliton which is considered to be one of the most significant events of the twentieth century owing to its fantastic ability to propagate undistorted over long distances and to remain unaflected after collision with each other. To exploit the important propertia of optical solitons, innovative mathematical models which take into account proper physical properties of the single mode optical fibers demand special attention. This thesis contains a theoretical analysis of the studies on soliton pulse propagation in single mode optical fibers.

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The main objective in this work is the analysis of resonance frequency microstrip structures with glass fiber and electromagnetic band gap (EBG/PBG) substrate and analysis of microstrip antennas with rectangular patch of superconductor of high critical temperature (HTS). In this work was used the superconductors YBCO (critical temperature of 90K), SnBaCaCuOy (critical temperature of 160K), and Sn5InCa2Ba4Cu10Oy (critical temperature of 212K) with results in Gigahertz and Terahertz. Was used microstrip antennas arrays planar and linear phase and linear phase planar with patch with superconductor. It presents a study of the major theories that explain superconductivity. In phase arrays were obtained the factors arrays for such configurations, and the criteria of phase and spacing between the elements compound in the array, which were examined in order to get a main lobe with high directivity and high gain. In the analysis we used the method of Transverse Transmission Line (TTL) used in domain of the Fourier Transform (FTD). The LTT is a full wave method, which obtains the electromagnetic field in terms of the components transverse of the structure. The addition of superconductive patch is made using the boundary condition resistive complex. Results are obtained resonance frequency as a function of the parameters of the antenna, radiation patterns of the E and H Planes, for the phase antenna arrays in linear and planar configurations, for different values of the phase and the spacing between elements

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This work has as main objective the study of arrays of microstrip antennas with superconductor rectangular patch. The phases and the radiation patterns are analyzed. A study of the main theories is presented that explain the microscopic and macroscopic phenomena of superconductivity. The BCS, London equations and the Two Fluid Model, are theories used in the applications of superconductors, at the microstrip antennas and antennas arrays. Phase Arrangements will be analyzed in linear and planar configurations. The arrangement factors of these configurations are obtained, and the phase criteria and the spacing between the elements, are examined in order to minimize losses in the superconductor, compared with normal conductors. The new rectangular patch antenna, consist of a superconducting material, with the critical temperature of 233 K, whose formula is Tl5Ba4Ca2Cu9Oy, is analyzed by the method of the Transverse nTransmission Line (TTL), developed by H. C. C. Fernandes, applied in the Fourier Transform Domain (FTD). The TTL is a full-wave method, which has committed to obtaining the electromagnetic fields in terms of the transverse components of the structure. The inclusion of superconducting patch is made using the complex resistive boundary condition, using the impedance of the superconductor in the Dyadic Green function, in the structure. Results are obtained from the resonance frequency depending on the parameters of the antenna using superconducting material, radiation patterns in E-Plane and H -Plane, the phased antennas array in linear and planar configurations, for different values of phase angles and different spacing between the elements

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This work has as main objective to study the application of microstrip antennas with patch and use of superconducting arrays of planar and linear phase. Was presented a study of the main theories that explain clearly the superconductivity. The BCS theory, Equations of London and the Two Fluid Model are theories that supported the implementation of the superconducting microstrip antennas. Arrangements phase was analyzed in linear and planar configuration of its antennas are reported factors such arrays to settings and criteria of phase and the spacing between the elements that make the arrayst was reviewed in order to minimize losses due to secondary lobes. The antenna used has a rectangular patch Sn5InCa2Ba4Cu10Oy the superconducting material was analyzed by the method of Transverse Transmission Line (TTL) applied in the field of Fourier transform (FTD). The TTL is a full-wave method, which has committed to obtaining the electromagnetic fields in terms of cross-cutting components of the structure. The inclusion of superconducting patch is made using the boundary condition, complex resistive. Are obtained when the resonant frequency depending on the parameters of the antenna, radiation pattern of E-Plan and H-Plan for the M-phase arrangements of antennas in the linear and planar configurations for different values of phase and spacing between the elements.