31 resultados para theoretical electrochemistry
em Universidad Politécnica de Madrid
Resumo:
Transitionprobabilities and oscillatorstrengths of 176 spectral lines with astrophysical interest arising from 5d10ns (n = 7,8), 5d10np (n = 6,7), 5d10nd (n = 6,7), 5d105f, 5d105g, 5d10nh (n = 6,7,8), 5d96s2, and 5d96s6p configurations, and radiativelifetimes for 43 levels of PbIV, have been calculated. These values were obtained in intermediate coupling (IC) and using relativistic Hartree–Fock calculations including core-polarization effects. For the IC calculations, we use the standard method of least-square fitting from experimental energy levels by means of the Cowan computer code. The inclusion in these calculations of the 5d107p and 5d105f configurations has facilitated a complete assignment of the energy levels in the PbIV. Transitionprobabilities, oscillatorstrengths, and radiativelifetimes obtained are generally in good agreement with the experimental data.
Resumo:
The aim of the present work is to provide an in-depth analysis of the most representative mirroring techniques used in SPH to enforce boundary conditions (BC) along solid profiles. We specifically refer to dummy particles, ghost particles, and Takeda et al. [Prog. Theor. Phys. 92 (1994), 939] boundary integrals. The analysis has been carried out by studying the convergence of the first- and second-order differential operators as the smoothing length (that is, the characteristic length on which relies the SPH interpolation) decreases. These differential operators are of fundamental importance for the computation of the viscous drag and the viscous/diffusive terms in the momentum and energy equations. It has been proved that close to the boundaries some of the mirroring techniques leads to intrinsic inaccuracies in the convergence of the differential operators. A consistent formulation has been derived starting from Takeda et al. boundary integrals (see the above reference). This original formulation allows implementing no-slip boundary conditions consistently in many practical applications as viscous flows and diffusion problems.
Resumo:
The theoretical formulation of the smoothed particle hydrodynamics (SPH) method deserves great care because of some inconsistencies occurring when considering free-surface inviscid flows. Actually, in SPH formulations one usually assumes that (i) surface integral terms on the boundary of the interpolation kernel support are neglected, (ii) free-surface conditions are implicitly verified. These assumptions are studied in detail in the present work for free-surface Newtonian viscous flow. The consistency of classical viscous weakly compressible SPH formulations is investigated. In particular, the principle of virtual work is used to study the verification of the free-surface boundary conditions in a weak sense. The latter can be related to the global energy dissipation induced by the viscous term formulations and their consistency. Numerical verification of this theoretical analysis is provided on three free-surface test cases including a standing wave, with the three viscous term formulations investigated.
Resumo:
We have recently demonstrated a biosensor based on a lattice of SU8 pillars on a 1 μm SiO2/Si wafer by measuring vertically reflectivity as a function of wavelength. The biodetection has been proven with the combination of Bovine Serum Albumin (BSA) protein and its antibody (antiBSA). A BSA layer is attached to the pillars; the biorecognition of antiBSA involves a shift in the reflectivity curve, related with the concentration of antiBSA. A detection limit in the order of 2 ng/ml is achieved for a rhombic lattice of pillars with a lattice parameter (a) of 800 nm, a height (h) of 420 nm and a diameter(d) of 200 nm. These results correlate with calculations using 3D-finite difference time domain method. A 2D simplified model is proposed, consisting of a multilayer model where the pillars are turned into a 420 nm layer with an effective refractive index obtained by using Beam Propagation Method (BPM) algorithm. Results provided by this model are in good correlation with experimental data, reaching a reduction in time from one day to 15 minutes, giving a fast but accurate tool to optimize the design and maximizing sensitivity, and allows analyzing the influence of different variables (diameter, height and lattice parameter). Sensitivity is obtained for a variety of configurations, reaching a limit of detection under 1 ng/ml. Optimum design is not only chosen because of its sensitivity but also its feasibility, both from fabrication (limited by aspect ratio and proximity of the pillars) and fluidic point of view. (© 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Resumo:
The aim of this work is the theoretical study of the band alignment between the two components of a hybrid organic-inorganic solar-cell. The working organic molecules are metal tetra-sulphonated phthalocyanines (M-Pc) and the inorganic material is nano-porous ZnO growth in the 001 direction. The theoretical calculations are being made using the density functional theory (DFT) using a GGA functional with the SIESTA code, which projects electron wave functions and density onto a real space grid and uses as basis set a linear combination of numerical, finite-range localized atomic orbitals. We also used the DFT+U method included in the code that allows a semi-empirical inclusion of electronic correlations in the description of electronic spectra for systems such as zinc oxide.
Resumo:
The aim of this contribution is to present a theoretical approach and two experimental campaigns (on wind tunnel and on the track) concerning the research work about the ballast train-induced-wind erosion (BTIWE) phenomenon. When a high speed train overpasses the critical speed, it produces a wind speed close to the track large enough to start the motion of the ballast elements, eventually leading to the rolling of the stones (Kwon and Park, 2006) and, if these stones get enough energy, they can jump and then initiate a saltation-like chain reaction, as found in the saltation processes of soil eolian erosion (Bagnold, 1941). The expelled stones can reach a height which is larger than the lowest parts of the train, striking them (and the track surroundings) producing considerable damage that should be avoided. There is not much published work about this phenomenon, in spite of the great interest that exists due to its relevant applications in increasing the maximum operative train speed. Particularly, the initiation of flight of ballast due to the pass of a high speed train has been studied by Kwon and Park (2006) by performing field and wind tunnel experiments.
Resumo:
We study the dynamic response of a wind turbine structure subjected to theoretical seismic motions, taking into account the rotational component of ground shaking. Models are generated for a shallow moderate crustal earthquake in the Madrid Region (Spain). Synthetic translational and rotational time histories are computed using the Discrete Wavenumber Method, assuming a point source and a horizontal layered earth structure. These are used to analyze the dynamic response of a wind turbine, represented by a simple finite element model. Von Mises stress values at different heights of the tower are used to study the dynamical structural response to a set of synthetic ground motion time histories
Resumo:
E.1027, Maison en bord de mer is a small villa in Roquebrune Cap-Martin, built by architects Eileen Gray and Jean Badovici between 1926 and 1929. It was hailed as a landmark of modern architecture, and then forgotten. Over the years many transformations have been carried out, and these changes have altered the spatial qualities of the original project. Time and neglect have taken their toll, and until 2008 the villa was abandoned, a shadow of its former self. In order to state an appropriate restoration, a description of the house and its historic evolution has been made, comparing plans of its different transformations. After compiling the most common pathologies and restoration procedures in buildings of the Modern Movement in general, the particular pathologies of E.1027 are presented, concluding with a restoration proposal for E.1027 that considers aesthetical as well as technical aspects. This study involves an attempt to establish guidelines for the theoretical and technical aspects for restoration of architecture of the Modern Movement, using the Maison en bord de mer as an example.
Resumo:
This article describes a first group of theoretical and experimental works undertaken at the Polytechnic University of Madrid. One major purpose is to obtain a structural model for the assessment of historical Latin-American vertically laminated planked timber arches built by the Spanish, mainly in the XVII and XVIII centuries. Many of those constructions still stand and represent a notable historical heritage. Pedro Hurtado recently presented his Ph. D. thesis on historical and construction topics. A structural study was then undertaken. This step of the structural research focussed on static analysis, most especially the deformation in the connection system. This article describes part of this first structural research. Even though it is still at a basic level, it shows reasonable agreement with the experimental results. Further static analytical models are been now developed and implemented. The next stage will address the dynamic problem, even though improvements will be made also in the constitutive equations.
Resumo:
In this paper, we report calculated values of the Stark widths and shifts for 72 spectral lines of Pb v. They were calculated using the Griem semi-empirical approach. A set of wavefunctions obtained from Hartree–Fock relativistic calculations including core polarization effects was used. Stark widths and shifts corresponding to lines arising from 5d9ns (n = 7, 8), 5d9 6p, 5d9 6d and 5d9 5f configurations of Pb v. Stark widths and shifts are presented for an electron density of 1017 cm−3 and temperatures T = 1.6–5.0 (104 K). The 2142.5, 2167.9 and 2278.6 Å lines of Pb v recently measured are included in our calculations. In this case, we have included for comparison calculations without core polarization effects. There is good agreement between our calculations and the above-cited experimental values.
Resumo:
A recent study by Pichugin et al. recall the Hemp’s solution for uniform load of 1974, showing that if allowable tensile and compressive stresses are unequal then the Hemp’s arch is optimal provided the ratio of stresses falls within a certain interval. This work is undoubtedly an important pass forward to find an optimal solution for the mathematical problem stated by Hemp. Furthermore, the Authors suggest that their optimal solutions are potentially reasonable from a practical perspective for materials with more allowable compressive stress than tensile one, as this kind of materials used to be not too much expensive. In this paper we profoundly analyse the solutions of the Authors from this practical perspective finding that the original Hemp’s solution —albeit sub-optimal for the mathematical problem— leads to real designs that are more efficient than the theoretic optimal solutions of the Authors.We show that the reasons for this shocking fact has to do with the class of problems considered by Hemp and the Authors.
Resumo:
This paper introduces a theoretical model for developing integrated degree programmes through e-learning systems as stipulated by a collaboration agreement signed by two universities. We have analysed several collaboration agreements between universities at the national, European, and transatlantic level as well as various e-learning frameworks. A conceptual model, a business model, and the architecture design are presented as part of the theoretical model. The paper presents a way of implementing e-learning systems as a tool to support inter-institutional degree collaborations, from the signing of the collaborative agreement to the implementation of the necessary services. In order to show how the theory can be tested one sample scenario is presented.
Resumo:
River restoration is becoming a priority in many countries because of increasing the awareness of environmental degradation. In Europe, the EU Water Framework Directive (WFD) has significantly reinforced river restoration, encouraging the improvement of ecological status for water bodies. To fulfill the WFD requirements, the Spanish Ministry of the Environment developed in 2006 a National Strategy for River Restoration whose design and implementation are described in this paper. At the same time many restoration projects have been conducted, and sixty of them have been evaluated in terms of stated objectives and pressures and implemented restoration measures. Riparian vegetation enhancement, weir removal and fish passes were the most frequently implemented restoration measures, although the greatest pressures came from hydrologic alteration caused by flow regulation for irrigation purposes. Water deficits in quantity and quality associated with uncontrolled water demands seriously affect Mediterranean rivers and represent the main constraint to achieving good ecological status of Spanish rivers, most of them intensively regulated. Proper environmental allocation of in-stream flows would need deep restrictions in agricultural water use which seem to be of very difficult social acceptance. This situation highlights the need to integrate land-use and rural development policies with water resources and river management, and identifies additional difficulties in achieving the WFD objectives and good ecological status of rivers in Mediterranean countries.
Resumo:
Laser Shock Processing is developing as a key technology for the improvement of surface mechanical and corrosion resistance properties of metals due to its ability to introduce intense compressive residual stresses fields into high elastic limit materials by means of an intense laser driven shock wave generated by laser with intensities exceeding the 109 W/cm2 threshold, pulse energies in the range of 1 Joule and interaction times in the range of several ns. However, because of the relatively difficult-to-describe physics of shock wave formation in plasma following laser-matter interaction in solid state, only limited knowledge is available in the way of full comprehension and predictive assessment of the characteristic physical processes and material transformations with a specific consideration of real material properties. In the present paper, an account of the physical issues dominating the development of LSP processes from a moderately high intensity laser-matter interaction point of view is presented along with the theoretical and computational methods developed by the authors for their predictive assessment and new experimental contrast results obtained at laboratory scale.
Resumo:
In the School of Mines of the Technical University of Madrid (UPM) the first course of different degrees has been implemented and adapted to the European Higher Educational Area (EHEA). In all of the degrees there is a first semester course which gathers all the contents of basic mechanics: from the first kinematics concepts to the rigid solid plane motion Before the Bologna process took place, the authors had established the final assessment of the theoretical contents through open questions of theoretical-practical character In the present work, the elaboration of a wide database containing theoretical-practical questions that students can access on line is presented. The questions are divided in thirteen different questionnaires composed of a number of questions randomly chosen from a certain group in the database. Each group corresponds to a certain learning objective that the student knows. After answering the questionnaire and checking the grade assigned according to the performance of the student, the pupils can see the correct response displayed on the screen and widely explained by the professors. This represents a 10% of the final grade. As the student can access the questionnaires as many times as they want, the main goal is the self-assessment of each learning objective and therefore, getting the students involved in their own learning process so they can decide how much time they need to acquire the required level.