28 resultados para Birge Sponer vibrational energy levels extrapolation


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An existing hybrid finite element (FE)/statistical energy analysis (SEA) approach to the analysis of the mid- and high frequency vibrations of a complex built-up system is extended here to a wider class of uncertainty modeling. In the original approach, the constituent parts of the system are considered to be either deterministic, and modeled using FE, or highly random, and modeled using SEA. A non-parametric model of randomness is employed in the SEA components, based on diffuse wave theory and the Gaussian Orthogonal Ensemble (GOE), and this enables the mean and variance of second order quantities such as vibrational energy and response cross-spectra to be predicted. In the present work the assumption that the FE components are deterministic is relaxed by the introduction of a parametric model of uncertainty in these components. The parametric uncertainty may be modeled either probabilistically, or by using a non-probabilistic approach such as interval analysis, and it is shown how these descriptions can be combined with the non-parametric uncertainty in the SEA subsystems to yield an overall assessment of the performance of the system. The method is illustrated by application to an example built-up plate system which has random properties, and benchmark comparisons are made with full Monte Carlo simulations. © 2012 Elsevier Ltd. All rights reserved.

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We investigated the transition energy levels of the vacancy defects in gallium nitride by means of a hybrid density functional theory approach (DFT). We show that, in contrast to predictions from a recent study on the level of purely local DFT, the inclusion of screened exchange stabilizes the triply positive charge state of the nitrogen vacancy for Fermi energies close to the valence band. On the other hand, the defect levels associated with the negative charge states of the nitrogen vacancy hybridize with the conduction band and turn out to be energetically unfavorable, except for high n-doping. For the gallium vacancy, the increased magnetic splitting between up-spin and down-spin bands due to stronger exchange interactions in sX-LDA pushes the defect levels deeper into the band gap and significantly increases the associated charge transition levels. Based on these results, we propose the ϵ(0| - 1) transition level as an alternative candidate for the yellow luminescence in GaN.

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We describe studies of new nanostructured materials consisting of carbon nanotubes wrapped in sequential coatings of two different semiconducting polymers, namely, poly(3-hexylthiophene) (P3HT) and poly(9,9'-dioctylfluorene-co-benzothiadiazole) (F8BT). Using absorption spectroscopy and steady-state and ultrafast photoluminescence measurements, we demonstrate the role of the different layer structures in controlling energy levels and charge transfer in both solution and film samples. By varying the simple solution processing steps, we can control the ordering and proportions of the wrapping polymers in the solid state. The resulting novel coaxial structures open up a variety of new applications for nanotube blends and are particularly promising for implementation into organic photovoltaic devices. The carbon nanotube template can also be used to optimize both the electronic properties and morphology of polymer composites in a much more controlled fashion than achieved previously, offering a route to producing a new generation of polymer nanostructures.

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The structure, formation energy, and energy levels of the various oxygen vacancies in Ta2O5 have been calculated using the λ phase model. The intra-layer vacancies give rise to unusual, long-range bonding rearrangements, which are different for each defect charge state. The 2-fold coordinated intra-layer vacancy is the lowest cost vacancy and forms a deep level 1.5 eV below the conduction band edge. The 3-fold intra-layer vacancy and the 2-fold inter-layer vacancy are higher cost defects, and form shallower levels. The unusual bonding rearrangements lead to low oxygen migration barriers, which are useful for resistive random access memory applications. © 2014 AIP Publishing LLC.

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Measurements consisting of γ-ray excitation functions and angular distributions were performed using the (n,n′γ) reaction on Ni62. The excitation function data allowed us to check the consistency of the placement of transitions in the level scheme. From γ-ray angular distributions, the lifetimes of levels up to ~3.8 MeV in excitation energy were extracted with the Doppler-shift attenuation method. The experimentally deduced values of reduced transition probabilities were compared with the predictions of the quadrupole vibrator model and with large-scale shell model calculations in the fp shell configuration space. Two-phonon states were found to exist with some notable deviation from the predictions of the quadrupole vibrator model, but no evidence for the existence of three-phonon states could be established. Z=28 proton core excitations played a major role in understanding the observed structure. © 2011 American Physical Society.

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Humans perform fascinating science experiments at home on a daily basis when they undertake the modification of natural and naturally-derived materials by a cooking process prior to consumption. The material properties of such foods are of interest to food scientists (texture is often fundamental to food acceptability), oral biologists (foods modulate feeding behavior), anthropologists (cooking is probably as old as the genus Homo and distinguishes us from all other creatures) and dentists (foods interact with tooth and tooth replacement materials). Materials scientists may be interested in the drastic changes in food properties observed over relatively short cooking times. In the current study, the mechanical properties of one of the most common (and oldest at 4,000+ years) foods on earth, the noodle, were examined as a function of cooking time. Two types of noodles were studied, each made from natural materials (wheat flour, salt, alkali and water) by kneading dough and passing them through a pasta-making machine. These were boiled for between 2-14 min and tested at regular intervals from raw to an overcooked state. Cyclic tensile tests at small strain levels were used to examine energy dissipation characteristics. Energy dissipation was >50% per cycle in uncooked noodles, but decreased by an order of magnitude with cooking. Fractional dissipation values remained approximately constant at cooking times greater than 7 min. Overall, a greater effect of cooking was on viscoplastic dissipation characteristics rather than on fracture resistance. The results of the current study plot the evolution of a viscoplastic mixture into an essentially elastic material in the space of 7 minutes and have broad implications for understanding what cooking does to food materials. In particular, they suggest that textural assessment by consumers of the optimally cooked state of food has a definite physical definition. © 2007 Materials Research Society.

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In this paper, the effect of seal clearance on the efficiency of a turbine with a shrouded rotor is compared with the effect of the tip clearance when the same turbine has an unshrouded rotor. The shrouded versus unshrouded comparison was undertaken for two turbine stage designs one having 50% reaction the other having 24% reaction. Measurements for a range of clearances, including very small clearances, showed three important phenomena. Firstly, as the clearance is reduced, there is a "break-even clearance" at which both the shrouded turbine and the unshrouded turbine have the same efficiency. If the clearance is reduced further, the unshrouded turbine performs better than the shrouded turbine, with the difference at zero clearance termed the "offset loss". This is contrary to the traditional assumption that both shrouded and unshrouded turbines have the same efficiency at zero clearance. The physics of the break-even clearance and the offset loss are discussed. Secondly, the use of a lower reaction had the effect of reducing the tip leakage efficiency penalty for both the shrouded and the unshrouded turbines. In order to understand the effect of reaction on the tip leakage, an analytical model was used and it was found that the tip leakage efficiency penalty should be understood as the dissipated kinetic energy rather than either the tip leakage mass flow rate or the tip leakage loss coefficient. Thirdly, it was also observed that, at a fixed flow coefficient, the fractional change in the output power with clearance was approximately twice the fractional change in efficiency with clearance. This was explained by using an analytical model. © 2010 by ASME.

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A computational impact analysis methodology has been developed, based on modal analysis and a local contact force-deflection model. The contact law is based on Hertz contact theory while contact stresses are elastic, defines a modified contact theory to take account of local permanent indentation, and considers elastic recovery during unloading. The model was validated experimentally through impact testing of glass-carbon hybrid braided composite panels. Specimens were mounted in a support frame and the contact force was inferred from the deceleration of the impactor, measured by high-speed photography. A Finite Element analysis of the panel and support frame assembly was performed to compute the modal responses. The new contact model performed well in predicting the peak forces and impact durations for moderate energy impacts (15 J), where contact stresses locally exceed the linear elastic limit and damage may be deemed to have occurred. C-scan measurements revealed substantial damage for impact energies in the range of 30-50 J. For this regime the new model predictions might be improved by characterisation of the contact law hysteresis during the unloading phase, and a modification of the elastic vibration response in line with damage levels acquired during the impact. © 2011 Elsevier Ltd. All rights reserved.

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Preliminary lifetime values have been measured for a number of near-yrast states in the odd-A transitional nuclei 107Cd and 103Pd. The reaction used to populate the nuclei of interest was 98Mo( 12C,3nxα)107Cd, 103Pd, with the beam delivered by the tandem accelerator of the Wright Nuclear Structure Laboratory at an incident beam energy of 60 MeV. Our experiment was aimed at the investigation of collective excitations built on the unnatural parity, ν h11/2 orbital, specifically by measuring the B(E2) values of decays from the excited levels built on this intrinsic structure, using the Doppler Recoil Distance Method. We report lifetimes and associated transition probabilities for decays from the 15/2- and the 19/2- states in 107Cd and the first measurement of the 15/2- state in 103Pd. These results suggest that neither a simple rotational or vibrational interpretation is sufficient to explain the observed structures. © 2006 American Institute of Physics.

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The power-conversion efficiency of solid-state dye-sensitized solar cells can be optimized by reducing the energy offset between the highest occupied molecular orbital (HOMO) levels of dye and hole-transporting material (HTM) to minimize the loss-in-potential. Here, we report a study of three novel HTMs with HOMO levels slightly above and below the one of the commonly used HTM 2,2′,7,7′- tetrakis(N,N-di-p-methoxyphenylamino)-9,9′- spirobifluorene (spiro-OMeTAD) to systematically explore this possibility. Using transient absorption spectroscopy and employing the ruthenium based dye Z907 as sensitizer, it is shown that, despite one new HTM showing a 100% hole-transfer yield, all devices based on the new HTMs performed worse than those incorporating spiro-OMeTAD. We further demonstrate that the design of the HTM has an additional impact on the electronic density of states present at the TiO2 electrode surface and hence influences not only hole- but also electron-transfer from the sensitizer. These results provide insight into the complex influence of the HTM on charge transfer and provide guidance for the molecular design of new materials. © 2013 American Chemical Society.

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In this paper, the effect of seal clearance on the efficiency of a turbine with a shrouded rotor is compared with the effect of the tip clearance when the same turbine has an unshrouded rotor. The shrouded versus unshrouded comparison was undertaken for two turbine stage designs one having 50% reaction, the other having 24% reaction. Measurements for a range of clearances, including very small clearances, showed three important phenomena. Firstly, as the clearance is reduced, there is a "break-even clearance" at which both the shrouded turbine and the unshrouded turbine have the same efficiency. If the clearance is reduced further, the unshrouded turbine performs better than the shrouded turbine, with the difference at zero clearance termed the "offset loss." This is contrary to the traditional assumption that both shrouded and unshrouded turbines have the same efficiency at zero clearance. The physics of the break-even clearance and the offset loss are discussed. Secondly, the use of a lower reaction had the effect of reducing the tip leakage efficiency penalty for both the shrouded and the unshrouded turbines. In order to understand the effect of reaction on the tip leakage, an analytical model was used and it was found that the tip leakage efficiency penalty should be understood as the dissipated kinetic energy rather than either the tip leakage mass flow rate or the tip leakage loss coefficient. Thirdly, it was also observed that, at a fixed flow coefficient, the fractional change in the output power with clearance was approximately twice the fractional change in efficiency with clearance. This was explained by using an analytical model. © 2014 by ASME.

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In the arena of vibration energy harvesting, the key technical challenges continue to be low power density and narrow operational frequency bandwidth. While the convention has relied upon the activation of the fundamental mode of resonance through direct excitation, this article explores a new paradigm through the employment of parametric resonance. Unlike the former, oscillatory amplitude growth is not limited due to linear damping. Therefore, the power output can potentially build up to higher levels. Additionally, it is the onset of non-linearity that eventually limits parametric resonance; hence, this approach can also potentially broaden the operating frequency range. Theoretical prediction and numerical modelling have suggested an order higher in oscillatory amplitude growth. An experimental macro-sized electromagnetic prototype (practical volume of ∼1800 cm3) when driven into parametric resonance, has demonstrated around 50% increase in half power band and an order of magnitude higher peak power density normalised against input acceleration squared (293 μW cm-3 m-2 s4 with 171.5 mW at 0.57 m s-2) in contrast to the same prototype directly driven at fundamental resonance (36.5 μW cm-3 m-2 s4 with 27.75 mW at 0.65 m s-2). This figure suggests promising potentials while comparing with current state-of-the-art macro-sized counterparts, such as Perpetuum's PMG-17 (119 μW cm-3 m-2 s4). © The Author(s) 2013.