983 resultados para Effective Core Potentials


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The present article reports a facile method for preparing the vertically-aligned 1D arrays of a new type of type II n-n TiO2/ZnO core/shell nano-heterostructures by growing the nano-shell of ZnO on the electrochemically fabricated TiO2 nanotubes core for visible light driven photoelectrochemical applications. The strong interfacial interaction at the type II heterojunction leads to an effective interfacial charge separation and charge transport. The presence of various defects such as surface states, interface states and other defects in the nano-heterostructure enable it for improved visible light photoelectrochemical performance. The presence of such defects has also been confirmed by the UV-vis absorption, cathodoluminescence, and crystallographic studies. The TiO2/ZnO core/shell nano-heterostructures exhibit strong green luminescence due to the defect transitions. The TiO2/ZnO core/shell nano-heterostructures photo-electrode show significant enhancement of visible light absorption and it provides a photocurrent density of 0.7 mA cm(-2) at 1 V vs. Ag/AgCl, which is almost 2.7 times that of the TiO2/ZnO core/shell nano-heterostructures under dark conditions. The electrochemical impedance spectroscopy results demonstrate that the substantially improved photoelectrochemical and photo-switching performance of the nano-heterostructures photo-anode is because of the enhancement of interfacial charge transfer and the increase in the charge carrier density caused by the incorporation of the ZnO nano-shell on TiO2 nanotube core.

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Apart from activities of some foreign-based vessels, commercial exploitation of pelagic fishery resources in Nigeria has been limited to inland and inshore waters. Estimated potential for the inshore pelagic fishery is 70,000-90,000 tonnes while the small pelagic resources in the near offshore as well as tuna and tuna-like fishes further offshore have potentials of about 10,000 metric tonnes each. Despite the abundance of tuna within and adjoining the Nigerian EEZ, and its importance in the international market, only foreign-flagged vessels take advantage. In addition, the inshore pelagic fisheries in Nigeria have for long remained underexploited. The most common processing method has remained the age-old traditional smoke-drying, which is inadequate resulting in colossal waste through denaturation and incessant infestations by insects and moulds among other causes. The use of modern smoking techniques coupled with effective distribution systems can undoubtedly reduce waste. However, these are often not within the reach of most artisanal processors. It is proposed that the organised private sector should invest on simple but proven processing equipment such as smoking kilns. The inshore pelagic fish species and other small fishes can sustain cottage canning industries sited in fishing villages/settlements while larger canning factories should be based on offshore resources. Modalities for successful investments are highlighted, while a major consideration is given to joint ventures

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[EN] In this study, we explore native and non-native syntactic processing, paying special attention to the language distance factor. To this end, we compared how native speakers of Basque and highly proficient non-native speakers of Basque who are native speakers of Spanish process certain core aspects of Basque syntax. Our results suggest that differences in native versus non-native language processing strongly correlate with language distance: native/non-native processing differences obtain if a syntactic parameter of the non-native grammar diverges from the native grammar. Otherwise, non-native processing will approximate native processing as levels of proficiency increase. We focus on three syntactic parameters: (i) the head parameter, (ii) argument alignment (ergative/accusative), and (iii) verb agreement. The first two diverge in Basque and Spanish, but the third is the same in both languages. Our results reveal that native and non-native processing differs for the diverging syntactic parameters, but not for the convergent one. These findings indicate that language distance has a significant impact in non-native language processing.

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This thesis addresses the fine structure, both radial and lateral, of compressional wave velocity and attenuation of the Earth's core and the lowermost mantle using waveforms, differential travel times and amplitudes of PKP waves, which penetrate the Earth's core.

The structure near the inner core boundary (ICB) is studied by analyzing waveforms of a regional sample. The waveform modeling approach is demonstrated to be an effective tool for constrainning the ICB structure. The best model features a sharp velocity jump of 0.78km/s at the ICB and a low velocity gradient at the lowermost outer core (indicating possible inhomogeneity) and high attenuation at the top of the inner core.

A spherically symmetric P-wave model of the core, is proposed from PKP differential times, waveforms and amplitudes. The ICB remains sharp with a velocity jump of 0. 78km/ s. A very low velocity gradient at the base of the fluid core is demonstrated to be a robust feature, indicating inhomogeneity is practically inevitable. The model also indicates that the attenuation in the inner core decreases with depth. The velocity at D" is smaller than PREM.

The inner core is confirmed to be very anisotropic, possessing a cylindrical symmetry around the Earth spin axis with the N-S direction 3% faster than the E-W direction. All of the N-S rays through the inner core were found to be faster than the E-W rays by 1.5 to 3.5s. Exhaustive data selection and efforts in insolating contributions from the region above ensure that this is an inner core feature.

The anisotropy at the very top of the inner core is found to be distinctly different from the deeper part. The top 60km of the inner core is not anisotropic. From 60km to 150km, there appears to be a transition from isotropy to anisotropy.

PKP differential travel times are used to study the P velocity structure in D". Systematic regional variations of up to 2s in AB-DF times were observed, attributed primarily to heterogeneities in the lower 500km of the mantle. However, direct comparisons with tomographic models are not successful.

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Part I:

The earth's core is generally accepted to be composed primarily of iron, with an admixture of other elements. Because the outer core is observed not to transmit shear waves at seismic frequencies, it is known to be liquid or primarily liquid. A new equation of state is presented for liquid iron, in the form of parameters for the 4th order Birch-Murnaghan and Mie-Grüneisen equations of state. The parameters were constrained by a set of values for numerous properties compiled from the literature. A detailed theoretical model is used to constrain the P-T behavior of the heat capacity, based on recent advances in the understanding of the interatomic potentials for transition metals. At the reference pressure of 105 Pa and temperature of 1811 K (the normal melting point of Fe), the parameters are: ρ = 7037 kg/m3, KS0 = 110 GPa, KS' = 4.53, KS" = -.0337 GPa-1, and γ = 2.8, with γ α ρ-1.17. Comparison of the properties predicted by this model with the earth model PREM indicates that the outer core is 8 to 10 % less dense than pure liquid Fe at the same conditions. The inner core is also found to be 3 to 5% less dense than pure liquid Fe, supporting the idea of a partially molten inner core. The density deficit of the outer core implies that the elements dissolved in the liquid Fe are predominantly of lower atomic weight than Fe. Of the candidate light elements favored by researchers, only sulfur readily dissolves into Fe at low pressure, which means that this element was almost certainly concentrated in the core at early times. New melting data are presented for FeS and FeS2 which indicate that the FeS2 is the S-hearing liquidus solid phase at inner core pressures. Consideration of the requirement that the inner core boundary be observable by seismological means and the freezing behavior of solutions leads to the possibility that the outer core may contain a significant fraction of solid material. It is found that convection in the outer core is not hindered if the solid particles are entrained in the fluid flow. This model for a core of Fe and S admits temperatures in the range 3450K to 4200K at the top of the core. An all liquid Fe-S outer core would require a temperature of about 4900 K at the top of the core.

Part II.

The abundance of uses for organic compounds in the modern world results in many applications in which these materials are subjected to high pressures. This leads to the desire to be able to describe the behavior of these materials under such conditions. Unfortunately, the number of compounds is much greater than the number of experimental data available for many of the important properties. In the past, one approach that has worked well is the calculation of appropriate properties by summing the contributions from the organic functional groups making up molecules of the compounds in question. A new set of group contributions for the molar volume, volume thermal expansivity, heat capacity, and the Rao function is presented for functional groups containing C, H, and O. This set is, in most cases, limited in application to low molecular liquids. A new technique for the calculation of the pressure derivative of the bulk modulus is also presented. Comparison with data indicates that the presented technique works very well for most low molecular hydrocarbon liquids and somewhat less well for oxygen-bearing compounds. A similar comparison of previous results for polymers indicates that the existing tabulations of group contributions for this class of materials is in need of revision. There is also evidence that the Rao function contributions for polymers and low molecular compounds are somewhat different.

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Reprocessing of Light Water Reactor (LWR) spent fuel to recover plutonium or transuranics for use in Sodium cooled Fast Reactors (SFRs) is a distant prospect in the U.S.A. This has motivated our evaluation of potentially cost-effective operation of uranium startup fast reactors (USFRs) in a once-through mode. This review goes beyond findings reported earlier based on a UC fueled MgO reflected SFR to describe a broader parametric study of options. Cores were evaluated for a variety of fuel/coolant/reflector combinations: UC/UZr/UO 2/UN;Na/Pb; MgO/SS/Zr. The challenge is achieving high burnup while minimizing enrichment and respecting both cladding fluence/dpa and reactivity lifetime limits. These parametric studies show that while UC fuel is still the leading contender, UO 2 fuel and ZrH 1.7 moderated metallic fuel are also attractive if UC proves to be otherwise inadequate. Overall, these findings support the conclusion that a competitive fuel cycle cost and uranium utilization compared to LWRs is possible for SFRs operated on a once-through uranium fueled fuel cycle. In addition, eventual transition to TRU recycle mode is studied, as is a small test reactor to demonstrate key features.

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We theoretically investigate the energy spectra of two-electron two-dimensional (2e 2D) quantum dots (QDs) confined by triangular potentials and bowl-like potentials in a magnetic field by exact diagonalization in the framework of effective mass theory. An in-plane electric field is,found to contribute to the singlet-triplet transition of the ground state of the 2e 2D QDs confined by triangular or bowl-like potentials in a perpendicular magnetic field. The stronger the in-plane electric field, the smaller the magnetic field for the total spin of the ground states in the dot systems to change from S = 0 to S = 1. However, the influence of an in-plane electric field on the singlet-triplet transition of the ground state of two electrons in a triangular QD modulated by a perpendicular magnetic field is quite small because the triangular potential just deviates from the harmonic potential well slightly. We End that the strength of the perpendicular magnetic field needed for the spin singlet-triplet transition of the ground state of the QD confined by a bowl-like potential is reduced drastically by applying an in-plane electric field.

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The laterally confining potential of quantum dots (QDs) fabricated in semiconductor heterostructures is approximated by an elliptical two-dimensional harmonic-oscillator well or a bowl-like circular well. The energy spectrum of two interacting electrons in these potentials is calculated in the effective-mass approximation as a function of dot size and characteristic frequency of the confining potential by the exact diagonalization method. Energy level crossover is displayed according to the ratio of the characteristic frequencies of the elliptical confinement potential along the y axis and that along the x axis. Investigating the rovibrational spectrum with pair-correlation function and conditional probability distribution, we could see the violation of circular symmetry. However, there are still some symmetries left in the elliptical QDs. When the QDs are confined by a "bowl-like" potential, the removal of the degeneracy in the energy levels of QDs is found. The distribution of energy levels is different for the different heights of the barriers. (C) 2003 American Institute of Physics.

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By optimizing glass composition and using a multistage dehydration process, a ternary 80TeO(2)-10ZnO-10Na(2)O glass is obtained that shows excellent transparency in the wavelength range from 0.38 mu m up to 6.10 mu m. Based on this optimized composition, we report on the fabrication of a single-mode solid-core tellurite glass fiber with large mode area of 103 mu m(2) and low loss of 0.24 similar to 0.7 dB/m at 1550 nm. By using the continuous-wave self-phase modulation method, the non-resonant nonlinear refractive index n(2) and the effective nonlinear parameter gamma of this made tellurite glass fiber were estimated to be 3.8x10(-1)9 m(2)/W and 10.6 W-1.m(-1) at 1550 nm, respectively. (C) 2009 Optical Society of America

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LaF3. CeF3, CeF3:Tb3+, and CeF3:Tb3+ @LaF3 (core-shell) 2D nanoplates have been successfully synthesized by a facile and effective hydrothermal process. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), and photoluminescence (PL) spectra as well as kinetic decays were used to characterize the samples. The experimental results indicate that the organic additive, trisodium citrate (Cit(3-)), as a shape modifier has the dynamic effect by adjusting the growth rate of different crystal facets, resulting in forming the anisotropic geometries of the final products. The possible formation mechanisms for different products have been presented. The CeF3, CeF3:Tb3+, and CeF3:Tb3+ @LaF3 (core/shell) nanoplates show characteristic emission of Ce3+ (5d-4f) and Tb3+ (f-f), respectively.

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Bifunctional nanoarchitecture has been developed by combining the magnetic iron oxide and the luminescent Ru(bpy)(3)(2+) encapsulated in silica. First, the iron oxide nanoparticles were synthesized and coated with silica, which was used to isolate the magnetic nanoparticles from the outer-shell encapsulated Ru(bpy)(3)(2+) to prevent luminescence quenching. Then onto this core an outer shell of silica containing encapsulated Ru(bpy)(3)(2+) was grown through the Stober method. Highly luminescent Ru(bpy)(3)(2+) serves as a luminescent marker, while magnetic Fe3O4 nanoparticles allow external manipulation by a magnetic field. Since Ru(bpy)(3)(2+) is a typical electrochemiluminescence (ECL) reagent and it could still maintain such property when encapsulated in the bifunctional nanoparticle, we explored the feasibility of applying the as-prepared nanostructure to fabricating an ECL sensor; such method is simple and effective. We applied the prepared ECL sensor not only to the typical Ru(bpy)(3)(2+) co-reactant tripropylamine (TPA), but also to the practically important polyamines. Consequently, the ECL sensor shows a wide linear range, high sensitivity, and good stability.

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Au/Pt core shell nanoparticles (NPs) have been prepared via a layer-by-layer growth of Pt layers on An NPs using underpotential deposition (UPD) redox replacement technique. A single UPD Cu monolayer replacement with Pt(11) yielded a uniform Pt film on Au NPs, and the shell thickness can be tuned by controlling the number of UPD redox replacement cycles. Oxygen reduction reaction (ORR) in air-saturated 0.1 M H2SO4 was used to investigate the electrocatalytic behavior of the as-prepared core shell NPs. Cyclic voltammograms of ORR show that the peak potentials shift positively from 0.32 V to 0.48 V with the number of Pt layers increasing from one to five, suggesting the electrocatalytic activity increases with increasing the thickness of Pt shell. The increase in electrocatalytic activity may originate mostly from the large decrease of electronic influence of Au cores on surface Pt atoms. Rotating ring-disk electrode voltammetry and rotating disk electrode voltammetry demonstrate that ORR is mainly a four-electron reduction on the as-prepared modified electrode with 5 Pt layers and first charge transfer is the rate-determining step.

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Heteropolyanions of tungstophosphoric acid (PWA) have been successfully hybridized with carbon nanotubes (CNTs) by a severe mechanical milling. The obtained hybrid is electroactive for hydrogen evolution (HE) at potentials as positive as -0.16 V vs. Ag/AgCl in 0.2 M HClO4 aqueous solution and its electrocatalysis is up to the level of Pt/CNTs (20 wt% Pt) for HE, indicating a vigorous alternative to Pt group metals. The HE mechanism of the hybrid was also studied and it was found that the tungsten oxycarbides are the electroactive components for HE.

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A novel synthetic route for nearly monodispersed poly(methyl methacrylate)/SiO2 composite particles (PMSCP) is reported. Silica nanoparticles modified with oleic acid were used as 'seeds'. Methyl methacrylate (MMA) monomer was copolymerized with oleic acid via in situ emulsion polymerization, in the presence of an initiator; it resulted finally in the formation of composites with core-shell morphology. The composite particles were examined by transmission electron microscopy (TEM), scanning electron microscopy (SEM), x-ray photoelectron spectroscopy (XPS) and thermogravimetric analysis (TGA). The number of silica particles inside the composite particles increases with an increase in the silica concentration. The effect of grafted silica concentration on the morphology of PMSCP is also reported in detail. It was found by thermogravimetric analysis that PMSCP show a potential application for fire retardance.