LC-MS based methods for phytosterols determination in oenological matrices. Targeted metabolomic study of Rioja grape varieties

221 p.+ anexos

One-dimensional potential for image-potential states on graphene

In the framework of dielectric theory, the static non-local self-energy of an electron near an ultra-thin polarizable layer has been calculated and applied to study binding energies of image-potential states near free-standing graphene. The corresponding series of eigenvalues and eigenfunctions have been obtained by numerically solving the one-dimensional Schrodinger equation. The imagepotential state wave functions accumulate most of their probability outside the slab. We find that the random phase approximation (RPA) for the nonlocal dielectric function yields a superior description for the potential inside the slab, but a simple Fermi-Thomas theory can be used to get a reasonable quasi-analytical approximation to the full RPA result that can be computed very economically. Binding energies of the image-potential states follow a pattern close to the Rydberg series for a perfect metal with the addition of intermediate states due to the added symmetry of the potential. The formalism only requires a minimal set of free parameters: the slab width and the electronic density. The theoretical calculations are compared with experimental results for the work function and image-potential states obtained by two-photon photoemission.

Self-Similarity and helical symmetry in vortex generator flow simulations

According to experimental observations, the vortices generated by vortex generators have previously been observed to be self-similar for both the axial (u(z)) and azimuthal (u(circle minus)) velocity profiles. Further, the measured vortices have been observed to obey the criteria for helical symmetry. This is a powerful result, since it reduces the highly complex flow to merely four parameters. In the present work, corresponding computer simulations using Reynolds-Averaged Navier-Stokes equations have been carried out and compared to the experimental observations. The main objective of this study is to investigate how well the simulations can reproduce the physics of the flow and if the same analytical model can be applied. Using this model, parametric studies can be significantly reduced and, further, reliable simulations can substantially reduce the costs of the parametric studies themselves.

Computational study of the vortex path variation with the VG height

An extensive range of conventional, vane-type, passive vortex generators (VGs) are in use for successful applications of flow separation control. In most cases, the VG height is designed with the same thickness as the local boundary layer at the VG position. However, in some applications, these conventional VGs may produce excess residual drag. The so-called low-profile VGs can reduce the parasitic drag associated to this kind of passive control devices. As suggested by many authors, low-profile VGs can provide enough momentum transfer over a region several times their own height for effective flow-separation control with much lower drag. The main objective of this work is to study the variation of the path and the development of the primary vortex generated by a rectangular VG mounted on a flat plate with five different device heights h = delta, h(1) = 0.8 delta, h(2) = 0.6 delta, h(3) = 0.4 delta and h(4) = 0.2 delta, where delta is the local boundary layer thickness. For this purpose, computational simulations have been carried out at Reynolds number Re = 1350 based on the height of the conventional VG h = 0.25m with the angle of attack of the vane to the oncoming flow beta = 18.5 degrees. The results show that the VG scaling significantly affects the vortex trajectory and the peak vorticity generated by the primary vortex.

A meta-analytic approach to quantifying scientific uncertainty in stock assessments

Quantifying scientific uncertainty when setting total allowable catch limits for fish stocks is a major challenge, but it is a requirement in the United States since changes to national fisheries legislation. Multiple sources of error are readily identifiable, including estimation error, model specification error, forecast error, and errors associated with the definition and estimation of reference points. Our focus here, however, is to quantify the influence of estimation error and model specification error on assessment outcomes. These are fundamental sources of uncertainty in developing scientific advice concerning appropriate catch levels and although a study of these two factors may not be inclusive, it is feasible with available information. For data-rich stock assessments conducted on the U.S. west coast we report approximate coefficients of variation in terminal biomass estimates from assessments based on inversion of the assessment of the model’s Hessian matrix (i.e., the asymptotic standard error). To summarize variation “among” stock assessments, as a proxy for model specification error, we characterize variation among multiple historical assessments of the same stock. Results indicate that for 17 groundfish and coastal pelagic species, the mean coefficient of variation of terminal biomass is 18%. In contrast, the coefficient of variation ascribable to model specification error (i.e., pooled among-assessment variation) is 37%. We show that if a precautionary probability of overfishing equal to 0.40 is adopted by managers, and only model specification error is considered, a 9% reduction in the overfishing catch level is indicated.

Calibrating Analytical Models for Semilocal Strings

In this work we calibrate two different analytic models of semilocal strings by constraining the values of their free parameters. In order to do so, we use data obtained from the largest and most accurate field theory simulations of semilocal strings to date, and compare several key properties with the predictions of the models. As this is still work in progress, we present some preliminary results together with descriptions of the methodology we are using in the characterisation of semilocal string networks.

A fisheries co-management case study from The Gambia

User involvement in fisheries management has been around for some time, but few analytical papers have been published on the subject in Africa. Most of these initiatives fall under the rubric of co-management. But what is the concept of co-management in theory and how does it work in practice? In reviewing a comprehensive artisanal fisheries development project, we will attempt to answer this question in the context of The Gambia.

Analytical approximations for the modal acoustic impedances of simply supported, rectangular plates.

Coupling of the in vacuo modes of a fluid-loaded, vibrating structure by the resulting acoustic field, while known to be negligible for sufficiently light fluids, is still only partially understood. A particularly useful structural geometry for the study of this problem is the simply supported, rectangular flat plate, since it exhibits all the relevant physical features while still admitting an analytical description of the modes. Here the influence of the fluid can be expressed in terms of a set of doubly infinite integrals over wave number: the modal acoustic impedances. Closed-form solutions for these impedances do not exist and, while their numerical evaluation is possible, it greatly increases the computational cost of solving the coupled system of modal equations. There is thus a need for accurate analytical approximations. In this work, such approximations are sought in the limit where the modal wavelength is small in comparison with the acoustic wavelength and the plate dimensions. It is shown that contour integration techniques can be used to derive analytical formulas for this regime and that these formulas agree closely with the results of numerical evaluations. Previous approximations [Davies, J. Sound Vib. 15(1), 107-126 (1971)] are assessed in the light of the new results and are shown to give a satisfactory description of real impedance components, but (in general) erroneous expressions for imaginary parts.

Study of iron saturation in Brushless Doubly-Fed induction machines

This paper presents an analytical modelling approach for the Brushless Doubly-Fed Machine (BDFM) taking iron saturation into account. A generalised coupled-circuit model is developed which considers stator and rotor teeth saturation effects. A method of calculating the machine inductance parameters is presented which can be implemented in time-stepping simulations. The model has been implemented in MATLAB/Simulink and verified by Finite Element analysis and experimental tests. The tests are carried out on a 180 frame size BDFM. Flux search coils have been utilised to measure airgap and teeth flux densities. © 2010 IEEE.

Numerical study of soil heterogeneity effects on contaminant transport in unsaturated soil (model development and validation)

The movement of chemicals through soil to groundwater is a major cause of degradation of water resources. In many cases, serious human and stock health implications are associated with this form of pollution. The study of the effects of different factors involved in transport phenomena can provide valuable information to find the best remediation approaches. Numerical models are increasingly being used for predicting or analyzing solute transport processes in soils and groundwater. This article presents the development of a stochastic finite element model for the simulation of contaminant transport through soils with the main focus being on the incorporation of the effects of soil heterogeneity in the model. The governing equations of contaminant transport are presented. The mathematical framework and the numerical implementation of the model are described. The comparison of the results obtained from the developed stochastic model with those obtained from a deterministic method and some experimental results shows that the stochastic model is capable of predicting the transport of solutes in unsaturated soil with higher accuracy than deterministic one. The importance of the consideration of the effects of soil heterogeneity on contaminant fate is highlighted through a sensitivity analysis regarding the variance of saturated hydraulic conductivity as an index of soil heterogeneity. © 2011 John Wiley & Sons, Ltd.

Study on small-strain behaviours of methane hydrate sandy sediments using discrete element method

Methane hydrate bearing soil has attracted increasing interest as a potential energy resource where methane gas can be extracted from dissociating hydrate-bearing sediments. Seismic testing techniques have been applied extensively and in various ways, to detect the presence of hydrates, due to the fact that hydrates increase the stiffness of hydrate-bearing sediments. With the recognition of the limitations of laboratory and field tests, wave propagation modelling using Discrete Element Method (DEM) was conducted in this study in order to provide some particle-scale insights on the hydrate-bearing sandy sediment models with pore-filling and cementation hydrate distributions. The relationship between shear wave velocity and hydrate saturation was established by both DEM simulations and analytical solutions. Obvious differences were observed in the dependence of wave velocity on hydrate saturation for these two cases. From the shear wave velocity measurement and particle-scale analysis, it was found that the small-strain mechanical properties of hydrate-bearing sandy sediments are governed by both the hydrate distribution patterns and hydrate saturation. © 2013 AIP Publishing LLC.

Analytical model and experimental validation of friction laws for composites under low loads

In order to account for interfacial friction of composite materials, an analytical model based on contact geometry and local friction is proposed. A contact area includes several types of microcontacts depending on reinforcement materials and their shape. A proportion between these areas is defined by in-plane contact geometry. The model applied to a fibre-reinforced composite results in the dependence of friction on surface fibre fraction and local friction coefficients. To validate this analytical model, an experimental study on carbon fibrereinforced epoxy composites under low normal pressure was performed. The effects of fibre volume fraction and fibre orientation were studied, discussed and compared with analytical model results. © Springer Science+Business Media, LLC 2012.

A physico-chemical comparative study on extracellular carbohydrate polymers from five desert algae

Hydrodynamic properties of five newly isolated algal extracellular polysaccharides with putative adhesive properties are described, using a combination of size exclusion chromatography, total or 'multi-angle' laser light scattering and analytical ultracentrifugation. The respective polysaccharides had been extracted from four filamentous cyanobacteria: Microcoleus vaginatus, Scytonema javanicum, Phormidium tenue and Nostoc sp. and a coccoid single-cell green. algae Desmococcus olivaceus that had been separated from desert algal crusts of the Chinese Tegger Desert. SEC/MALLS experiments showed that the saccharides had, diverse-weight average molecular weights ranging from 4000 to 250,000 g/mol and all five showed either bi-modal or tri-modal molecular weight distribution profiles. Use of the Mark-Houwink-Kuhn-Sakurada (MHKS) scaling relationship between sedimentation coefficient and (weight average) molecular weight for the five samples, assuming a homologous conformation series revealed an MHKS b exponent of (0.33 +/- 0.04), suggesting a conformation between that of a stiff rod (b similar to 0.18) and a random coil (b similar to 0.4-0.5), i.e. a 'flexible rod' or 'stiff coil'. (C) 2003 Elsevier Ltd. All rights reserved.

Study on the reverse characteristics of Ti/6H-SiC Schottky contacts

The reverse I(V) measurement and analytic calculation of the electron transport across a Ti/6H-SiC Schottky barrier are presented. Based on the consideration of the barrier fluctuations and the barrier height shift caused by image charge and the applied voltage drop across Ti/SiC interfical layer, a comprehensive analytical model for the reverse tunneling current is developed using a WKB calculation of the tunneling probability through a reverse biased Schottky barrier. This model takes into account the main reverse conduction mechanism, such as field emission, thermionic field emission and thermionic emission. The fact that the simulated results are in good agreement with the experimental data indicates that the barrier height shift and barrier fluctuation can lead to reverse current densities orders of magnitude higher than that obtained from a simple theory. It is shown that the field and thermionic field emission processes, in which carries can tunnel through the barrier but cannot surmount it with insufficient thermal energy, dominate the reverse characteristics of a SiC Schottky contacts in a normal working condition.