6 resultados para infrared spectroscopy,chemometrics,least squares support vector machines

em Repositório Científico da Universidade de Évora - Portugal


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This paper compares the performance of the complex nonlinear least squares algorithm implemented in the LEVM/LEVMW software with the performance of a genetic algorithm in the characterization of an electrical impedance of known topology. The effect of the number of measured frequency points and of measurement uncertainty on the estimation of circuit parameters is presented. The analysis is performed on the equivalent circuit impedance of a humidity sensor.

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A finite-strain solid–shell element is proposed. It is based on least-squares in-plane assumed strains, assumed natural transverse shear and normal strains. The singular value decomposition (SVD) is used to define local (integration-point) orthogonal frames-of-reference solely from the Jacobian matrix. The complete finite-strain formulation is derived and tested. Assumed strains obtained from least-squares fitting are an alternative to the enhanced-assumed-strain (EAS) formulations and, in contrast with these, the result is an element satisfying the Patch test. There are no additional degrees-of-freedom, as it is the case with the enhanced-assumed-strain case, even by means of static condensation. Least-squares fitting produces invariant finite strain elements which are shear-locking free and amenable to be incorporated in large-scale codes. With that goal, we use automatically generated code produced by AceGen and Mathematica. All benchmarks show excellent results, similar to the best available shell and hybrid solid elements with significantly lower computational cost.

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Markets are increasingly competitive and the companies feel the urge to improve their manufacturing processes. Blending that with a larger control of quality and safety it was created a need to develop new methods of analysis each time more accurate, faster and with lower costs. Alentejo is a region with a wide variety of soils, most of them are rich in calcium and potassium. In the production of sparkling wine many wineries use encapsulated yeast in alginate beads, instead of the traditional method, champenoise. The first method is faster, allowing a more versatile production, reducing the risk of contamination and features organoleptic characteristics similar to the traditional method (yeast free). However, encapsulated yeast spheres should be only used if the base wine matches a number of features, among them calcium content. In this study the calcium content in the wine was determined by atomic absorption spectroscopy (AAS) and by near-infrared spectroscopy. The AAS is a high sensitivity method clearly produces a reliable result, however it is very time consuming and produces great quantities of environmental waste, therefore the possibility of using near-infrared spectroscopy as a method was studied to be a fast, simple and clean alternative to the AAS. It was obtained a calibration model with a variation coefficient higher than 0.80 which indicates that the near-infrared spectroscopy as an adequately alternative the ASS.

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A finite-strain solid–shell element is proposed. It is based on least-squares in-plane assumed strains, assumed natural transverse shear and normal strains. The singular value decomposition (SVD) is used to define local (integration-point) orthogonal frames-of- reference solely from the Jacobian matrix. The complete finite-strain formulation is derived and tested. Assumed strains obtained from least-squares fitting are an alternative to the enhanced-assumed-strain (EAS) formulations and, in contrast with these, the result is an element satisfying the Patch test. There are no additional degrees-of-freedom, as it is the case with the enhanced- assumed-strain case, even by means of static condensation. Least-squares fitting produces invariant finite strain elements which are shear-locking free and amenable to be incorporated in large-scale codes. With that goal, we use automatically generated code produced by AceGen and Mathematica. All benchmarks show excellent results, similar to the best available shell and hybrid solid elements with significantly lower computational cost.

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Two novelties are introduced: (i) a finite-strain semi-implicit integration algorithm compatible with current element technologies and (ii) the application to assumed-strain hexahedra. The Löwdin algo- rithm is adopted to obtain evolving frames applicable to finite strain anisotropy and a weighted least- squares algorithm is used to determine the mixed strain. Löwdin frames are very convenient to model anisotropic materials. Weighted least-squares circumvent the use of internal degrees-of-freedom. Het- erogeneity of element technologies introduce apparently incompatible constitutive requirements. Assumed-strain and enhanced strain elements can be either formulated in terms of the deformation gradient or the Green–Lagrange strain, many of the high-performance shell formulations are corotational and constitutive constraints (such as incompressibility, plane stress and zero normal stress in shells) also depend on specific element formulations. We propose a unified integration algorithm compatible with possibly all element technologies. To assess its validity, a least-squares based hexahedral element is implemented and tested in depth. Basic linear problems as well as 5 finite-strain examples are inspected for correctness and competitive accuracy.

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The comparative study based on spectroscopic analysis of the materials used to produce four sixteenth-century Manueline Charters (the Charters of Alcochete, Terena, Alandroal and Evora) was performed following a systematic analytical approach. SEM–EDS, l-Raman and l-FTIR analysis highlighted interesting features between them, namely the use of different pigments and colourants (such as different green and yellow pigments), the presence of pigments alterations and the use of a non-expected extemporaneous material (with the presence of titanium white in the Charter of Alcochete). Principal component analysis restricted to the C–H absorption region (3000–2840 cm-1) was applied to 36 infrared spectra of blue historical samples from the Charters of Alcochete,Terena, Alandroal and Évora, suggesting the use of a mixture of a triglyceride and polysaccharide as binder.