Esta tesis presenta al Model Driven Hypermedia Development Method (MDHDM). MDHDM es un método de desarrollo de hipermedia basado en el modelado de procesos y la ingeniería dirigida por modelos. La conjunción de hipertexto y multimedia, por un lado, y la popularización de la Web, por otro, generaron desafíos que los métodos tradicionales no eran capaces de resolver. Entre ellos destaca el diseño y control de la navegación por espacios complejos de información, que ha llevado a los métodos de diseño de hipermedia y de la Ingeniería Web a presentar el modelo navegacional como la gran diferencia frente a los métodos tradicionales. Sin embargo, en la mayoría de los casos el modelo navegacional se deriva de los modelos estructurales. En MDHDM el eje central del modelado conceptual lo constituye el modelado del proceso de negocio, debido a que permiten representar la naturaleza dinámica de la realidad. El modelo navegacional de MDHDM está compuesto por las estructuras navegacionales derivadas del modelos de proceso y que son llamadas vistas navegacionales y enlaces fuertes. Este modelo se complementa con las estructuras navegacionales derivadas del modelo estructural compuesto por clases navegacionales, estructuras de acceso y enlaces débiles. En MDHDM se definen los metamodelos, transformaciones y marcas para poder generar automáticamente el modelo navegacional a partir de los modelos de proceso y estructural. Además, se comprueba la correcta construcción de los modelos a través de restricciones OCL. Los pasos siguientes al diseño navegacional: el diseño de la interfaz abstracta de usuario y la implementación también se abordan. Del primero se proporciona un metamodelo y para la implementación se han tratado algunos modelos específicos de la plataforma. Además, en la tesis se presentan dos casos de estudio. / Solís Pineda, C. (2008). Un método de desarrollo de hipermedia dirigido por modelos [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/3884 / Palancia

This thesis deals with the so-called Basis Set Superposition Error (BSSE) from both a methodological and a practical point of view. The purpose of the present thesis is twofold: (a) to contribute step ahead in the correct characterization of weakly bound complexes and, (b) to shed light the understanding of the actual implications of the basis set extension effects in the ab intio calculations and contribute to the BSSE debate. The existing BSSE-correction procedures are deeply analyzed, compared, validated and, if necessary, improved. A new interpretation of the counterpoise (CP) method is used in order to define counterpoise-corrected descriptions of the molecular complexes. This novel point of view allows for a study of the BSSE-effects not only in the interaction energy but also on the potential energy surface and, in general, in any property derived from the molecular energy and its derivativesA program has been developed for the calculation of CP-corrected geometry optimizations and vibrational frequencies, also using several counterpoise schemes for the case of molecular clusters. The method has also been implemented in Gaussian98 revA10 package. The Chemical Hamiltonian Approach (CHA) methodology has been also implemented at the RHF and UHF levels of theory for an arbitrary number interacting systems using an algorithm based on block-diagonal matrices. Along with the methodological development, the effects of the BSSE on the properties of molecular complexes have been discussed in detail. The CP and CHA methodologies are used for the determination of BSSE-corrected molecular complexes properties related to the Potential Energy Surfaces and molecular wavefunction, respectively.First, the behaviour of both BSSE-correction schemes are systematically compared at different levels of theory and basis sets for a number of hydrogen-bonded complexes. The Complete Basis Set (CBS) limit of both uncorrected and CP-corrected molecular properties like stabilization energies and intermolecular distances has also been determined, showing the capital importance of the BSSE correction. Several controversial topics of the BSSE correction are addressed as well. The application of the counterpoise method is applied to internal rotational barriers. The importance of the nuclear relaxation term is also pointed out. The viability of the CP method for dealing with charged complexes and the BSSE effects on the double-well PES blue-shifted hydrogen bonds is also studied in detail. In the case of the molecular clusters the effect of high-order BSSE effects introduced with the hierarchical counterpoise scheme is also determined.The effect of the BSSE on the electron density-related properties is also addressed. The first-order electron density obtained with the CHA/F and CHA/DFT methodologies was used to assess, both graphically and numerically, the redistribution of the charge density upon BSSE-correction. Several tools like the Atoms in Molecules topologycal analysis, density difference maps, Quantum Molecular Similarity, and Chemical Energy Component Analysis were used to deeply analyze, for the first time, the BSSE effects on the electron density of several hydrogen bonded complexes of increasing size. The indirect effect of the BSSE on intermolecular perturbation theory results is also pointed out It is shown that for a BSSE-free SAPT study of hydrogen fluoride clusters, the use of a counterpoise-corrected PES is essential in order to determine the proper molecular geometry to perform the SAPT analysis.

En el trabajo se definen modelos constitutivos que permiten reproducir el proceso de fallo de estructuras de materiales compuestos en distintas escalas bajo cargas estáticas. Se define un modelo constitutivo para determinar la respuesta de estructuras de materiales compuestos mediante la teoría de laminados. El modelo es validado mediante un programa de ensayos experimentales con probetas con un agujero central geométricamente similares. Se muestra la capacidad del modelo de detectar el efecto tamaño.Se define un modelo constitutivo para materiales transversalmente isótropos bajo estados tridimensionales de tensión. El modelo se valida analizando numéricamente el proceso de agrietamiento de la matriz. Finalmente se desarrolla un modelo analítico para determinar el agrietamiento de la matriz y la delaminación entre las capas. / In this contribution a set of constitutive models are defined to reproduce the damage processes that takes place in laminated composites until failure at different scales under static loads.A damage model is defined to determine the structural response of composite structures by means of laminated theory. The validation of this model is done by comparing the numerical results with an experimental program on open hole test specimens. The ability of the model to reproduce the size effect in laminated composite is demostrated.A damage model for a transversely isotropic material under tridimentional stress states is defined. It is numerically validated analysing the process of matrix cracking in multidirectional composites.Finally an analytical model is defined that describes the onset and evolution of matrix cracking and delamination .