Search results for "energies"
showing 8 items of 168 documents
The phase coexistence method to obtain surface free energies and nucleation barriers: a brief review
2018
A recently developed method where one analyses the finite size effects associated with liquid–solid phase equilibria including vapour–crystal coexistence is briefly reviewed. It is shown that the e...
High-precision mass measurements for the isobaric multiplet mass equation atA= 52
2017
Masses of $^{52}$Co, $^{52}$Co$^m$, $^{52}$Fe, $^{52}$Fe$^m$, and $^{52}$Mn have been measured with the JYFLTRAP double Penning trap mass spectrometer. Of these, $^{52}$Co and $^{52}$Co$^m$ have been experimentally determined for the first time and found to be more bound than predicted by extrapolations. The isobaric multiplet mass equation for the $T=2$ quintet at $A=52$ has been studied employing the new mass values. No significant breakdown (beyond the $3\sigma$ level) of the quadratic form of the IMME was observed ($\chi^2/n=2.4$). The cubic coefficient was 6.0(32) keV ($\chi^2/n=1.1$). The excitation energies for the isomer and the $T=2$ isobaric analogue state in $^{52}$Co have been d…
Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations
2019
Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented using localized basis sets of reduced size, leaving no variational flexibility for the extra electron to delocalize. Alternatively, a recent approach exploiting DFT evaluations of total energies on electronic densities optimized at the Hartree-Fock (HF) level has been reported, showing that the self-interaction-free HF densities are able to lead to an improved description of the additional electron, returning affinities in close agreement with the experiments. Nonetheless, such an approach can fail when the HF densitie…
Structures and energetic properties of 4-halobenzamides
2018
The amide bond represents one of the most fundamental functional groups in chemistry. The properties of amides are defined by amidic resonance (nN→π*C=O conjugation), which enforces planarity of the six atoms comprising the amide bond. Despite the importance of 4-halo-substituted benzamides in organic synthesis, molecular interactions and medicinal chemistry, the effect of 4-halo-substitution on the properties of the amide bond in N,N-disubstituted benzamides has not been studied. Herein, we report the crystal structures and energetic properties of a full series of 4-halobenzamides. The structures of four 4-halobenzamides (halo = iodo, bromo, chloro and fluoro) in the N-morpholinyl series h…
L'estratègia per a la integració del sistema energètic
2023
El documento ha recibido ayuda de la Cátedra UNESCO 2023 de la Universitat de València. En esta publicació estudie l'Estratègia per a la integració del sistema energètic dins del Pacte Verd Europeu. In this publication I discuss the European Commission's Strategy for Energy System Integration in the framework of the European Green Deal.
Thèse : L'intégration de l'environnement au droit de l'électricité. Vers le renouvellement d'un service public.
2012
Equality, continuity and adaptability. Foundations of the right of the public utilities, Rolland laws apply vigorously to the public service for electricity, where activities did not change since the advent of the « electricity fairy ». It is always about producing, transporting, distributing and supplying electricity, respecting the general interest. Nevertheless, the legal framework applicable to these activities is under a dramatic transition, stemming from the will of the European Union to create a single market for electricity. These changes incrementally drive to a shift of the public utility, basically socially oriented, to more and more demanding and diversified economic objectives.…
La politique éolienne et ses effets sur le développement local. Une analyse basée sur le système des acteurs (Loja, Equateur)
2020
La política energética ecuatoriana pretende que las centrales eléctricas contribuyan al desarrollo local en las áreas en las que se implantan. A partir del caso de estudio del Parque Eólico Villonaco (PEV), la pregunta de investigación que se plantea es si el Plan de Desarrollo Territorial Comunitario (PDTC) que se está implementando en la zona de influencia del Parque, está teniendo efectos socio-territoriales positivos. Se utiliza una metodología cualitativa, a partir de entrevistas semiestructuradas a actores clave. Los resultados obtenidos indican que la central eólica ha empezado a tener efectos positivos en el ámbito de los equipamientos educativos, la infraestructura vial, o en el al…
Quenched and annealed free energies
1984
This paper gives a simple exposition of the Nishimori method to solve certain quenched, random bond spin-glass models. It allows a transparent physical interpretation in terms of annealed systems. As an application a special solution of the Sherrington-Kirkpatrick model with a discrete probability distribution is obtained and shown to agree with the solution for the Gaussian case. This substantiates the claim that the averaged free energy does not depend on the details of the probability distribution Expose simple de la methode de Nishimori pour resoudre certains modeles de verres de spin avec interactions aleatoires. Interpretation transparente en termes de systemes recuits. Presentation d…