Ciclos limites e a equação de van der Pol

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Aplicações da equação de Van Der Waals no estudo de colisões entre átomos e moléculas

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Weyl-van der Waerden spinor technique for spin-3/2 fermions

We use the Weyl-van der Waerden spinor technique to construct helicity wave functions for massless and massive spin-3/2 fermions. We apply our formalism to evaluate helicity amplitudes taking into account some phenomenological couplings involving these particles.

A classificação das disciplinas matemáticas e a Mathesis Universalis nos séculos XVI e XVII: um estudo do pensamento de Adriaan van Roomen

Pós-graduação em Educação Matemática - IGCE

Review of The Biology of Freshwater Wetlands: Biology of Habitats by Arnold G. van der Valko

Wetland ecology is a relatively new field that developed from an initial interest in a few direct benefits that wetlands provide to society. Consequently, much early scientific work was stimulated by economic returns from specific wetland services, such as production of peat and provision of habitat for economically valuable wildlife (e.g., waterfowl and furbearers). Over time, societal interest in wetlands broadened, and these unique habitats are now valued for many additional services, including some that bear non market value. Common examples include carbon sequestration, flood reduction, water purification, and aesthetics. The increased recognition of the importance of wetlands has generated a diversity of job opportunities in wetland ecology and management. Despite the increased knowledge base and enhanced job market, I am not aware of any institutions that offer specialty degrees in this new discipline. Indeed, relatively few institutions offer specific wetland ecology classes, with Arnold G. van der Valk and a few of his peers at other universities being notable exceptions.

Encapsulation of small magnetic clusters in fullerene cages: A density functional theory investigation within van der Waals corrections

The encapsulation of magnetic transition-metal (TM) clusters inside carbon cages (fullerenes, nanotubes) has been of great interest due to the wide range of applications, which spread from medical sensors in magnetic resonance imaging to photonic crystals. Several theoretical studies have been reported; however, our atomistic understanding of the physical properties of encapsulated magnetic TM 3d clusters is far from satisfactory. In this work, we will report general trends, derived from density functional theory within the generalized gradient approximation proposed by Perdew, Burke, and Ernzerhof (PBE), for the encapsulation properties of the TMm@C-n (TM = Fe, Co, Ni; m = 2-6, n = 60,70,80,90) systems. Furthermore, to understand the role of the van der Waals corrections to the physical properties, we employed the empirical Grimme's correction (PBE + D2). We found that both PBE and PBE + D2 functionals yield almost the same geometric parameters, magnetic and electronic properties, however, PBE + D2 strongly enhances the encapsulation energy. We found that the center of mass of the TMm clusters is displaced towards the inside C-n surfaces, except for large TMm clusters (m = 5 and 6). For few cases, e. g., Co-4 and Fe-4, the encapsulation changes the putative lowest-energy structure compared to the isolated TMm clusters. We identified few physical parameters that play an important role in the sign and magnitude of the encapsulation energy, namely, cluster size, fullerene equatorial diameter, shape, curvature of the inside C-n surface, number of TM atoms that bind directly to the inside C-n surface, and the van der Waals correction. The total magnetic moment of encapsulated TMm clusters decreases compared with the isolated TMm clusters, which is expected due to the hybridization of the d-p states, and strongly depends on the size and shape of the fullerene cages.

Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

Nowadays, there is a great interest in the economic success of direct ethanol fuel cells; however, our atomistic understanding of the designing of stable and low-cost catalysts for the steam reforming of ethanol is still far from satisfactory, in particular due to the large number of undesirable intermediates. In this study, we will report a first-principles investigation of the adsorption properties of ethanol and water at low coverage on close-packed transition-metal (TM) surfaces, namely, Fe(110), Co(0001), Ni(111), Cu(111), Ru(0001), Rh(111), Pd(111), Ag(111), Os(0001), Ir(111), Pt(111), and Au(111), employing density functional theory (DFT) calculations. We employed the generalized gradient approximation with the formulation proposed by Perdew, Burke, and Erzenholf (PBE) to the exchange correlation functional and the empirical correction proposed by S. Grimme (DFT+D3) for the van der Waals correction. We found that both adsorbates binds preferentially near or on the on top sites of the TM surfaces through the 0 atoms. The PBE adsorption energies of ethanol and water decreases almost linearly with the increased occupation of the 4d and 5d d-band, while there is a deviation for the 3d systems. The van der Waals correction affects the linear behavior and increases the adsorption energy for both adsorbates, which is expected as the van der Waals energy due to the correlation effects is strongly underestimated by DFT-PBE for weak interacting systems. The geometric parameters for water/TM are not affected by the van der Waals correction, i.e., both DFT and DFT+D3 yield an almost parallel orientation for water on the TM surfaces; however, DFT+D3 changes drastically the ethanol orientation. For example, DFT yields an almost perpendicular orientation of the C-C bond to the TM surface, while the C-C bond is almost parallel to the surface using DFT +D3 for all systems, except for ethanol/Fe(110). Thus, the van der Waals correction decreases the distance of the C atoms to the TM surfaces, which might contribute to break the C-C bond. The work function decreases upon the adsorption of ethanol and water, and both follow the same trends, however, with different magnitude (larger for ethanol/TM) due to the weak binding of water to the surface. The electron density increases mainly in the region between the topmost layer and the adsorbates, which explains the reduction of the substrate work function.

Claves de lo portante en la arquitectura moderna : la villa Savoye de Le Corbusier y Pierre Jeanneret, y la casa Tugendhat de Mies van der Rohe

Programa de doctorado: Restauración y rehabilitación arquitectónica.

Electronic properties of Van der Waals heterostructures

L’interazione spin-orbita (SOI) nel grafene è attualmente oggetto di intensa ricerca grazie alla recente scoperta di una nuova classe di materiali chiamati isolanti topologici. Questi materiali, la cui esistenza è strettamente legata alla presenza di una forte SOI, sono caratterizzati dall’interessante proprietà di avere un bulk isolante ed allo stesso tempo superfici conduttrici. La scoperta teorica degli isolanti topologici la si deve ad un lavoro nato con l’intento di studiare l’influenza dell’interazione spin-orbita sulle proprietà del grafene. Poichè questa interazione nel grafene è però intrinsecamente troppo piccola, non è mai stato possibile effettuare verifiche sperimentali. Per questa ragione, vari lavori di ricerca hanno recentemente proposto tecniche volte ad aumentare questa interazione. Sebbene alcuni di questi studi abbiano mostrato un effettivo aumento dell’interazione spin-orbita rispetto al piccolo valore intrinseco, sfortunatamente hanno anche evidenziato una consistente riduzione della qualità del grafene. L’obbiettivo che ci si pone in questa tesi è di determinare se sia possibile aumentare l’interazione spin-orbita nel grafene preservandone allo stesso tempo le qualità. La soluzione proposta in questo lavoro si basa sull’utilizzo di due materiali semiconduttori, diselenio di tungsteno WSe2 e solfuro di molibdeno MoS2, utilizzati da substrato su cui sopra verrà posizionato il grafene formando così un’eterostruttura -nota anche di “van der Waal” (vdW)-. Il motivo di questa scelta è dovuto al fatto che questi materiali, appartenenti alla famiglia dei metalli di transizione dicalcogenuri (TMDS), mostrano una struttura reticolare simile a quella del grafene, rendendoli ideali per formare eterostrutture e ancora più importante, presentano una SOI estremamente grande. Sostanzialmente l’idea è quindi di sfruttare questa grande interazione spin-orbita del substrato per indurla nel grafene aumentandone così il suo piccolo valore intrinseco.

Die Kennerschaft zelebriert ihre Krise. Beobachtungen und Überlegungen zur Ausstellung »Der Meister von Flémalle und Rogier van der Weyden«

Die Ausstellung »Der Meister von Flémalle und Rogier van der Weyden«, die derzeit im Frankfurter Städel und ab dem 22.2.2009 in der Berliner Gemäldegalerie gezeigt wird, markiert einen neuen – vielleicht für längere Zeit letzten Rekord – in der Kategorie ›Altmeisterausstellungen‹. Die Schau ist von einem Kenner der Campin/Rogier van der Weyden-Schule, Stephan Kemperdick (Berlin), zusammen mit seinem Kollegen Jochen Sander (Frankfurt a. M.) organisiert worden. In den Presseankündigungen und in den Katalogtexten wird die Ausstellung als Chance präsentiert, bestehende Divergenzen bezüglich der Zuschreibung der überlieferten Werke an die beiden Künstler und ihre Werkstätten definitiv auszuräumen. Ist diese Hoffnung berechtigt? Zweifel sind angebracht.

Die Kennerschaft zelebriert ihre Krise. Beobachtungen und Überlegungen zur Ausstellung »Der Meister von Flémalle und Rogier van der Weyden«

Die Ausstellung »Der Meister von Flémalle und Rogier van der Weyden«, die derzeit im Frankfurter Städel und ab dem 22.2.2009 in der Berliner Gemäldegalerie gezeigt wird, markiert einen neuen – vielleicht für längere Zeit letzten Rekord – in der Kategorie ›Altmeisterausstellungen‹. Die Schau ist von einem Kenner der Campin/Rogier van der Weyden-Schule, Stephan Kemperdick (Berlin), zusammen mit seinem Kollegen Jochen Sander (Frankfurt a. M.) organisiert worden. In den Presseankündigungen und in den Katalogtexten wird die Ausstellung als Chance präsentiert, bestehende Divergenzen bezüglich der Zuschreibung der überlieferten Werke an die beiden Künstler und ihre Werkstätten definitiv auszuräumen. Ist diese Hoffnung berechtigt? Zweifel sind angebracht.