N = 2 sigma models for Ramond-Ramond backgrounds

Using the U(4) hybrid formalism, manifestly N = (2,2) worldsheet supersymmetric sigma models are constructed for the type-IIB superstring in Ramond-Ramond backgrounds. The Kahler potential in these N = 2 sigma models depends on four chiral and antichiral bosonic superfields and two chiral and antichiral fermionic superfields. When the Kahler potential is quadratic, the model is a free conformal field theory which describes a flat ten-dimensional target space with Ramond-Ramond flux and non-constant dilaton. For more general Kahler potentials, the model describes curved target spaces with Ramond-Ramond flux that are not plane-wave backgrounds. Ricci-flatness of the Kahler metric implies the on-shell conditions for the background up to the usual four-loop conformal anomaly. © SISSA/ISAS 2002.

CO 2 adsorption on polar surfaces of ZnO

Physical and chemical adsorption of CO 2 on ZnO surfaces were studied by means of two different implementations of periodic density functional theory. Adsorption energies were computed and compared to values in the literature. In particular, it was found that the calculated equilibrium structure and internuclear distances are in agreement with previous work. CO 2 adsorption was analyzed by inspection of the density of states and electron localization function. Valence bands, band gap and final states of adsorbed CO 2 were investigated and the effect of atomic displacements analyzed. The partial density of states (PDOS) of chemical adsorption of CO 2 on the ZnO(0001) surface show that the p orbitals of CO 2 were mixed with the ZnO valence band state appearing at the top of the valence band and in regions of low-energy conduction band. [Figure not available: see fulltext.] © 2012 Springer-Verlag Berlin Heidelberg.

Avaliação não-destrutiva de madeiras para dormentes ferroviários

Pós-graduação em Agronomia (Energia na Agricultura) - FCA

Influência da qualidade das lâminas no desempenho físico-mecânico de painéis compensados de Hevea brasiliensis

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Desempenho físico-mecânico de painéis LVL de pinus tropicais da região de São Paulo

Pós-graduação em Agronomia (Energia na Agricultura) - FCA

Modelagem numérica da influência do eletrojato equatorial em dados magnetotelúricos produzidos por estruturas tridimensionais

A América do Sul apresenta várias peculiaridades geomagnéticas, uma delas, é a presença do Eletrojato Equatorial, o qual se estende de leste para oeste no Brasil ao longo de aproximadamente 3500 km. Considerando-se o fato de que a influência do Eletrojato Equatorial pode ser detectada a grandes distâncias do seu centro, isto suscita o interesse em se estudar os seus efeitos na exploração magnetotelúrica no Brasil. A influência do eletrojato equatorial na prospecção magnetotelúrica tem sido modelada para meios geológicos uni e bidimensionais valendo-se para isto de soluções analíticas fechadas e de técnicas numéricas tais como elementos finitos e diferenças finitas. Em relação aos meios geológicos tridimensionais, eles tem sido modelados na forma de "camadas finas", usando o algoritmo "thin sheet". As fontes indutoras utilizadas para simular o eletrojato equatorial nestes trabalhos, tem sido linhas de corrente, eletrojatos gaussianos e eletrojatos ondulantes. Por outro lado, o objetivo principal da nossa tese foi o modelamento dos efeitos que o eletrojato equatorial provoca em estruturas tridimensionais próprias da geofísica da prospecção. Com tal finalidade, utilizamos o esquema numérico da equação integral, com as fontes indutoras antes mencionadas. De maneira similar aos trabalhos anteriores, os nossos resultados mostram que a influência do eletrojato equatorial somente acontece em frequências menores que 10^-1 Hz. Este efeito decresce com a distância, mantendo-se até uns 3000 km do centro do eletrojato. Assim sendo, a presença de grandes picos nos perfis da resistividade aparente de um semi-espaço homogêneo, indica que a influência do eletrojato é notável neste tipo de meio. Estes picos se mostram com diferente magnitude para cada eletrojato simulado, sendo que a sua localização também muda de um eletrojato para outro. Entretanto, quando se utilizam modelos geo-elétricos unidimensionais mais de acordo com a realidade, tais como os meios estratificados, percebe-se que a resposta dos eletrojatos se amortece significativamente e não mostra muitas diferenças entre os diferentes tipos de eletrojato. Isto acontece por causa da dissipação da energia eletromagnética devido à presença da estratificação e de camadas condutivas. Dentro do intervalo de 3000 km, a resposta eletromagnética tridimensional pode ser deslocada para cima ou para baixo da resposta da onda plana, dependendo da localização do corpo, da frequência, do tipo de eletrojato e do meio geológico. Quando a resposta aparece deslocada para cima, existe um afastamento entre as sondagens uni e tridimensionais devidas ao eletrojato, assim como um alargamento da anomalia dos perfis que registra a presença da heterogeneidade tridimensional. Quando a resposta aparece deslocada para baixo, no entanto, há uma aproximação entre estes dois tipos de sondagens e um estreitamento da anomalia dos perfis. Por outro lado, a fase se mostra geralmente, de uma forma invertida em relação à resistividade aparente. Isto significa que quando uma sobe a outra desce, e vice-versa. Da mesma forma, comumente nas altas frequências as respostas uni e tridimensionais aparecem deslocadas, enquanto que nas baixas frequências se mostram com os mesmos valores, com exceção dos eletrojatos ondulantes com parâmetros de ondulação α = —2 e —3. Nossos resultados também mostram que características geométricas próprias das estruturas tridimensionais, tais como sua orientação em relação à direção do eletrojato e a dimensão da sua direção principal, afetam a resposta devido ao eletrojato em comparação com os resultados da onda plana. Desta forma, quando a estrutura tridimensional é rotacionada de 90°, em relação à direção do eletrojato e em torno do eixo z, existe uma troca de polarizações nas resistividades dos resultados, mas não existem mudanças nos valores da resistividade aparente no centro da estrutura. Ao redor da mesma, porém, se percebe facilmente alterações nos contornos dos mapas de resistividade aparente, ao serem comparadas com os mapas da estrutura na sua posição original. Isto se deve à persistência dos efeitos galvânicos no centro da estrutura e à presença de efeitos indutivos ao redor do corpo tridimensional. Ao alongar a direção principal da estrutura tridimensional, as sondagens magnetotelúricas vão se aproximando das sondagens das estruturas bidimensionais, principalmente na polarização XY. Mesmo assim, as respostas dos modelos testados estão muito longe de se considerar próximas das respostas de estruturas quase-bidimensionais. Porém, os efeitos do eletrojato em estruturas com direção principal alongada, são muito parecidos com aqueles presentes nas estruturas menores, considerando-se as diferenças entre as sondagens de ambos tipos de estruturas. Por outro lado, os mapas de resistividade aparente deste tipo de estrutura alongada, revelam um grande aumento nos extremos da estrutura, tanto para a onda plana como para o eletrojato. Este efeito é causado pelo acanalamento das correntes ao longo da direção principal da estrutura. O modelamento de estruturas geológicas da Bacia de Marajó confirma que os efeitos do eletrojato podem ser detetados em estruturas pequenas do tipo "horst" ou "graben", a grandes distâncias do centro do mesmo. Assim, os efeitos do eletrojato podem ser percebidos tanto nos meios estratificados como tridimensionais, em duas faixas de freqüência (nas proximidades de 10^-1 Hz e para freqüências menores que 10^-3 Hz), possivelmente influenciados pela presença do embasamento cristalino e a crosta inferior, respectivamente. Desta maneira, os resultados utilizando o eletrojato como fonte indutora, mostram que nas baixas freqüências as sondagens magnetotelúricas podem ser fortemente distorcidas, tanto pelos efeitos galvânicos da estrutura tridimensional como pela presença da influência do eletrojato. Conseqüêntemente, interpretações errôneas dos dados de campo podem ser cometidas, se não se corrigirem os efeitos do eletrojato equatorial ou, da mesma forma, não se utilisarem algoritmos tridimensionais para interpretar os dados, no lugar do usual modelo unidimensional de Tikhonov - Cagniard.

Analysis of electronic structure of boron nitride nanotubes with different positions of intrinsic impurities

The pristine boron nitride nanotubes have a large direct band gap around 5 eV. This band gap can be engineered by doping. We investigate electronic structure of the doped hexagonal boron nitride (5,5) nanotubes using the linearized augmented cylindrical wave method. In particular, this work focuses on systematical study of the band gap and the density of states around the Fermi-level when the nanotubes are doped by intrinsic impurities of two substitutional boron atoms in a super cell and a comparative analysis of the relative stability of three structures studied here. This corresponds to 3.3% of impurity concentration. We calculate 29 configurations of the nanotubes with different positions of the intrinsic impurities in the nanotube. The band gap and density of states around the Fermi level show strong dependence on the relative positions of the impurity atoms. The two defect sub bands called D^∏(B) appear in the band gap of the pristine nanotube. The doped nanotubes possess p-type semiconductor properties with the band gap of 1.3-1.9 eV.

Ensaios não-destrutivos de propagação de ondas em toras e madeira serrada de Pinus. taeda L.

In this paper it was evaluated the influence of the relative position of logs on the trees, the type of wood (juvenile and mature wood and pith) and the dimension of sawed wood elements on the velocity of propagation of stress waves into the material on condition. P. taeda L wood (43 years old trees) from Horto Florestal of Manduri (latitude 230 00’ south, longitude 400 19’ west and altitude de 700 m) São Paulo State, Brazil were used, considering its easy growth rings visualization and the better ju regions definition. Six trees were randomly chosen in the plantation. Trees were sawed into 4 logs (2,5 m long each. In each log it was delimited the central board (80mm tick) region and the lateral boards (25mm tick) regions, cons right hand. It were evaluated relation between velocity of stress waves on logs and the correspondent lumber (central and lateral boards), on green condition, on the three main region of the elements (mature wood results obtained revealed the concordance between velocities of stress waves in the material before and after the its mechanical processing. It was also revealed statistical differences between the velocity of stress waves at juvenile wood, mature wood and pith regions. Keywords: stress wave method, velocity 17 destrutivos de propagação da propagação de ondas de tensão em toras e madeira serrada de taeda L. Hernando Alfonso Lara Palma - Universidade Estadual Paulista Faculdade de Ciências Agronômicas – FCA/UNESP – Botucatu - SP, e-mail: awballarin@fca.unesp.br Luiz Antonio Vasques Hellmeister - Universidade Estadual Paulista - Faculdade de Arquitetura, FAAC/UNESP – Bauru - SP, e-mail: hellmeister@faac.unesp.br Este trabalho teve como objetivo analisar a influência do tipo de lenho, da posição da tora ao longo do fuste e das dimensões das peças desdobradas, na velocidade de as de tensão (Stress wave method), na condição de madeira verde. P. taeda L., originária de árvores de plantio do Horto Florestal de SP., com idade aproximada de 43 anos, pela facilidade de identificação dos anéis imento e demarcação das regiões de madeira adulta e madeira juvenil. Foram amostradas 6 árvores distintas, escolhidas ao acaso do talhão selecionado. De cada árvore foram retiradas 4 toras com comprimento de 2,5 m cada. Foram demarcadas nas toras a ha central (8 cm de espessura) e 4 tábuas laterais (espessura comercial de 2,5 cm), sendo duas à esquerda e duas à direita da prancha central. Foram avaliadas as relações existentes entre as velocidades de propagação das ondas de tensão na madeira íntegra (toras) e desdobrada (pranchas e tábuas), na condição de madeira verde, nas três regiões distintas do lenho: medula, madeira adulta e madeira juvenil. A análise comparativa dos resultados revelou a concordância entre as velocidades antes e após o desdobr madeira. Houve diferenciação estatisticamente significativa entre as velocidades de propagação das ondas de tensão nos lenhos adulto, juvenil e na medula. -destrutivos, método das ondas de tensão, Pinus taeda stress wave tests on green logs and lumber of Pinus taeda In this paper it was evaluated the influence of the relative position of logs on the trees, the type of wood (juvenile and mature wood and pith) and the dimension of sawed wood elements on the velocity of propagation of stress waves into the material on L wood (43 years old trees) from Horto Florestal of Manduri (latitude 19’ west and altitude de 700 m) São Paulo State, Brazil were used, considering its easy growth rings visualization and the better juvenile and mature wood regions definition. Six trees were randomly chosen in the plantation. Trees were sawed into 4 logs (2,5 m long each. In each log it was delimited the central board (80mm tick) region and the lateral boards (25mm tick) regions, considering 2 boards on the left and 2 at the right hand. It were evaluated relation between velocity of stress waves on logs and the correspondent lumber (central and lateral boards), on green condition, on the three main region of the elements (mature wood, juvenile wood and pith). Comparative analyses of results obtained revealed the concordance between velocities of stress waves in the material before and after the its mechanical processing. It was also revealed statistical differences ty of stress waves at juvenile wood, mature wood and pith regions

Localizador de faltas por ondas viajantes em linhas de transmissão

It is important to ensure smoothly operation of a transmission line, sending energy to the consumption centers with minimal interruptions and safer. With this necessity, the fault location techniques have grown, in order to mitigate the impact of the fault and its correction can be more quickly and accurately. This paper presents a comparison between two different techniques of fault location, the fault location by impedance method, which uses the line parameters, the impedance per distance, voltage and current signals, and the other is the traveling wave method, which uses only a very fast analysis of time, synchronization and length between the line ends, do not using voltage and current values, but the temporal perception of the fault. Using travelling waves fault detection makes the previous knowledge of line parameters obsolete, which helps a lot network technicians and engineers with a quick and easy analysis. The methods are simulated in ATP Draw software, so both algorithms can be evaluated for their effectively and accuracy

Localizador de faltas por ondas viajantes em linhas de transmissão

It is important to ensure smoothly operation of a transmission line, sending energy to the consumption centers with minimal interruptions and safer. With this necessity, the fault location techniques have grown, in order to mitigate the impact of the fault and its correction can be more quickly and accurately. This paper presents a comparison between two different techniques of fault location, the fault location by impedance method, which uses the line parameters, the impedance per distance, voltage and current signals, and the other is the traveling wave method, which uses only a very fast analysis of time, synchronization and length between the line ends, do not using voltage and current values, but the temporal perception of the fault. Using travelling waves fault detection makes the previous knowledge of line parameters obsolete, which helps a lot network technicians and engineers with a quick and easy analysis. The methods are simulated in ATP Draw software, so both algorithms can be evaluated for their effectively and accuracy

Hybrid density functional study of small Rh-n (n=2-15) clusters

The physical properties of small rhodium clusters, Rh-n, have been in debate due to the shortcomings of density functional theory (DFT). To help in the solution of those problems, we obtained a set of putative lowest energy structures for small Rh-n (n = 2-15) clusters employing hybrid-DFT and the generalized gradient approximation (GGA). For n = 2-6, both hybrid and GGA functionals yield similar ground-state structures (compact), however, hybrid favors compact structures for n = 7-15, while GGA favors open structures based on simple cubic motifs. Thus, experimental results are crucial to indicate the correct ground-state structures, however, we found that a unique set of structures (compact or open) is unable to explain all available experimental data. For example, the GGA structures (open) yield total magnetic moments in excellent agreement with experimental data, while hybrid structures (compact) have larger magnetic moments compared with experiments due to the increased localization of the 4d states. Thus, we would conclude that GGA provides a better description of the Rh-n clusters, however, a recent experimental-theoretical study [ Harding et al., J. Chem. Phys. 133, 214304 (2010)] found that only compact structures are able to explain experimental vibrational data, while open structures cannot. Therefore, it indicates that the study of Rh-n clusters is a challenging problem and further experimental studies are required to help in the solution of this conundrum, as well as a better description of the exchange and correlation effects on the Rh n clusters using theoretical methods such as the quantum Monte Carlo method.

Quantum Monte Carlo study of small aluminum clusters Al-n (n=2-13)

Using fixed node diffusion quantum Monte Carlo (FN-DMC) simulations and density functional theory (DFT) within the generalized gradient approximations, we calculate the total energies of the relaxed and unrelaxed neutral, cationic, and anionic aluminum clusters, Al-n (n = 1-13). From the obtained total energies, we extract the ionization potential and electron detachment energy and compare with previous theoretical and experimental results. Our results for the electronic properties from both the FN-DMC and DFT calculations are in reasonably good agreement with the available experimental data. A comparison between the FN-DMC and DFT results reveals that their differences are a few tenths of electron volt for both the ionization potential and the electron detachment energy. We also observe two distinct behaviors in the electron correlation contribution to the total energies from smaller to larger clusters, which could be assigned to the structural transition of the clusters from planar to three-dimensional occurring at n = 4 to 5.

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.

Adsorption of NO on the Rh-13, Pd-13, Ir-13, and Pt-13 Clusters: A Density Functional Theory Investigation

The adsorption of NO on transition-metal (TM) surfaces has been widely studied by experimental and theoretical techniques; however, our atomistic understanding of the interaction of nitrogen monoxide (NO) with small TM clusters is far from satisfactory, which compromises a deep understanding of real catalyst devices. In this study, we report a density functional theory study of the adsorption properties of NO on the TM13 (TM = Rh, Pd, Ir, Pt) clusters employing the projected augmented wave method. We found that the interaction of NO with TM13 is much more complex than that for NO/TM(111). In particular, for low symmetry TM13 clusters, there is a strong rearrangement of the electronic charge density upon NO adsorption and, as a consequence, the adsorption energy shows a very complex dependence even for adsorption sites with the same local effective coordination. We found a strong enhancement of the binding energy of NO to the TM13 clusters compared with the TM(111) surfaces, as the antibonding NO states are not occupied for NO/TM13, and the general relationship based on the d-band model between adsorption energy and the center of gravity of the occupied d-states does not hold for the studied TM13 clusters, in particular, for clusters with low symmetry. In contrast with the adsorption energy trends, the geometric NO/TM13 parameters and the vibrational N-O frequencies for different coordination sites follow the same trend as for the respective TM(111) surfaces, while the changes in the frequencies between different surfaces and TM13 clusters reflect the strong NO-TM13 interaction.