The role of carbon impurities on the Si(001)-c(4 x 4) surface reconstruction: Theoretical calculations

In this work we employ the state-of-the-art pseudopotential method, within a generalized gradient approximation to the density functional theory, combined with a recently developed method for the calculation of HREELS spectra to study a series of different proposed models for carbon incorporation on the silicon (001) surface. A fully discussion on the geometry, energetics and specially the comparison between experimental and theoretical STM images and electron energy loss spectra indicate that the Si(100)-c(4 x 4) is probably induced by Si-C surface dinners, in agreement with recent experimental findings. (C) 2009 Elsevier B.V. All rights reserved.

Effect of Different Solvent Ratios (Water/Ethylene Glycol) on the Growth Process of CaMoO(4) Crystals and Their Optical Properties

In this paper, calcium molybdate (CaMoO(4)) crystals (meso- and nanoscale) were synthesized by the coprecipitation method using different solvent volume ratios (water/ethylene glycol). Subsequently, the obtained suspensions were processed in microwave-assisted hydrothermal/solvothermal systems at 140 degrees C for 1 h. These meso- and nanocrystals processed were characterized by X-ray diffraction (X R I)), Fourier transform Raman (FT-Raman), Fourier transform infrared (FT-IR). ultraviolet visible (UV-vis) absorption spectroscopies, held-emission gun scanning electron microscopy (FEG-SEM). transmission electron microscopy (TEM). and photoluminescence (PL) measurements. X RI) patterns and FT-Raman spectra showed that these meso- and nanocrystals have a scheelite-type tetragonal structure without the presence of deleterious phases. FT-IR spectra exhibited a large absorption band situated at around 827 cm(-1), which is associated with the Mo-O anti-symmetric stretching vibrations into the [MoO(4)] clusters. FEG-SEM micrographs indicated that the ethylene glycol concentration in the aqueous solution plays an important role in the morphological evolution of CaMoO(4) crystals. High-resolution TEM micrographs demonstrated that the mesocrystals consist of several aggregated nanoparticles with electron diffraction patterns of monocrystal. In addition, the differences observed in the selected area electron diffraction patterns of CaMoO(4) crystals proved the coexistence of both nano- and mesostructures, First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level were employed in order to understand the band structure find density of states For the CaMoO(4). UV-vis absorption measurements evidenced a variation in optical band gap values (from 3.42 to 3.72 cV) for the distinct morphologies. The blue and green PI. emissions observed in these crystals were ascribed to the intermediary energy levels arising from the distortions on the [MoO(4)] clusters clue to intrinsic defects in the lattice of anisotropic/isotropic crystals.

Spectroscopic and theoretical studies of some N,N-diethyl-2-[(4 `-substituted)phenylsulfonyl]acetamides

The analysis of the IR carbonyl band of the N,N-diethyl-2-[(4`-substituted)phenylsulfonyl]acetamides Et(2)NC(O)CH(2)S(O)(2)-C(6)H(4)-Y (Y = OMe 1, Me 2,1-13, Cl 4, Br 5, NO(2) 6) supported by B3LYP/6-31G(d,p) calculations for 3, indicated the existence of three pairs (anti and syn) of cis (c) and gauche (g(1) and g(2)) conformers in the gas phase, being the gauche conformers significantly more stable than the cis ones. The anti geometry is more stable than the syn one, for each pair of cis and gauche conformers. The summing up of the orbital (NBO analysis) and electrostatic interactions justifies quite well the populations and the v(CO) frequencies of the anti and syn pairs of c, g(1) and g(2) conformers. The IR higher carbonyl frequency component whose population is ca. 10%, in CCl(4), may be ascribed to the least stable and most polar cis conformer pair (in the gas phase) and the lower frequency component whose population is ca. 90%, to the summing up of the populations of the two most stable and least polar gauche conformer pairs (g(1) and g(2)) (in the gas phase). The reversal of the cis(c)/gauche (g(1) + g(2)) population ratio observed in chloroform ca. 60% (cis)/40% (gauche) and the occurrence of the most polar cis(c) conformer only, in acetonitrile, strongly suggests the coalescence of the two gauche components in a unique carbonyl band in solution. A further support to this rationalization is given by the single point PCM solvation model performed by HF/6-31G(d,p) method, which showed a progressive increase of the c/(g(1) + g(2)) ratio going from gas to CCl(4), to CHCl(3) and to CH(3)CN. X-ray single crystal analysis of 4 indicates that this compound assumes, in the solid state, the syn-clinal (gauche) conformation with respect to the [O=C-CH(2)-S] moiety, and the most stable anti geometry relative to the [C(O)N(CH(2)CH(3))(2)] fragment. In order to obtain larger energy gain from the crystal packing the molecules of 4 are linked in centrosymmetric dimers through two C-H center dot center dot center dot O interactions (C-H([O-Ph])center dot center dot center dot O([SO2])) forming a step ladder. (C) 2011 Elsevier B.V. All rights reserved.

Should we be afraid of managed care?: a theoretical assessment

Managed caIe capitation contracts provide monetary incentives for doctoIs to save medical costs while standard health insurance contracts do noto The papeI proposes an alternative model for insurance markets which is used to analyze managed caIe contracts. In our model, households would like to buy insurance for the possible need of a service. The distinctive aspect of our model is that providers of service have privileged information on the most appropriate procedure to be followed. In the managed care application of the model, doctors are the providers of the service and through a diagnosis have better information of the patient's health condition. Equilibrium in our model is always constrained eflicient. A partial capitation contract arises when both the cost and net benefits of treatment are high enough. We show that a capitation contract provides incentives for doctors: i) to care about the likelihood households will obtain the good state of nature (altruistic behamor); and ii) to save medical costs (managed care behamor). Doctors, in this case, choose less medically eflicient treatments as they would choose under a standard health insurance contract. Besides this, household' welfare is increased in comparison to the standard contract. This increased welfare translates into a revealed preference for the capitation contract.

Using a panel structure to discuss the Feldstein-Horioka puzzle in developing countries

The purpose of this paper is to test the implications of current account solvency for the savinginvestment correlation in developing countries. Since solvency is a long-run phenomenon, and given that the power of the standard unit root and cointegration tests is low, we exploit the panel structure of the sample of 29 developing countries. We find evidence that saving and investment are cointegrated and that the current account is stationary. Therefore, the Feldstein-Horioka correlations are not a puzzle in the sense they reflect the intertemporal budget constraint. The same results are obtained for different subsamples (Africa, Asia, and Latin America) and for different periods of time (1960-74 and 1975-96). We, then, suggest that an error correction model should distinguish between the long-run correlation, which reflects the solvency condition, and the short-run correlation, which could measure capital mobility.

Aspectos da biologia reprodutiva de Eretmochelys imbricata (testudines, cheloniidae) no litoral sul do Rio Grande do Norte, Brasil

Female hawksbill turtles (Eretmochelys imbricata) nesting along the southeastcoastline of Rio Grande do Norte State, Brazil (6º13'40"S, 35º03'05"W) were captured and weighed during the four months from January to April 2007, in the course of the annual egglaying season, which extended from 06 rd November 2006 to 30 rd May 2007. In all, 99 weight measurements were performed. On first contact the females exhibited an average post-oviposition weight of 79.1 kg (range 56.2-98.9 kg, SD = 10.9 kg, n = 44 females). Those individuals which were subsequently recaptured showed a mean weight loss of 1.7 kg (range 0.7-4.5 kg, SD = 1.0 kg, n = 39 sets of measurements on 20 females) in the interval between two consecutive post-ovipositions, separated by a maximum time interval of 17 days. In the cases where the female aborted the nesting process, the pre-oviposition weight was measured. The clutch weight, that is to say, the weight loss between consecutive pre-oviposition and post-oviposition measurements (separated by a maximum time interval of 3 days), was found to be 5.2 kg (range 4.3-6.0 kg, SD = 0.9 kg, n = 6 sets of measurements). This value is significantly higher (t-test, p<0.001) than the loss between two consecutive post-oviposition measurements with the same female. The mean recovery in body weight, that is to say, the average gain in weight between successive post-oviposition and pre-oviposition captures of the same individual (separated by a time interval of 12 to 17 days), was found to be 3.0 kg (range 1.9-4.3 kg, SD = 1.0 kg, n = 4 sets of measurements) Although the small sample size makes it unwise to generalise, the recovery in body weight was found to be always significantly lower (t-test, p<0.005) than the clutch weight. This fact is in agreement with the observed weight loss tendency throughout the breeding season for this species. Considering the clutch weight and the internidal recovery in body weight we found that the total weight loss of the adult hawksbill females after three to five nesting events varied from 10.4% (range 8.7-11.9%, SD = 1.6%, n = 3) to 14.1% (range 11.8-15.4%, SD = 1.3%, n = 6) in relation to their initial pre-oviposition weight. If there were no body weight recovery during the internesting interval we estimate that a female that nests three to five times in the course of the season would lose from 19% to 31% of its initial weight. We emphasise that our clutch weight estimate was performed by weighing the females and not by multiplying the number of eggs in the nest by their average unit weight. In this way, our measurements take into account the loss of liquid during the oviposition. Despite the unequivocal evidence of body weight recovery during the internidal interval, it is not clear if the cause of this process is rehydration or feeding

Predicao de campo em comunicacao sem fio

Even living in the XXI century are still some difficulties in access to broadband Internet in several Brazilian cities, due to the purchasing power of people and lack of government investment. But even with these difficulties, we seek to encourage the use of wireless technology, which is based on the IEEE 802.11b protocol - also known as Wi-Fi (Wireless Fidelity) Wireless Fidelity Communications, having wide range of commercial applications in the world market, nationally and internationally. In Brazil, this technology is in full operation in major cities and has proved attractive in relation to the access point to multipoint and point-to-point. This paper is a comparative analysis of prediction field, using models based on the prediction of propagation loss. To validate the techniques used here, the Okumura-Hata models, modified Okumura-Hata, Walfisch-Ikegami model, were applied to a wireless computer network, located in the neighborhood of Cajupiranga in the city of Melbourn, in Rio Grande do Norte . They are used for networking wireless 802.11b, using the Mobile Radio to measure signal levels, beyond the heights of the antennas and distances from the transmitter. The performance data versus distance are added to the graphs generated and compared with results obtained through calculations of propagation models

Uma arquitetura para detecção online de transientes em sinais de eletrocardiograma sobre o protocolo IEEE 802.3 com PM-AH

The occurrence of transients in electrocardiogram (ECG) signals indicates an electrical phenomenon outside the heart. Thus, the identification of transients has been the most-used methodology in medical analysis since the invention of the electrocardiograph (device responsible for benchmarking of electrocardiogram signals). There are few papers related to this subject, which compels the creation of an architecture to do the pre-processing of this signal in order to identify transients. This paper proposes a method based on the signal energy of the Hilbert transform of electrocardiogram, being an alternative to methods based on morphology of the signal. This information will determine the creation of frames of the MP-HA protocol responsible for transmitting the ECG signals through an IEEE 802.3 network to a computing device. That, in turn, may perform a process to automatically sort the signal, or to present it to a doctor so that he can do the sorting manually

Thermal analysis of an enriched flame incinerator for aqueous residues

The use of oxygen to enrich the combustion air can be an attractive technique to increase capacity of an incinerator originally designed to operate with air, If incinerator parameters such as operation temperature, turbulence level and residence time are fixed for a certain fuel supply rate, it is possible to increase the residue consumption rate using enriched air. This paper presents the thermal analysis for operation with enriched air of an aqueous residue experimental incinerator. The auxiliary fuel was diesel oil. The theoretical results showed that there is a considerable increase in the incineration ratio up to approximately 50% of O-2 in the oxidiser. The tendency was confirmed experimentally. Thermal analysis was demonstrated to be an important tool to predict possible incinerator capacity increase. (C) 2005 Published by Elsevier Ltd.

Anomaly mediated supersymmetry breaking without R-parity

We analyze the low energy features of a supersymmetric standard model where the anomaly-induced contributions to the soft parameters are dominant in a scenario with bilinear R-parity violation. This class of models leads to mixings between the standard model particles and supersymmetric ones which chance the low energy phenomenology and searches for supersymmetry. In addition, R-parity violation interactions give rise to small neutrino masses which we show to be consistent with the present observations. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Fast-forward/fast-backward substitutions on vector computers

This paper deals with approaches for sparse matrix substitutions using vector processing. Many publications have used the W-matrix method to solve the forward/backward substitutions on vector computer. Recently a different approach has been presented using dependency-based substitution algorithm (DBSA). In this paper the focus is on new algorithms able to explore the sparsity of the vectors. The efficiency is tested using linear systems from power systems with 118, 320, 725 and 1729 buses. The tests were performed on a CRAY Y MP2E/232. The speedups for a fast-forward/fast-backward using a 1729-bus system are near 19 and 14 for real and complex arithmetic operations, respectively. When forward/backward is employed the speedups are about 8 and 6 to perform the same simulations.

AIGA: um ambiente integrado de gerência para redes em malha sem fio IEEE 802.11s

A Wireless Mesh Network (WMN - Wireless Mesh Network) IEEE 802.11s standard to become operational it is necessary to configure the parameters that meet the demands of its users, as regards, for example, the frequency channels, the power antennas, IPs addresses, meshID, topology, among others. This configuration can be done via a CLI (Command - Line Interface) or a remote interface provided by the equipment manufacturer, both are not standardized and homogeneous, like black boxes for the developers, a factor that hinders its operation and standardization. The WMN, as a new standard, is still in the testing phase, and tests are necessary to evaluate the performance of Path Discovery Protocol, as in this case of HWMP (Hybrid Wireless Mesh Protocol), which still has many shortcomings. The configuration and test creation in a WMN are not trivial and require a large workload. For these reasons this work presents the AIGA, a Management Integrated Environment for WMN IEEE 802.11s, which aims to manage and perform testbeds for analyzes of new Path Discovery Protocols in a WMN

Extensões ao Projeto LVWNet: mobilidade, interação com equipamentos reais, comunicação direta, e registro dinâmico de nós

Due to the constantly increasing use of wireless networks in domestic, business and industrial environments, new challenges have emerged. The prototyping of new protocols in these environments is typically restricted to simulation environments, where there is the need of double implementation, one in the simulation environment where an initial proof of concept is performed and the other one in a real environment. Also, if real environments are used, it is not trivial to create a testbed for high density wireless networks given the need to use various real equipment as well as attenuators and power reducers to try to reduce the physical space required to create these laboratories. In this context, LVWNet (Linux Virtual Wireless Network) project was originally designed to create completely virtual testbeds for IEEE 802.11 networks on the Linux operating system. This paper aims to extend the current project LVWNet, adding to it the features like the ability to interact with real wireless hardware, provides a initial mobility ability using the positioning of the nodes in a space coordinates environment based on meters, with loss calculations due to attenuation in free space, enables some scalability increase by creating an own protocol that allows the communication between nodes without an intermediate host and dynamic registration of nodes, allowing new nodes to be inserted into in already in operation network

Utilização da relação potência-tempo até exaustão em testes de caminhada para avaliação da aptidão aeróbia

O objetivo do presente estudo foi avaliar a aptidão aeróbia em testes de caminhada com carga externa aplicada por meio da inclinação da esteira, a partir da relação não linear entre inclinação da esteira e tempo até a exaustão em velocidade fixa. Doze indivíduos do gênero masculino com 23,2 ± 2,7 anos de idade, 74,0 ± 7,9kg de massa corporal e 23,7 ± 2,5kg·(m²)-1 de IMC, realizaram duas etapas de testes de caminhada em esteira ergométrica com velocidade fixa de 5,5km·h-1 em todos os testes e sobrecarga de intensidade aplicada por meio de inclinação da esteira (%). A etapa 1 consistiu de três testes retangulares até a exaustão voluntária, nas intensidades de 18%, 20% e 22% de inclinação, para determinação dos parâmetros do modelo de potência crítica por dois modelos lineares e um hiperbólico. A etapa 2 consistiu na determinação da intensidade correspondente ao máximo estado estável de lactato sanguíneo (MEEL). ANOVA demonstrou que o modelo hiperbólico (15,4 ± 1,1%) resultou em estimativa significativamente menor que os outros dois modelos lineares inclinação-tempo-1 (16,0 ± 1,0%) e hiperbólico linearizado tempo-1-inclinação (15,9 ± 1,0%), porém, houve alta correlação entre os modelos. Os dois modelos lineares superestimaram a intensidade do MEEL (14,1 ± 1,4%), e o modelo hiperbólico, mesmo sem diferença estatística, apresentou fraca correlação, com baixa concordância em relação ao MEEL. Conclui-se que a relação inclinação-tempo até a exaustão, em testes de caminhada, não permitem a estimativa de intensidade de exercício suportável por longo período de tempo.

STABLE PIECEWISE POLYNOMIAL VECTOR FIELDS

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