Organic material decomposition and nutrient dynamics in a mulch system enriched with leguminous trees in the Amazon

As novas técnicas propostas para a agricultura na Amazônia incluem sistema de rotação de capoeira enriquecido com árvores leguminosas e transformando a queima da biomassa em cobertura morta sobre o solo. A decomposição e a liberação de nutrientes da cobertura morta foram estudadas usando sacos de liteira com malha fina que continham cinco tratamentos com diferentes espécies de leguminosas em comparação a um tratamento-controle com vegetação natural. As amostras para cada tratamento foram analisadas para conteúdos de C total, N, P, K, Ca, Mg, lignina, celulose e polifenóis solúveis em diferentes tempos de amostragem durante um ano. A razão constante de decomposição variou com a espécie e com o tempo. A perda de massa nos sacos de decomposição foi de 30,1 % para Acacia angustissima, de 32,7 % para Sclerolobium paniculatum, de 33,9 % para Inga edulis e para a vegetação secundária, de 45,2 % para Acacia mangium e de 63,6 % para Clitoria racemosa. Foi observada imobilização de N e P em todos os tratamentos, sendo a mineralização do N negativamente correlacionada com o fenol, razão C/N, razão (lignina + fenol)/N, razão fenol/P e o conteúdo de N nos sacos de liteira. Depois de 362 dias de incubação no campo, 3,3 % de K, 32,2 % de Ca e 22,4 % de Mg permaneceram no material em decomposição. Os resultados evidenciaram que a baixa qualidade mineral e a alta quantidade de carbono orgânico e aplicado como cobertura morta podem limitar a quantidade de energia disponível para os microrganismos resultando em uma competição por nutrientes com as plantas agrícolas.

Daily morphological changes determined by high-energy events on an embayed beach: a qualitative model

This paper examines the daily morphological responses of Sununga Beach, an embayed beach located on the south-eastern Brazilian coast, to storms in the South Atlantic Ocean. The main mechanisms and timing of beach erosion and accretion, the relationship between wave height and direction, and beach volume changes are considered, to establish a qualitative model for short-term embayed beach morphological changes. The methodology consisted of daily topographic surveys during the month of May in 2001, 2002, and 2003, using an RTK-GPS (real-time kinematics global positioning system). Weather and wave model results were used to correlate hydrodynamics and beach morphology. The results indicate that the morphodynamics of Sununga Beach are characterized by a process of beach rotation, which occurred more or less clearly during all three surveys. Unlike what has been commonly described in the literature for longer time intervals and alternations of fair and stormy weather, the beach rotation processes on Sununga Beach occurred under conditions of moderate-to-high wave energy change (wave heights greater than 2 m). An integrated evaluation of the behaviour of the meteorological aspects, together with beach morphology, enabled us to recognize that extra-tropical cyclones were the most important agent in remobilizing the beach planform, whether in beach rotation or in cross-shore erosion. Copyright (C) 2010 John Wiley & Sons, Ltd.

Dynamics of doublon-holon pairs in Hubbard two-leg ladders

The dynamics of holon-doublon pairs is studied in Hubbard two-leg ladders using the time-dependent density matrix renormalization group method. We find that the geometry of the two-leg ladder, which is qualitatively different from a one-dimensional chain due to the presence of a spin gap, strongly affects the propagation of a doublon-holon pair. Two distinct regimes are identified. For weak interleg coupling, the results are qualitatively similar to the case of the propagation previously reported in Hubbard chains, with only a renormalization of parameters. More interesting is the case of strong interleg coupling where substantial differences arise, particularly regarding the double occupancy and properties of the excitations such as the doublon speed. Our results suggest a connection between the presence of a spin gap and qualitative changes in the doublon speed, indicating a weak coupling between the doublon and the magnetic excitations.

Equation of Motion Governing the Dynamics of Vertically Collapsing Buildings

The present paper aims at contributing to a discussion, opened by several authors, on the proper equation of motion that governs the vertical collapse of buildings. The most striking and tragic example is that of the World Trade Center Twin Towers, in New York City, about 10 years ago. This is a very complex problem and, besides dynamics, the analysis involves several areas of knowledge in mechanics, such as structural engineering, materials sciences, and thermodynamics, among others. Therefore, the goal of this work is far from claiming to deal with the problem in its completeness, leaving aside discussions about the modeling of the resistive load to collapse, for example. However, the following analysis, restricted to the study of motion, shows that the problem in question holds great similarity to the classic falling-chain problem, very much addressed in a number of different versions as the pioneering one, by von Buquoy or the one by Cayley. Following previous works, a simple single-degree-of-freedom model was readdressed and conceptually discussed. The form of Lagrange's equation, which leads to a proper equation of motion for the collapsing building, is a general and extended dissipative form, which is proper for systems with mass varying explicitly with position. The additional dissipative generalized force term, which was present in the extended form of the Lagrange equation, was shown to be derivable from a Rayleigh-like energy function. DOI: 10.1061/(ASCE)EM.1943-7889.0000453. (C) 2012 American Society of Civil Engineers.

Alfven eigenmode properties and dynamics in the TJ-II stellarator

Alfven eigenmodes (AEs) were studied in neutral beam injection (NBI) heated plasmas in the TJ-II stellarator using a heavy ion beam probe (HIBP) in the core, and by Langmuir (LP) and Mirnov probes (MP) at the edge. AEs were detected over the whole plasma radius by the HIBP with a spatial resolution of about 1 cm. AE-induced oscillations were detected in the plasma density n(e), electric potential phi and poloidal magnetic field B-pol with frequencies 50 kHz < f(AE) < 300 kHz. The LP, MP and HIBP data showed a high level of coherency for specific branches of AEs. Poloidal mode wave-vectors k(theta), mode numbers m (m < 8) and propagation velocities V-theta similar to 30 km s(-1) were detected for various branches of AEs, having different radial locations. When the density rose due to NBI fuelling, the AE frequency decreased as predicted by the Alfven law f(AE) similar to n(e)(-1/2). During the AE frequency decay the following new AE features were observed: (i) the poloidal wave-vector k(theta) and mode number m remained constant, (ii) the cross-phases between the oscillations in B-pol, n(e) and electric potential remained constant, having an individual value for each AE branch, (iii) V-theta decreased proportional to the AE frequency. The interaction of the AEs with the bulk (thermal) plasma resulted in clearly pronounced quasi-coherent peaks in the electrostatic turbulent particle flux spectra. Various AE branches exhibited different contributions to the particle flux: outward, inward and also zero, depending on the phase relations between the oscillations in E-pol and n(e), which are specific for each branch. A comparison with MHD mode modelling indicated that some of the more prominent frequency branches can be identified as radially extended helical AEs.

Charge dynamics in half-filled Hubbard chains with finite on-site interaction

We study the charge dynamic structure factor of the one-dimensional Hubbard model with finite on-site repulsion U at half-filling. Numerical results from the time-dependent density matrix renormalization group are analyzed by comparison with the exact spectrum of the model. The evolution of the line shape as a function of U is explained in terms of a relative transfer of spectral weight between the two-holon continuum that dominates in the limit U -> infinity and a subset of the two-holon-two-spinon continuum that reconstructs the electron-hole continuum in the limit U -> 0. Power-law singularities along boundary lines of the spectrum are described by effective impurity models that are explicitly invariant under spin and eta-spin SU(2) rotations. The Mott-Hubbard metal-insulator transition is reflected in a discontinuous change of the exponents of edge singularities at U = 0. The sharp feature observed in the spectrum for momenta near the zone boundary is attributed to a van Hove singularity that persists as a consequence of integrability.

Decay of energy and suppression of Fermi acceleration in a dissipative driven stadium-like billiard

The behavior of the average energy for an ensemble of non-interacting particles is studied using scaling arguments in a dissipative time-dependent stadium-like billiard. The dynamics of the system is described by a four dimensional nonlinear mapping. The dissipation is introduced via inelastic collisions between the particles and the moving boundary. For different combinations of initial velocities and damping coefficients, the long time dynamics of the particles leads them to reach different states of final energy and to visit different attractors, which change as the dissipation is varied. The decay of the average energy of the particles, which is observed for a large range of restitution coefficients and different initial velocities, is described using scaling arguments. Since this system exhibits unlimited energy growth in the absence of dissipation, our results for the dissipative case give support to the principle that Fermi acceleration seems not to be a robust phenomenon. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3699465]

Holographic field theory models of dark energy in interaction with dark matter

We discuss two Lagrangian interacting dark energy models in the context of the holographic principle. The potentials of the interacting fields are constructed. The models are compared with CMB distance information, baryonic acoustic oscillations, lookback time and the Constitution supernovae sample. For both models, the results are consistent with a nonvanishing interaction in the dark sector of the Universe and the sign of coupling is consistent with dark energy decaying into dark matter, alleviating the coincidence problem-with more than 3 standard deviations of confidence for one of them. However, this is because the noninteracting holographic dark energy model is a bad fit to the combination of data sets used in this work as compared to the cosmological constant with cold dark matter model, so that one needs to introduce the interaction in order to improve this model.

A MODIS-Based Energy Balance to Estimate Evapotranspiration for Clear-Sky Days in Brazilian Tropical Savannas

Evapotranspiration (ET) plays an important role in global climate dynamics and in primary production of terrestrial ecosystems; it represents the mass and energy transfer from the land to atmosphere. Limitations to measuring ET at large scales using ground-based methods have motivated the development of satellite remote sensing techniques. The purpose of this work is to evaluate the accuracy of the SEBAL algorithm for estimating surface turbulent heat fluxes at regional scale, using 28 images from MODIS. SEBAL estimates are compared with eddy-covariance (EC) measurements and results from the hydrological model MGB-IPH. SEBAL instantaneous estimates of latent heat flux (LE) yielded r(2) = 0.64 and r(2) = 0.62 over sugarcane croplands and savannas when compared against in situ EC estimates. At the same sites, daily aggregated estimates of LE were r(2) = 0.76 and r(2) = 0.66, respectively. Energy balance closure showed that turbulent fluxes over sugarcane croplands were underestimated by 7% and 9% over savannas. Average daily ET from SEBAL is in close agreement with estimates from the hydrological model for an overlay of 38,100 km(2) (r(2) = 0.88). Inputs to which the algorithm is most sensitive are vegetation index (NDVI), gradient of temperature (dT) to compute sensible heat flux (H) and net radiation (Re). It was verified that SEBAL has a tendency to overestimate results both at local and regional scales probably because of low sensitivity to soil moisture and water stress. Nevertheless the results confirm the potential of the SEBAL algorithm, when used with MODIS images for estimating instantaneous LE and daily ET from large areas.

Generalized Metropolis dynamics with a generalized master equation: An approach for time-independent and time-dependent Monte Carlo simulations of generalized spin systems

The extension of Boltzmann-Gibbs thermostatistics, proposed by Tsallis, introduces an additional parameter q to the inverse temperature beta. Here, we show that a previously introduced generalized Metropolis dynamics to evolve spin models is not local and does not obey the detailed energy balance. In this dynamics, locality is only retrieved for q = 1, which corresponds to the standard Metropolis algorithm. Nonlocality implies very time-consuming computer calculations, since the energy of the whole system must be reevaluated when a single spin is flipped. To circumvent this costly calculation, we propose a generalized master equation, which gives rise to a local generalized Metropolis dynamics that obeys the detailed energy balance. To compare the different critical values obtained with other generalized dynamics, we perform Monte Carlo simulations in equilibrium for the Ising model. By using short-time nonequilibrium numerical simulations, we also calculate for this model the critical temperature and the static and dynamical critical exponents as functions of q. Even for q not equal 1, we show that suitable time-evolving power laws can be found for each initial condition. Our numerical experiments corroborate the literature results when we use nonlocal dynamics, showing that short-time parameter determination works also in this case. However, the dynamics governed by the new master equation leads to different results for critical temperatures and also the critical exponents affecting universality classes. We further propose a simple algorithm to optimize modeling the time evolution with a power law, considering in a log-log plot two successive refinements.

Electronic Properties of Water in Liquid Environment. A Sequential QM/MM Study Using the Free Energy Gradient Method

There is a continuous search for theoretical methods that are able to describe the effects of the liquid environment on molecular systems. Different methods emphasize different aspects, and the treatment of both the local and bulk properties is still a great challenge. In this work, the electronic properties of a water molecule in liquid environment is studied by performing a relaxation of the geometry and electronic distribution using the free energy gradient method. This is made using a series of steps in each of which we run a purely molecular mechanical (MM) Monte Carlo Metropolis simulation of liquid water and subsequently perform a quantum mechanical/molecular mechanical (QM/MM) calculation of the ensemble averages of the charge distribution, atomic forces, and second derivatives. The MP2/aug-cc-pV5Z level is used to describe the electronic properties of the QM water. B3LYP with specially designed basis functions are used for the magnetic properties. Very good agreement is found for the local properties of water, such as geometry, vibrational frequencies, dipole moment, dipole polarizability, chemical shift, and spin-spin coupling constants. The very good performance of the free energy method combined with a QM/MM approach along with the possible limitations are briefly discussed.

OSCILLATORY DYNAMICS IN SYSTEMS CONTAINING BROMATE AND 1,4-CYCLOHEXANEDIONE IN ACIDIC MEDIA. I. THE EFFECT OF TEMPERATURE.

OSCILLATORY DYNAMICS IN SYSTEMS CONTAINING BROMATE AND 1,4-CYCLOHEXANEDIONE IN ACIDIC MEDIA. I. THE EFFECT OF TEMPERATURE. We present in this work the influence of temperature on the dynamics of homogeneous chemical systems containing bromate and 1,4-cyclohexanedione (1,4-CHD) in acidic media. In particular, the following systems were studied: bromate/1,4-CHD/acid, bromate/1,4-CHD/ferroin/acid and bromate/1,4-CHD/trisbipyridine ruthenium/acid. Investigations were carried out by means of an electrochemical probe, at five temperatures between 5 and 45 degrees C. Activation energies (E-a) were estimated in different ways for the pre-oscillatory and oscillatory regimes. In any case, the E-a was found to depend on the catalyst, composition and initial concentrations. In addition, it was observed that ferroin and trisbipyridine ruthenium act as catalysts only during the transition between the induction period and oscillatory regime.

Selectivity and Mechanisms Driven by Reaction Dynamics: The Case of the Gas-Phase OH-+CH3ONO2 Reaction

Well-established statistical approaches such as transition-state theory based on high-level calculated potential energy profiles are unable to account for the selectivity observed in the gas-phase OH- + CH3ONO2 reaction. This reaction can undergo bimolecular nucleophilic displacement at either the carbon center (S(N)2@C) or the nitrogen center (S(N)2@N) as well as a proton abstraction followed by dissociation (E(CO)2) pathway. Direct dynamics simulations yield an S(N)2:E(CO)2 product ratio in close agreement with experiment and show that the lack of reactivity at the nitrogen atom is due to the highly negative electrostatic potential generated by the oxygen atoms in the ONO2 group that scatters the incoming OH-. In addition to these dynamical effects, the nonstatistical behavior of these reactions is attributed to the absence of equilibrated reactant complexes and to the large number of recrossings, which might be present in several ion-molecule gas-phase reactions.

Characterization of suramin binding sites on the human group IIA secreted phospholipase A(2) by site-directed mutagenesis and molecular dynamics simulation

Suramin is a polysulphonated naphthylurea with inhibitory activity against the human secreted group IIA phospholipase A(2) (hsPLA2GIIA), and we have investigated suramin binding to recombinant hsPLA2GIIA using site-directed mutagenesis and molecular dynamics (MD) simulations. The changes in suramin binding affinity of 13 cationic residue mutants of the hsPLA2GIIA was strongly correlated with alterations in the inhibition of membrane damaging activity of the protein. Suramin binding to hsPLA2GIIA was also studied by MD simulations, which demonstrated that altered intermolecular potential energy of the suramin/mutant complexes was a reliable indicator of affinity change. Although residues in the C-terminal region play a major role in the stabilization of the hsPLA2GIIA/suramin complex, attractive and repulsive hydrophobic and electrostatic interactions with residues throughout the protein together with the adoption of a bent suramin conformation, all contribute to the stability of the complex. Analysis of the h5PLA2GIIA/suramin interactions allows the prediction of the properties of suramin analogues with improved binding and higher affinities which may be candidates for novel phospholipase A(2) inhibitors. (C) 2012 Elsevier Inc. All rights reserved.

Records of sedimentary dynamics in the continental shelf and upper slope between Aveiro-Espinho (N Portugal)

The sedimentary unconsolidated cover of the Aveiro-Espinho continental shelf and upper slope (NW Portugal) records a complex interplay of processes including wave energy and currents, fluvial input, sediment transport alongshore and cross-shelf, geological and oceanographic processes and sediment sources and sinks. In order to study this record, a set of surface sediment samples was studied. Sediment grain size and composition, as well as the mineralogical composition (by XRD) of the fine (<63 mu m) and clay (<2 mu m) fractions and benthic microfaunal (foraminifera) data were analysed. Cluster analysis applied to the sedimentological data (grain size, sediment composition and mineralogy) allowed the establishment of three main zones corresponding to the: inner-, mid- and outer-shelf/upper slope. On the inner-shelf, the sedimentary coverture is composed of siliciclastic fine to very fine sand, essentially comprising modern (immature) terrigenous particles. The sediment grain size, as well as mineralogical and microfaunal composition, denote the high energetic conditions of this sector in which the alongshore transport of sand is predominantly southward and occurs mostly during the spring-summer oceanographic regime, when the main river providing sediments to this area, the River Douro, undergoes periods of drought. This effect may emphasize the erosive character of this coastal sector at present, since the Ria de Aveiro provides the shelf with few sediments. On the mid-shelf, an alongshore siliciclastic band of coarse sand and gravel can be found between the 40 m and 60 m isobaths. This gravelly deposit includes relic sediments deposited during lower sea-level stands. This structure stays on the surface due to the high bottom energy, which promotes the remobilization of the fine-grained sediments, and/or events of sediments bypassing. Benthic foraminifera density and "Benthic Foraminifera High Productivity" (BFHP) proxy values are in general low, which is consistent with the overall small supply of organic matter to the oceanic bottom in the inner- and mid-shelf. However, the Ria de Aveiro outflow, which delivers organic matter to the shelf, leaves its imprint mainly on the mid-shelf, identifiable by the increase in foraminifera density and BFHP values in front of the lagoon mouth. The higher values of BFHP along the 100 m isobath trace the present position of an oceanic thermal front whose situation may have changed in the last 3/5 ka BP. This zone marks a clear difference in the density, diversity and composition of benthic foraminifera assemblages. Here, in addition, sediment composition changes significantly, giving rise to carbonate-rich fine to medium sand in the deeper sector. The low bottom energy and the small sedimentation rate of the outer-shelf contributed to the preservation of a discontinuous carbonate-rich gravel band, between the 100 m and 140 m isobaths, also related to paleo-littorals, following the transgression that has occurred since the Last Glacial Maximum. The winter oceanographic regime favours the transport of fine grained sediments to the outer-shelf and upper slope. The inner- and mid-shelf, however, have low amounts of this kind of sediment and the Cretacic carbonated complexes Pontal da Galega and Pontal da Cartola, rocky outcrops located at the mid- and outer-shelf, act as morphological barriers to the cross-shelf transport of sediments. Thus a reduced sedimentation rate occurs in these deeper sectors, as indicated by the lower abundance of detrital minerals, which is compensated for the high sedimentary content of biogenic carbonates. The relatively high BFHP and Shannon Index values indicate water column stratification, high supply of organic matter and environmental stability, which provide favourable conditions for a diversified benthic fauna to flourish. These conditions also encourage authigenic chemical changes, favourable to glauconite formation, as well as illite and kaolinite degradation. Benthic foraminifera and clay mineral assemblages also reveal the effect of the internal waves pushing upward, and downslope losses of the sediments on the outer-shelf and upper slope.