Modelization of surface diffusion of a molecular dimer

A simple model for a dimer molecular diffusion on a crystalline surface, as a function of temperature, is presented. The dimer is formed by two particles coupled by a quadratic potential. The dimer diffusion is modeled by an overdamped Langevin equation in the presence of a two-dimensional periodic potential. Numerical simulation¿s results exhibit some dynamical properties observed, for example, in Si2 diffusion on a silicon [100] surface. They can be used to predict the value of the effective friction parameter. Comparison between our model and experimental measurements is presented.

An analytical approach to sorting in periodic and random potentials

There has been a recent revolution in the ability to manipulate micrometer-sized objects on surfaces patterned by traps or obstacles of controllable configurations and shapes. One application of this technology is to separate particles driven across such a surface by an external force according to some particle characteristic such as size or index of refraction. The surface features cause the trajectories of particles driven across the surface to deviate from the direction of the force by an amount that depends on the particular characteristic, thus leading to sorting. While models of this behavior have provided a good understanding of these observations, the solutions have so far been primarily numerical. In this paper we provide analytic predictions for the dependence of the angle between the direction of motion and the external force on a number of model parameters for periodic as well as random surfaces. We test these predictions against exact numerical simulations.

Understanding quantum wires with circular bends

It is shown that propagation around a circular bend in a quantum wire is well approximated by a one¿dimensional problem with a square¿well potential replacing the bend. Simple analytic expressions are obtained for the transmission and bound states.

Boson-boson mixtures and triplet correlations

The hypernetted-chain formalism for boson-boson mixtures described by an extended Jastrow correlated wave function is derived, taking into account elementary diagrams and triplet correlations. The energy of an ideal boson 3He-4He mixture is computed for low values of the 3He concentration. The zero-3He-concentration limit provides a 3He chemical potential in good agreement with the experimental value, when a McMillan two-body correlation factor and the Lennard-Jones potential are adopted. If the Euler equations for the two-body correlation factors are solved in presence of triplet correlations, the agreement is again improved. At the experimental 4He equilibrium density, the 3He chemical potential turns out to be -2.58 K, to be compared with the experimental value, -2.79 K.

Density matrices and momentum distributions in 3He-4He mixtures

We report variational calculations, in the hypernetted-chain (HNC)-Fermi-HNC scheme, of one-body density matrices and one-particle momentum distributions for 3He-4He mixtures described by a Jastrow correlated wave function. The 4He condensate fractions and the 3He strength poles are examined and compared with the Monte Carlo available results. The agreement has been found to be very satisfactory. Their density dependence is also studied.

Surface mapping, organic matter and water stocks in peatlands of the Serra do Espinhaço meridional - Brazil

Peatlands are soil environments that store carbon and large amounts of water, due to their composition (90 % water), low hydraulic conductivity and a sponge-like behavior. It is estimated that peat bogs cover approximately 4.2 % of the Earth's surface and stock 28.4 % of the soil carbon of the planet. Approximately 612 000 ha of peatlands have been mapped in Brazil, but the peat bogs in the Serra do Espinhaço Meridional (SdEM) were not included. The objective of this study was to map the peat bogs of the northern part of the SdEM and estimate the organic matter pools and water volume they stock. The peat bogs were pre-identified and mapped by GIS and remote sensing techniques, using ArcGIS 9.3, ENVI 4.5 and GPS Track Maker Pro software and the maps validated in the field. Six peat bogs were mapped in detail (1:20,000 and 1:5,000) by transects spaced 100 m and each transect were determined every 20 m, the UTM (Universal Transverse Mercator) coordinates, depth and samples collected for characterization and determination of organic matter, according to the Brazilian System of Soil Classification. In the northern part of SdEM, 14,287.55 ha of peatlands were mapped, distributed over 1,180,109 ha, representing 1.2 % of the total area. These peatlands have an average volume of 170,021,845.00 m³ and stock 6,120,167 t (428.36 t ha-1) of organic matter and 142,138,262 m³ (9,948 m³ ha-1) of water. In the peat bogs of the Serra do Espinhaço Meridional, advanced stages of decomposing (sapric) organic matter predominate, followed by the intermediate stage (hemic). The vertical growth rate of the peatlands ranged between 0.04 and 0.43 mm year-1, while the carbon accumulation rate varied between 6.59 and 37.66 g m-2 year-1. The peat bogs of the SdEM contain the headwaters of important water bodies in the basins of the Jequitinhonha and San Francisco Rivers and store large amounts of organic carbon and water, which is the reason why the protection and preservation of these soil environments is such an urgent and increasing need.

Particle agglomeration study in rf silane plasmas: In situ study by polarization-sensitive laser light scattering

To determine self‐consistently the time evolution of particle size and their number density in situ multi‐angle polarization‐sensitive laser light scattering was used. Cross‐polarization intensities (incident and scattered light intensities with opposite polarization) measured at 135° and ex situ transmission electronic microscopy analysis demonstrate the existence of nonspherical agglomerates during the early phase of agglomeration. Later in the particle time development both techniques reveal spherical particles again. The presence of strong cross‐polarization intensities is accompanied by low‐frequency instabilities detected on the scattered light intensities and plasma emission. It is found that the particle radius and particle number density during the agglomeration phase can be well described by the Brownian free molecule coagulation model. Application of this neutral particle coagulation model is justified by calculation of the particle charge whereby it is shown that particles of a few tens of nanometer can be considered as neutral under our experimental conditions. The measured particle dispersion can be well described by a Brownian free molecule coagulation model including a log‐normal particle size distribution.

Magneto-optical Kerr effect in laser-patterned La2/3Sr1/3MnO3 epitaxial thin films

In this study, we have performed magneto-optical Kerr effect (MOKE) measurement on epitaxial La2/3Sr1/3MnO3 thin films containing artificial interfaces created by laser-patterning the SrTiO3 substrate. The observed increase of the resistivity and of the high-field magnetoresistance when measuring the films across the interface arrays are related to the reduction of the magnetization of the interfaces with respect to the rest of the film. As observed by the local MOKE probe, the structural disorder in the manganite film induced by the underlying patterned substrate leads to a large spin disorder responsible for a strong high-field susceptibility of the resistance.

Kerr measurements on single-domain SrRuO3 thin films

We report on the magneto-optical measurements of an epitaxial SrRuO3 film grown on SrTiO3 (0 0 1), which previously was determined to be single domain orientated by x-ray diffraction and Raman spectroscopy techniques. Our experiments reveal a large Kerr rotation, which reaches a maximum value of about 0.5° at low temperature. By measuring magnetic hysteresis loops at different temperatures, we determined the temperature dependence of the Kerr rotation in the polar configuration. Values of the anisotropic magnetoresistance ~ 20% have been measured. These values are remarkably higher than those of other metallic oxides such as manganites. This striking difference can be attributed to the strong spin-orbit interaction of the Ru 4d ion in the SrRuO3 compound.

Statistical dynamics of dislocation systems: The influence of dislocation-dislocation correlations.

During plastic deformation of crystalline materials, the collective dynamics of interacting dislocations gives rise to various patterning phenomena. A crucial and still open question is whether the long range dislocation-dislocation interactions which do not have an intrinsic range can lead to spatial patterns which may exhibit well-defined characteristic scales. It is demonstrated for a general model of two-dimensional dislocation systems that spontaneously emerging dislocation pair correlations introduce a length scale which is proportional to the mean dislocation spacing. General properties of the pair correlation functions are derived, and explicit calculations are performed for a simple special case, viz pair correlations in single-glide dislocation dynamics. It is shown that in this case the dislocation system exhibits a patterning instability leading to the formation of walls normal to the glide plane. The results are discussed in terms of their general implications for dislocation patterning.

Depinning transition of dislocation assemblies: Pileups and low-angle grain boundaries

We investigate the depinning transition occurring in dislocation assemblies. In particular, we consider the cases of regularly spaced pileups and low-angle grain boundaries interacting with a disordered stress landscape provided by solute atoms, or by other immobile dislocations present in nonactive slip systems. Using linear elasticity, we compute the stress originated by small deformations of these assemblies and the corresponding energy cost in two and three dimensions. Contrary to the case of isolated dislocation lines, which are usually approximated as elastic strings with an effective line tension, the deformations of a dislocation assembly cannot be described by local elastic interactions with a constant tension or stiffness. A nonlocal elastic kernel results as a consequence of long-range interactions between dislocations. In light of this result, we revise statistical depinning theories of dislocation assemblies and compare the theoretical results with numerical simulations and experimental data.

Electronic structure and properties of Cu2O

The structural and electronic properties of Cu2O have been investigated using the periodic Hartree-Fock method and a posteriori density-functional corrections. The lattice parameter, bulk modulus, and elastic constants have been calculated. The electronic structure of and bonding in Cu2O are analyzed and compared with x-ray photoelectron spectroscopy spectra, showing a good agreement for the valence-band states. To check the quality of the calculated electron density, static structure factors and Compton profiles have been calculated, showing a good agreement with the available experimental data. The effective electron and hole masses have been evaluated for Cu2O at the center of the Brillouin zone. The calculated interaction energy between the two interpenetrated frameworks in the cuprite structure is estimated to be around -6.0 kcal/mol per Cu2O formula. The bonding between the two independent frameworks has been analyzed using a bimolecular model and the results indicate an important role of d10-d10 type interactions between copper atoms.

Pig slurry and nutrient accumulation and dry matter and grain yield in various crops

Pig slurry (PS) represents an important nutrient source for plants and using it as fertilizer makes greater nutrient cycling in the environment possible. The aim of this study was to assess how PS application over a period of years can affect grain yield, dry matter production and nutrient accumulation in commercial grain and cover crops. The experiment was carried out in an experimental area of the Universidade Federal de Santa Maria, in Santa Maria, RS, Brazil, from May 2000 to January 2008. In this period, 19 grain and cover crops were grown with PS application before sowing, at rates of 0, 20, 40 and 80 m³ ha-1. The highest PS rate led to an increase in nutrient availability over the years, notably of P, but also of nutrients that are potentially toxic to plants, especially Cu and Zn. The apparent recovery of nutrients by commercial grain and cover crops decreased with the increasing number of PS applications to the soil. Accumulated dry matter production of the crops and maize grain yield were highest at an annual application rate of 80 m³ ha-1 PS. However, common bean yield increased up to 20 m³ ha-1 PS, showing that the crop to be grown should be considered to define the application rate.

Self-organized criticality induced by diversity

We have studied the collective behavior of a population of integrate-and-fire oscillators. We show that diversity, introduced in terms of a random distribution of natural periods, is the mechanism that permits one to observe self-organized criticality (SOC) in the long time regime. As diversity increases the system undergoes several transitions from a supercritical regime to a subcritical one, crossing the SOC region. Although there are resemblances with percolation, we give proofs that criticality takes place for a wide range of values of the control parameter instead of a single value.

Glassiness in a model without energy barriers

We propose a microscopic model without energy barriers in order to explain some generic features observed in structural glasses. The statics can be exactly solved while the dynamics has been clarified using Monte Carlo calculations. Although the model has no thermodynamic transition, it captures some of the essential features of real glasses, i.e., extremely slow relaxation, time dependent hysteresis effects, anomalous increase of the relaxation time, and aging. This suggests that the effect of entropy barriers can be an important ingredient to account for the behavior observed in real glasses.