Can one have preroughening of vicinal surfaces?

We discuss the possibility that, besides roughening, a vicinal surface could display preroughening (PR), and consider the possible mechanisms for its promotion. Within the framework of a terrace-step-kink model, it turns out that a PR transition is possible, and could be induced by a short-range repulsion between parallel kinks along the same step or on adjacent steps, or even by some kind of extended range step-step repulsion. We discuss the possible relevance of this phenomenon to the anomalous roughening behaviour recently reported for Ag(115).Comment: 9 pages, 3 postscript figures, submitted to Surface Scienc

Evidence of ion diffusion at room temperature in microcrystals of the Bi2Sr2CaCu2O8+delta superconductor

We have studied Bi-2212 microcrystals aged at ambient conditions for 40 days. Combined x-ray absorption near edge structure and x-ray fluorescence measurements with micrometer space resolution show both an increase of Cu$^{+}$ with respect to Cu$^{2+}$ and an enrichment in Cu vs Bi and Sr cation content near the sample edges in the b-axis direction. A parallel study on an electrically contacted sample has indirectly detected the O loss, observing both a resistivity increase and an increase in sample thickness near the edges. We conclude that the O out-diffusion along the b-axis is accompanied by Cu cation migration in the same direction.Comment: RevTeX 4, 10 pages, 3 figure

Lattice density-functional theory of surface melting: the effect of a square-gradient correction

I use the method of classical density-functional theory in the weighted-density approximation of Tarazona to investigate the phase diagram and the interface structure of a two-dimensional lattice-gas model with three phases -- vapour, liquid, and triangular solid. While a straightforward mean-field treatment of the interparticle attraction is unable to give a stable liquid phase, the correct phase diagram is obtained when including a suitably chosen square-gradient term in the system grand potential. Taken this theory for granted, I further examine the structure of the solid-vapour interface as the triple point is approached from low temperature. Surprisingly, a novel phase (rather than the liquid) is found to grow at the interface, exhibiting an unusually long modulation along the interface normal. The conventional surface-melting behaviour is recovered only by artificially restricting the symmetries being available to the density field.Comment: 16 pages, 6 figure

Study of the Correlation among Luminous Properties of Smart Glazing for Adaptive Energy Saving Buildings

A smart window, such as electrochromic or thermochromic windows, may not be able to accomplish at the same time energy efficiency and visual comfort functions, since satisfying one criterium interferes with the other. This recalls to the important issue of establishing precise relationships among parameters affecting energy, glare control, and color rendering tasks and the influence on them of glazing material composition and preparation technique. With this aim, the luminous properties of a number of advanced glazings found in literature and of three home-made electrochromic devices differing by material composition and/or preparation technique are analyzed in this study. The investigation has involved the determination of the CIE (Commission International de l'Eclairage) Color Rendering Index (CIE CRI), the Correlated Color Temperature (CCT), and the luminous transmittance coefficient (tau(V)) of the devices which are discussed with regard to their potential in absolving to energy and visual comfort tasks. Results lead to the main conclusion that the CIE CRI, CCT, and tau(V) indexes are clearly linked by an exponential correlation. At low tau(V) values (tau(V) < 0.5), however, the correlation weakens and the variation of the CIE CRI and CCT indexes becomes entirely material dependent. The influence of preparation technique appears to be irrelevant since the color rendering indexes appear to be well correlated to tau(V) over all the investigated tau(V) range

The ideal gas as an urn model: derivation of the entropy formula

The approach of an ideal gas to equilibrium is simulated through a generalization of the Ehrenfest ball-and-box model. In the present model, the interior of each box is discretized, {\it i.e.}, balls/particles live in cells whose occupation can be either multiple or single. Moreover, particles occasionally undergo random, but elastic, collisions between each other and against the container walls. I show, both analitically and numerically, that the number and energy of particles in a given box eventually evolve to an equilibrium distribution $W$ which, depending on cell occupations, is binomial or hypergeometric in the particle number and beta-like in the energy. Furthermore, the long-run probability density of particle velocities is Maxwellian, whereas the Boltzmann entropy $\ln W$ exactly reproduces the ideal-gas entropy. Besides its own interest, this exercise is also relevant for pedagogical purposes since it provides, although in a simple case, an explicit probabilistic foundation for the ergodic hypothesis and for the maximum-entropy principle of thermodynamics. For this reason, its discussion can profitably be included in a graduate course on statistical mechanics.Comment: 17 pages, 3 figure

On the accuracy of the melting curves drawn from modelling a solid as an elastic medium

An ongoing problem in the study of a classical many-body system is the characterization of its equilibrium behaviour by theory or numerical simulation. For purely repulsive particles, locating the melting line in the pressure-temperature plane can be especially hard if the interparticle potential has a softened core or contains some adjustable parameters. A method is hereby presented that yields reliable melting-curve topologies with negligible computational effort. It is obtained by combining the Lindemann melting criterion with a description of the solid phase as an elastic continuum. A number of examples are given in order to illustrate the scope of the method and possible shortcomings. For a two-body repulsion of Gaussian shape, the outcome of the present approach compares favourably with the more accurate but also more computationally demanding self-consistent harmonic approximation.Comment: 25 pages, 7 figure

energy performance of chp system integrated with citrus peel air steam gasification a comparative study

Abstract The aim of this work is to exploit the potential of residual biomass, different from the traditional wood feedstock, by thermochemical gasification process. In particular, citrus peels waste of the juice extraction process, was selected since it is a typical local Sicilian residue. The citrus peel conversion performances in air-steam gasification process were evaluated and compared with those obtained with pinewood as feedstock. Experimental activities of air-steam gasification were carried out in a bench-scale fluidized bed reactor at 1023 K, for both citrus peel and pinewood, varying the steam to biomass ratio (S/B). A simulation model of the experimental facility was developed in order to find a useful tool to realize the virtual scale-up of the system with downstream syngas utilization. The cold gas efficiency (CGE) and the net cold gas efficiency (CGE net ) were calculated to define the best gasification conditions. Results showed that using pinewood a very low reactivity can be observed, showing a very low net CGE. The highest net CGE for citrus peel was observed at S/B = 0.5, while for pinewood the addition of water did not improve the net CGE. Finally, an integration of the citrus peel gasification system with a commercial CHP unit was proposed and the efficiencies were evaluated

Chemical Short-Range Order in Selenide and Telluride Glasses

International audienc

Cluster density functional theory for lattice models based on the theory of Mobius functions

Rosenfeld's fundamental measure theory for lattice models is given a rigorous formulation in terms of the theory of Mobius functions of partially ordered sets. The free-energy density functional is expressed as an expansion in a finite set of lattice clusters. This set is endowed a partial order, so that the coefficients of the cluster expansion are connected to its Mobius function. Because of this, it is rigorously proven that a unique such expansion exists for any lattice model. The low-density analysis of the free-energy functional motivates a redefinition of the basic clusters (zero-dimensional cavities) which guarantees a correct zero-density limit of the pair and triplet direct correlation functions. This new definition extends Rosenfeld's theory to lattice model with any kind of short-range interaction (repulsive or attractive, hard or soft, one- or multi-component...). Finally, a proof is given that these functionals have a consistent dimensional reduction, i.e. the functional for dimension d' can be obtained from that for dimension d (d'<d) if the latter is evaluated at a density profile confined to a d'-dimensional subset.Comment: 21 pages, 2 figures, uses iopart.cls, as well as diagrams.sty (included