Hydrogenated grain boundaries in graphene

We have investigated by means of first principles calculations the structural and electronic properties of hydrogenated graphene structures with distinct grain boundary defects. Our total energy results reveal that the adsorption of a single H is more stable at grain boundary defect. The electronic structure of the grains boundaries upon hydrogen adsorption have been examined. Further total energy calculations indicate that the adsorption of two H on two neighbor carbons, forming a basic unit of graphane, is more stable at the defect region. Therefore, we expect that these extended defects would work as a nucleation region for the formation of a narrow graphane strip embedded in graphene region

Scaling Solutions of Inelastic Boltzmann Equations with Over-populated High Energy Tails

This paper deals with solutions of the nonlinear Boltzmann equation for spatially uniform freely cooling inelastic Maxwell models for large times and for large velocities, and the nonuniform convergence to these limits. We demonstrate how the velocity distribution approaches in the scaling limit to a similarity solution with a power law tail for general classes of initial conditions and derive a transcendental equation from which the exponents in the tails can be calculated. Moreover on the basis of the available analytic and numerical results for inelastic hard spheres and inelastic Maxwell models we formulate a conjecture on the approach of the velocity distribution function to a scaling form.Comment: 15 pages, 4 figures. Accepted in J. Statistical Physic

Extension of Haff's cooling law in granular flows

The total energy E(t) in a fluid of inelastic particles is dissipated through inelastic collisions. When such systems are prepared in a homogeneous initial state and evolve undriven, E(t) decays initially as t^{-2} \aprox exp[ - 2\epsilon \tau] (known as Haff's law), where \tau is the average number of collisions suffered by a particle within time t, and \epsilon=1-\alpha^2 measures the degree of inelasticity, with \alpha the coefficient of normal restitution. This decay law is extended for large times to E(t) \aprox \tau^{-d/2} in d-dimensions, far into the nonlinear clustering regime. The theoretical predictions are quantitatively confirmed by computer simulations, and holds for small to moderate inelasticities with 0.6< \alpha< 1.Comment: 7 pages, 4 PostScript figures. To be published in Europhysics Letter

Asymptotic solutions of the nonlinear Boltzmann equation for dissipative systems

Analytic solutions $F(v,t)$ of the nonlinear Boltzmann equation in $d$-dimensions are studied for a new class of dissipative models, called inelastic repulsive scatterers, interacting through pseudo-power law repulsions, characterized by a strength parameter $\nu$, and embedding inelastic hard spheres ($\nu=1$) and inelastic Maxwell models ($\nu=0$). The systems are either freely cooling without energy input or driven by thermostats, e.g. white noise, and approach stable nonequilibrium steady states, or marginally stable homogeneous cooling states, where the data, $v^d_0(t) F(v,t)$ plotted versus $c=v/v_0(t)$, collapse on a scaling or similarity solution $f(c)$, where $v_0(t)$ is the r.m.s. velocity. The dissipative interactions generate overpopulated high energy tails, described generically by stretched Gaussians, $f(c) \sim \exp[-\beta c^b]$ with $0 < b < 2$, where $b=\nu$ with $\nu>0$ in free cooling, and $b=1+{1/2} \nu$ with $\nu \geq 0$ when driven by white noise. Power law tails, $f(c) \sim 1/c^{a+d}$, are only found in marginal cases, where the exponent $a$ is the root of a transcendental equation. The stability threshold depend on the type of thermostat, and is for the case of free cooling located at $\nu=0$. Moreover we analyze an inelastic BGK-type kinetic equation with an energy dependent collision frequency coupled to a thermostat, that captures all qualitative properties of the velocity distribution function in Maxwell models, as predicted by the full nonlinear Boltzmann equation, but fails for harder interactions with $\nu>0$.Comment: Submitted to: "Granular Gas Dynamics", T. Poeschel, N. Brilliantov (eds.), Lecture Notes in Physics, Vol. LNP 624, Springer-Verlag, Berlin-Heidelberg-New York, 200

Reverse logistics - a framework

In this paper we define and compare Reverse Logistics definitions. We start by giving an understanding framework of Reverse Logistics: the why-what-how. By this means, we put in context the driving forces for Reverse Logistics, a typology of return reasons, a classification of products, processes and actors. In addition we provide a decision framework for Reverse Logistics and we present it according to long, medium and short term decisions, i.e. strategic-tactic-operational decisions.Framework;Decision-making;Reverse logistics;Theory building

A Framework for Reverse Logistics

Reverse Logistics has been stretching out worldwide, involving all the layers of supply chains in various industry sectors. While some actors in the chain have been forced to take products back, others have pro-actively done so, attracted by the value in used products One way or the other, Reverse Logistics has become a key competence in modern supply chains. In this paper, we present a content analysis of reverse logistics issues. To do so, we propose a content framework focusing on the following questions with respect to reverse logistics: why? what? how?; and, who?, i.e. driving forces and return reasons, what type of products are streaming back, how are they being recovered, and who is executing and managing the various operations. These four basic characteristics are interrelated and their combination determines to a large extent the type of issues arising from the resulting reverse logistics system.supply chain management;reverse logistics;content analysis;theory;framework

Towards a Landau-Ginzburg-type Theory for Granular Fluids

In this paper we show how, under certain restrictions, the hydrodynamic equations for the freely evolving granular fluid fit within the framework of the time dependent Landau-Ginzburg (LG) models for critical and unstable fluids (e.g. spinodal decomposition). The granular fluid, which is usually modeled as a fluid of inelastic hard spheres (IHS), exhibits two instabilities: the spontaneous formation of vortices and of high density clusters. We suppress the clustering instability by imposing constraints on the system sizes, in order to illustrate how LG-equations can be derived for the order parameter, being the rate of deformation or shear rate tensor, which controls the formation of vortex patterns. From the shape of the energy functional we obtain the stationary patterns in the flow field. Quantitative predictions of this theory for the stationary states agree well with molecular dynamics simulations of a fluid of inelastic hard disks.Comment: 19 pages, LaTeX, 8 figure

Self-Diffusion in Simple Models: Systems with Long-Range Jumps

We review some exact results for the motion of a tagged particle in simple models. Then, we study the density dependence of the self diffusion coefficient, $D_N(\rho)$, in lattice systems with simple symmetric exclusion in which the particles can jump, with equal rates, to a set of $N$ neighboring sites. We obtain positive upper and lower bounds on $F_N(\rho)=N((1-\r)-[D_N(\rho)/D_N(0)])/(\rho(1-\rho))$ for $\rho\in [0,1]$. Computer simulations for the square, triangular and one dimensional lattice suggest that $F_N$ becomes effectively independent of $N$ for $N\ge 20$.Comment: 24 pages, in TeX, 1 figure, e-mail addresses: [email protected], [email protected], [email protected]

Influência de descargas de água subterrânea na concentração de nutrientes e comunidade planctónica do sapal de Castro Marim, Vila Real de Santo António (SE, Portugal)

Dissertação de mest., Biologia Marinha, Faculdade de Ciências e Tecnologia, Univ. do Algarve, 2011O sapal de Castro Marim é um ecossistema que se encontra dependente das trocas que efectua com o estuário do Guadiana. A construção da barragem do Alqueva em 2003 foi responsável por alterações hidrológicas ao provocar variações ao nível do caudal do rio, que por sua vez influenciou o balanço de nutrientes e a dinâmica planctónica. Neste contexto, a contribuição de fluxos de água subterrânea na manutenção do equilíbrio deste ecossistema deve ser considerada e avaliada. Com o objetivo de caracterizar o fluxo de nutrientes associado à descarga do aquífero de Monte Gordo e posterior avaliação da influência na qualidade da água e na comunidade planctónica do sapal de Castro Marim, foram realizadas amostragens no inverno de 2008 e primavera de 2009. Recolheram-se oito amostras, ao longo do esteiro da Lezíria, para a análise de nutrientes dissolvidos e composição, abundância e biomassa planctónica. Foi observada a existência de uma correlação positiva, através da Análise de Componentes Principais, entre o silicato e o nitrato e as estações junto ao ponto de descarga do aquífero. Foram ainda estabelecidas correlações positivas entre estes dois nutrientes e a concentração de clorofila a (chl a). A análise CLUSTER e MDS efectuadas revelaram a maior similaridade, em termos de composição, das estações mais afastadas do ponto de descarga, facto que realçou a influência da entrada de água salgada neste ecossistema. As análises efectuadas evidenciaram a existência de um fluxo de nutrientes (sílica e azoto) associado à descarga do aquífero. Esta fonte de nutrientes parece influenciar a concentração de chl a junto ao ponto de descarga das águas subterrâneas. Contudo a existência de uma correlação entre estas descargas e a composição planctónica não foi tão evidente, devido à acção do ciclo de maré