Activating Bi p-orbitals in Dispersed Clusters of Amorphous BiOx for Electrocatalytic Nitrogen Reduction

Catalytic strategies based on main group metals are significantly less advanced than those of transition metal catalysis, leaving untapped areas of potentially fruitful research. We here demonstrate an effective approach for the modulation of Bi 6p energy levels during the construction of atomically dispersed clusters of amorphous BiO_x. Bi oxidation state is proposed to strongly affects the nitrogen fixation activity, with the half-occupied p_z orbitals of the Bi²⁺ ions being highly efficient toward electron injection into the inert N₂ molecule. With sufficient catalytic sites to adsorb and activate N₂, the bonding between N₂ and catalyst is able to be in situ identified. The catalyst shows an outstanding Faraday efficiency (≈30 %) and high yield (≈113 μg h⁻¹ mg⁻¹_cat) in NH₃ production, outperforming most of the existing catalysts in aqueous solution. These results lay the basis for developing the potential of p-block elements for catalysis of multi-electron reactions.     

A fractional order epidemic model for the simulation of outbreaks of influenza A(H1N1)

In this paper, we propose a nonlinear fractional order model in order to explain and understand the outbreaks of influenza A(H1N1). In the fractional model, the next state depends not only upon its current state but also upon all of its historical states. Thus, the fractional model is more general than the classical epidemic models. In order to deal with the fractional derivatives of the model, we rely on the Caputo operator and on the Grünwald–Letnikov method to numerically approximate the fractional derivatives. We conclude that the nonlinear fractional order epidemic model is well suited to provide numerical results that agree very well with real data of influenza A(H1N1) at the level population. In addition, the proposed model can provide useful information for the understanding, prediction, and control of the transmission of different epidemics worldwide. Copyright © 2013 John Wiley & Sons, Ltd.     

A procedure to linearize a class of non-linear systems modelled by bond graphs

A procedure is proposed to obtain the linearization of a class of non-linear physical systems using bond graphs. Also, a junction structure of a non-linear bond graph considering linearly dependent and independent state variables is described. From the junction structure of the non-linear bond graph a procedure to build a linearized bond graph is presented. Finally, an example of a Programmable Universal Manipulation Arm (PUMA) manipulator is given.     

Piecewise finite series solutions of seasonal diseases models using multistage Adomian method

The aim of this paper is to apply the multistage Adomian Decomposition Method MADM to solve systems of nonautonomous nonlinear differential equations that describe several epidemic models with periodic behavior. Here the concept of the MADM is introduced and then it is employed to obtain a piecewise finite series solution. The MADM is used here as a hybrid analytical–numerical technique for approximating the solutions of the epidemic models. In order to show the efficiency of the method, the obtained numerical results are compared with the fourth-order Runge–Kutta method solutions. Numerical comparisons show that the MADM is accurate, easy to apply and the calculated solutions preserve the periodic behavior of the continuous models. Moreover, the method has the advantage of giving a functional form of the solution for any time interval. Furthermore, it is shown that if the truncation order and the time step size are not properly chosen large computational work is required and inaccurate solutions may be obtained.     

Qualitative operators for reasoning maps: Evaluating multi-criteria options with networks of reasons

Cognitive/causal maps have been widely used as a powerful way of capturing decision-makers’ views about a problem, representing it as a cause–effect discourse. Several ways of making causal inferences from this type of model have been proposed in the Operational Research and Artificial Intelligence literatures, but none, as far as we are aware, has attempted to use a causal map structure to perform a multi-criteria evaluation of decision alternatives. Recently, we have proposed a new multi-criteria method, denominated as a Reasoning Map, which permits the use of decision-makers’ reasoning, structured as a network of means-and-ends (a particular type of causal map) to perform such an evaluation. In this manner, the model resembles the way that people talk and think about decisions in practice. The method also pays explicit attention to the cognitive limitations of decision-makers in providing preference information. Thus it employs qualitative assessment of preferences, utilises aggregation operators for qualitative data and provides also qualitative outputs. In this paper we discuss and evaluate possible ways of aggregating qualitative performance information in Reasoning Maps.     

Proper holomorphic maps between Reinhardt domains and strictly pseudoconvex domains

LetR be a Reinhardt domain andD a bounded simply connected strictly pseudoconvex domain withC ^∞ boundary. We prove that any proper holomorphic mapF:R →D is, up to biholomorphism ofD, of the form \((z_1^{d_1 } , z_2^{d_2 } , \ldots , z_n^{d_n } )\) withd ₁,d ₂,…,d _n ∈ IN.     

Facilitated modelling in operational research

The traditional way of employing operational research in organisational interventions has been the expert mode. In this mode, the problem situation faced by the client is given to the operational research consultant, who then builds a model of the situation, solves the model to arrive at an optimal (or quasi-optimal) solution, and then provides a recommendation to the client based on the obtained solution. An alternative mode of engagement is to conduct the whole intervention together with the client: from structuring and defining the nature of the problem situation of interest, to supporting the evaluation of priorities and development of plans for subsequent implementation. In this latter mode, the operational researcher works throughout the intervention not only as an analyst, but also as a facilitator to the client. This paper discusses this latter mode of engagement with clients, with particular emphasis on the use of facilitated modelling as the intervention tool. Drawing on research scattered across a range of publications and domains, the review presented here provides a formal definition of facilitated modelling, together with a general framework that allows the conceptualisation of a wide variety of facilitated modelling approaches to organisational intervention. Design issues in facilitated modelling and their practical implication are discussed, and directions for future research identified.     

Folding characterization in conservative chaotic fluid flows

We study transport of passive scalar fields in a bidimensional incompressible chaotic fluid flow. For a spatially smooth velocity field with impulsive perturbations, the model is described by a randomized standard mapping. We numerically investigate passive scalar field transport for given initial concentration distributions and their dependence on the nonlinearity and noise amplitude. We show that space and time concentration histograms are determined by the underlying mechanism of stretching and folding. Moreover, to characterize this process we introduce a parameter, the average derivative of a tracer line length, which shows interesting scale properties.     

The unique carrier mobility of Janus MoSSe/GaN heterostructures

Heterostructure is an effective approach in modulating the physical and chemical behavior of materials. Here, the first-principles calculations were carried out to explore the structural, electronic, and carrier mobility properties of Janus MoSSe/GaN heterostructures. This heterostructure exhibits a superior high carrier mobility of 281.28 cm²·V⁻¹·s⁻¹ for electron carrier and 3951.2 cm²·V⁻¹·s⁻¹ for hole carrier. Particularly, the magnitude of the carrier mobility can be further tuned by Janus structure and stacking modes of the heterostructure. It is revealed that the equivalent mass and elastic moduli strongly affect the carrier mobility of the heterostructure, while the deformation potential contributes to the different carrier mobility for electron and hole of the heterostructure. These results suggest that the Janus MoSSe/GaN heterostructures have many potential applications for the unique carrier mobility.     

Heat transfer between two nanoparticles through near field interaction

We introduce a thermal conductance by using the fluctuation-dissipation theorem to analyze the heat transfer between two nanoparticles separated by a submicron distance. Using either a molecular dynamics technique or a model based on the Coulomb interaction between fluctuating dipoles, we derive the thermal conductance. Both models agree for distances larger than a few diameters. For separation distances smaller than the particle diameter, we find a transition regime characterized by a thermal conductance larger than the contact conductance.