Structure-properties correlations in Fe chalcogenide superconductors

The focus of this review article is on the PbO-type Fe chalcogenides that recently emerged as a new class of superconductors. The fundamental correlations between structural details and chemical compositions are discussed together with their influence on the electronic properties.     

On the boundary of the attainable set of the dirichlet spectrum

Denoting by ${\varepsilon\subseteq\mathbb{R}^2}$ the set of the pairs ${(\lambda_1(\Omega),\,\lambda_2(\Omega))}$ for all the open sets ${\Omega\subseteq\mathbb{R}^N}$ with unit measure, and by ${\Theta\subseteq\mathbb{R}^N}$ the union of two disjoint balls of half measure, we give an elementary proof of the fact that ${\partial\varepsilon}$ has horizontal tangent at its lowest point ${(\lambda_1(\Theta),\,\lambda_2(\Theta))}$ .     

Machine learning for global optimization

In this paper we introduce the LeGO (Learning for Global Optimization) approach for global optimization in which machine learning is used to predict the outcome of a computationally expensive global optimization run, based upon a suitable training performed by standard runs of the same global optimization method. We propose to use a Support Vector Machine (although different machine learning tools might be employed) to learn the relationship between the starting point of an algorithm and the final outcome (which is usually related to the function value at the point returned by the procedure). Numerical experiments performed both on classical test functions and on difficult space trajectory planning problems show that the proposed approach can be very effective in identifying good starting points for global optimization.     

Coherent periodic activity in excitatory Erdös-Renyi neural networks: the role of network connectivity

In this article, we investigate the role of connectivity in promoting coherent activity in excitatory neural networks. In particular, we would like to understand if the onset of collective oscillations can be related to a minimal average connectivity and how this critical connectivity depends on the number of neurons in the networks. For these purposes, we consider an excitatory random network of leaky integrate-and-fire pulse coupled neurons. The neurons are connected as in a directed Erdo?s-Renyi graph with average connectivity scaling as a power law with the number of neurons in the network. The scaling is controlled by a parameter γ, which allows to pass from massively connected to sparse networks and therefore to modify the topology of the system. At a macroscopic level, we observe two distinct dynamical phases: an asynchronous state corresponding to a desynchronized dynamics of the neurons and a regime of partial synchronization (PS) associated with a coherent periodic activity of the network. At low connectivity, the system is in an asynchronous state, while PS emerges above a certain critical average connectivity (c). For sufficiently large networks, (c) saturates to a constant value suggesting that a minimal average connectivity is sufficient to observe coherent activity in systems of any size irrespectively of the kind of considered network: sparse or massively connected. However, this value depends on the nature of the synapses: reliable or unreliable. For unreliable synapses, the critical value required to observe the onset of macroscopic behaviors is noticeably smaller than for reliable synaptic transmission. Due to the disorder present in the system, for finite number of neurons we have inhomogeneities in the neuronal behaviors, inducing a weak form of chaos, which vanishes in the thermodynamic limit. In such a limit, the disordered systems exhibit regular (non chaotic) dynamics and their properties correspond to that of a homogeneous fully connected network for any γ-value. Apart for the peculiar exception of sparse networks, which remain intrinsically inhomogeneous at any system size.     

The Reduced Basis Method for an Elastic Buckling Problem

In this work, we apply the Reduced Basis (RB) Method to the field of nonlinear elasticity. In this first stage of research, we analyze a buckling problem for a compressed 2D column: Here, the trivial linear solution is computed for an arbitrary load; the critical load, marking the transition to nonlinearity, is then identified through an eigenvalue problem. The linear problem satisfies the Lax-Milgram conditions, allowing the implementation of both a Successive Constraint Method for an inexpensive lower bound of the coercivity constant and of a rigorous and efficient a posteriori error estimator for the RB approximation. Even though only a non-rigorous estimator is available for the buckling problem, the actual RB approximation of the output is more than satisfactory, and the gain in computational efficiency significant. (© 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Torsion pendulum revisited

We present an analysis of the motion of a simple torsion pendulum and we describe how, with straightforward extensions to the usual basic dynamical model, we succeed in explaining some unexpected features we found in our data, like the modulation of the torsion mode at a higher frequency and the frequency splitting of the swinging motion. Comparison with observed values yields estimates for the misalignment angles and other parameters of the model.     

Expanding the Chemical Space of Benzimidazole Dicationic Ionic Liquids

Benzimidazole dicationic ionic liquids (BDILs) have not yet been widely explored in spite of their potential. Therefore, two structurally related families of BDILs, paired with either bromide or bistriflimide anions and bearing alkyl spacers ranging from C3 to C6, have been prepared. Their thermal properties have been studied by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC), while their electrical properties have been assessed by cyclic voltammetry (CV). TG analysis confirmed the higher stability of the bistriflimide BDILs over the bromide BDILs, with minor variation within the two families. Conversely, DSC and CV allowed for ascertaining the role played by the spacer length. In particular, the thermal behavior changed dramatically among the members of the bistriflimide family, and all three possible thermal behavior types of ILs were observed. Furthermore, cyclic voltammetry showed different electrochemical window (C₃(C₁BenzIm)₂/2Tf₂N < C₄(C₁BenzIm)₂/2Tf₂N, C₅(C₁BenzIm)₂/2Tf₂N < C₆(C₁BenzIm)₂/2Tf₂N) as well as a reduction peak potential, shape, and intensity as a function of the spacer length. The results obtained highlight the benefit of accessing a more structurally diverse pool of compounds offered by dicationic ILs when compared to the parent monocationic ILs. In particular, gains are to be found in the ease of fine-tuning their properties, which translates in facilitating further investigations toward BDILs as designer solvents and catalysts.     

Quantitative description of the self-assembly of patchy particles into chains and rings

We numerically study a simple fluid composed of particles having a hard-core repulsion complemented by two patchy attractive sites on the particle poles. An appropriate choice of the patch angular width allows for the formation of ring structures which, at low temperatures and low densities, compete with the growth of linear aggregates. The simplicity of the model makes it possible to compare simulation results and theoretical predictions based on the Wertheim perturbation theory, specialized to the case in which ring formation is allowed. Such a comparison offers a unique framework for establishing the quality of the analytic predictions. We find that the Wertheim theory describes remarkably well the simulation results.     

Lower ligand denticity leading to improved thermodynamic and kinetic stability of the Gd3+ complex: the strange case of OBETA

OBETA, OBETA, you bet: Thermodynamic and kinetic measurements show an apparent paradox. The stability of complexes of lanthanide trivalent ions is higher with the heptadentate ligand OBETA (ethylene glycol-bis(2-aminoethyl ether)-N,N,N',N'-tetraacetic acid) than with its octadentate homologue EGTA (2,2'-oxybis(ethylamine)-N,N,N',N'-tetraacetic acid). The unusual properties of Gd(OBETA)(-) (see structure), combined with the presence of two fast exchanging coordinated water molecules, candidates this complex as an MRI contrast agent.