Influence of fillers concentration on electrical properties of polystyrene matrix doped by gold nanoparticles and 8HQ

The analysis of the electrical properties of polystyrene films containing gold nanoparticles capped with 1-dodecanethiol and 8-hydroxyquinoline molecules is reported. The conductivity of the nanocomposite as a function of the doping level has been investigated both in planar and stacked configurations. While the former configuration evidenced low field tunneling between nanoparticles in the polymer matrix, stacked devices allowed us to investigate the main phenomena ruling the transport properties when switching effects are present close to critical electric fields. In particular, through the analysis of current-voltage characteristics we studied the charge transport at different fillers concentrations and sketched a physical picture of conductivity in such nanocomposite systems.     

A remark on an integral characterization of the dual of BV

In this paper, we show how under the continuum hypothesis one can obtain an integral representation for elements of the topological dual of the space of functions of bounded variation in terms of Lebesgue and Kolmogorov–Burkill integrals.     

A reduction approach for determining generalized simple waves

A reduction approach is developed in order to construct generalized simple wave solutions to quasilinear nonhomogenous hyperbolic systems of first order PDEs. The solutions sought must possess a special ansatz which permits time-evolution of the profile of a simple wave due to a source-like term. These solutions involve a free function which can be used to fit classes of initial or boundary value problems. By means of the proposed approach two governing models of interest in a variety of applications are investigated. Model constitutive laws consistent with the full reduction process are obtained and the occurence of singularities at a finite time for the resulting solutions is analysed. Furthermore a comparison is made between the results obtained within the present theoretical framework and the standard simple wave solutions of the corresponding homogeneous (source free) governing models.     

Thermodynamics of the early stages in homogeneous ziegler-natta polymerization: Density functional calculations on model systems TiCl2R+ and ZrCl2R+

The ethylene polymerization enthalpy, calculated through quantum-mechanical ab-initio methods on model systems of homogeneous Ziegler-Natta cationic catalysts, is reported to be from two to three times greater than the experimental value of 22,3 kcal/mol. In this paper we analyze the origin of this discrepancy and show that it is mainly due to the intrisnic instability of the cationic system in vacuum. We also demonstrate that the growing polymer chain can act as a quite efficient stabilizing agent. We examined, through density functional calculations, the model systems MCl₂R⁺, where M = Ti, Zr and R = CH₃, C₃H₇, C₅H₁₁, C₇H₁₅ and their analogues obtained by neutralizing the positive charge with a chloride anion. On the basis of our computational results, we found that: (i) for the ideal reaction of ethane with ethylene to give butane, considered as a thermodynamical model of the single insertion step, the calculated enthalpy value of 35,6 kcal/mol is in closer agreement with the experimental value and is taken as theoretical reference value; (ii) the same value is obtained also for the neutral systems MCl₃R independently of the nature of the metal and of the alkyl chain length; (iii) for cationic systems, when R = CH₃, high insertion enthalpies are obtained in agreement with the calculated values reported in literature, but, for R = C₃H₇, C₅H₁₁ and C₇H₁₅, the insertion enthalpy remarkably decreases converging towards the theoretical reference value. We conclude that the high enthalpy value obtained for the first monomer insertion is not only a mere consequence of the computational method, but is mainly due to the weak stabilizing effect of the methyl group. A longer alkyl chain produces a stabilization of the cationic system through the inductive effect as well as through formation of agostic bonds. This leads us to formulate the hypothesis that, in real polymerization conditions, the role of a stabilizing agent, which is mainly played by the counterion in the early stages of the propagation reaction, could be performed by the growing chain as the polymerization proceeds.     

A density matrix variational calculation for atomic Be

The ground-state energy of the beryllium atom is calculated using a variational procedure in which the elements of the two-body reduced density matrix (particle–particle matrix) are the variational parameters. It is shown that, for this problem and with the limited number of spin-orbitals used, the trace condition and the simultaneous nonnegativity conditions on the particle–particle, the particle–hole, and the hole–hole matrices form a complete solution to the N-representability problem. The energy obtained is – 14.61425 a.u., practically identical to the value given by a configuration interaction calculation which uses the same states. The effects of weakening the nonnegativity conditions on each of the matrices in turn were also explored.     

A regularization for discontinuous differential equations with application to state-dependent delay differential equations of neutral type

We consider a regularization for a class of discontinuous differential equations arising in the study of neutral delay differential equations with state dependent delays. For such equations the possible discontinuity in the derivative of the solution at the initial point may propagate along the integration interval giving rise to so-called “breaking points”, where the solution derivative is again discontinuous. Consequently, the problem of continuing the solution in a right neighborhood of a breaking point is equivalent to a Cauchy problem for an ode with a discontinuous right-hand side (see e.g. Bellen et al., 2009 [4]). Therefore a classical solution may cease to exist.The regularization is based on the replacement of the vector-field with its time average over an interval of length ε>0. The regularized solution converges as ε→⁰⁺ to the classical Filippov solution (Filippov, 1964, 1988 [13] and [14]). Several properties of the solutions corresponding to small ε>0 are presented.     

<Emphasis Type="Italic">L</Emphasis>(<Emphasis Type="Italic">h</Emphasis>, 1, 1)-labeling of outerplanar graphs

An L(h, 1, 1)-labeling of a graph is an assignment of labels from the set of integers {0, . . . , λ} to the nodes of the graph such that adjacent nodes are assigned integers of at least distance h ≥ 1 apart and all nodes of distance three or less must be assigned different labels. The aim of the L(h, 1, 1)-labeling problem is to minimize λ, denoted by λ _{h, 1, 1} and called span of the L(h, 1, 1)-labeling. As outerplanar graphs have bounded treewidth, the L(1, 1, 1)-labeling problem on outerplanar graphs can be exactly solved in O(n ³), but the multiplicative factor depends on the maximum degree Δ and is too big to be of practical use. In this paper we give a linear time approximation algorithm for computing the more general L(h, 1, 1)-labeling for outerplanar graphs that is within additive constants of the optimum values. This research is partially supported by the European Research Project Algorithmic Principles for Building Efficient Overlay Computers (AEOLUS) and was done during the visit of Richard B. Tan at the Department of Computer Science, University of Rome “Sapienza”, supported by a visiting fellowship from the University of Rome “Sapienza”.     

Direct measurement of the double emittance minimum in the beam dynamics of the sparc high-brightness photoinjector

In this Letter we report the first experimental observation of the double emittance minimum effect in the beam dynamics of high-brightness electron beam generation by photoinjectors; this effect, as predicted by the theory, is crucial in achieving minimum emittance in photoinjectors aiming at producing electron beams for short wavelength single-pass free electron lasers. The experiment described in this Letter was performed at the SPARC photoinjector site, during the first stage of commissioning of the SPARC project. The experiment was made possible by a newly conceived device, called an emittance meter, which allows a detailed and unprecedented study of the emittance compensation process as the beam propagates along the beam pipe.