Sintering-driven effects on the band gap of (Pb,La)(Ti,Ni)O3 photovoltaic ceramics

In this work, the influence of the sintering temperature on the physical properties of (Pb_0.8La_0.2)(Ti_0.9Ni_0.1)O₃ (PLT-Ni) ceramics is reported. The experimental data revealed that the energy band gap of PLT-Ni ceramics could be tailored from approximately 2.7 to 2.0 eV by changing the sintering temperature from 1100°C to 1250°C. It is demonstrated that the simple substitution of Ti⁴⁺ by Ni²⁺ cations is effective to decrease the intrinsic band gap while increasing the tetragonality factor and the spontaneous polarization. However, the additional red-shift observed in the absorption edge of the PLT-Ni with increasing the sintering temperature was associated with a continuous increase in the oxygen vacancies () amount. It is believed that the impact of the creation of these thermally induced is manifold. The presence of and Ni²⁺ ions generate the Ni²⁺- defect-pairs that promoted both a decrease in the intrinsic band gap and an additional increase of the tetragonality factor, consequently, increasing the spontaneous polarization. The creation of Ni²⁺- defects also changed the local symmetry of Ni²⁺ ions from octahedral to a square pyramid, thus lifting the degeneracy of the Ni²⁺ 3d orbitals. With the increase in the sintering temperature, lower-energy absorbing intraband states were also formed due to an excess of , being responsible for an add-on shoulder in the absorption edge, extending the light absorption curve to longer wavelengths and leading to an additional absorption in “all investigated” spectrum as well.     

Organo-zincate molten salts as immobilising agents for organometallic catalysis

The combination of 1-n-butyl-3-methylimidazolium chloride with ZnCl₂ affords ionic mixtures with different melting point temperatures depending on the zinc molar fraction. RuCl₂(PPh₃)₃ immobilised in the low melting mixture (60°C) promotes the 1-hexene hydrogenation (turnover frequencies up to 44 min^–1) and the recovered solid catalyst phase can be reused several times.     

Antistatic packaging based on PTT/PTT-g-MA/ABS/MWCNT nanocomposites: Effect of the chemical functionalization of MWCNTs

Polymer/carbon nanotube nanocomposites have attracted high interest for a wide spectrum of applications, including antistatic packaging used to protect electronic devices against electrostatic discharge. Polytrimethylene terephthalate (PTT)/maleic-anhydride-grafted PTT (PTT-g-MA)/acrylonitrile butadiene styrene (ABS) blend-based multiwall carbon nanotubes (MWCNTs) nanocomposites were prepared through extrusion. It was conducted chemical functionalization on the MWCNTs by oxidation using nitric acid to introduce functional groups. The effect of the amount (0.5 or 1.0 wt%) and functionalization of MWCNTs on the nanocomposites was investigated. Despite the poor barrier properties of PTT/PTT-g-MA/ABS/MWCNT nanocomposites due to the presence of voids confirmed by scanning electron microscopy (SEM), the nanocomposites with functionalized MWCNT (MWCNTf) showed excellent barrier properties, indicating that the functionalization process improved the interaction between the MWCNTs and the matrix. The addition of MWCNTs into PTT/PTT-g-MA/ABS blend decreased the electrical resistivity by eight orders of magnitude. The use of MWCNTf may still disrupt the electrical network pathway and slightly decreasing the electrical resistivity, but the nanocomposites present the desired properties required for antistatic packaging.     

Analysis of surface integrity for minimum quantity lubricant—MQL in grinding

The quality of machined components is currently of high interest, for the market demands mechanical components of increasingly high performance, not only from the standpoint of functionality but also from that of safety. Components produced through operations involving the removal of material display surface irregularities resulting not only from the action of the tool itself, but also from other factors that contribute to their superficial texture. This texture can exert a decisive influence on the application and performance of the machined component. This article analyzes the behavior of the minimum quantity lubricant (MQL) technique and compares it with the conventional cooling method. To this end, an optimized fluid application method was devised using a specially designed nozzle, by the authors, through which a minimum amount of oil is sprayed in a compressed air flow, thus meeting environmental requirements. This paper, therefore, explores and discusses the concept of the MQL in the grinding process. The performance of the MQL technique in the grinding process was evaluated based on an analysis of the surface integrity (roughness, residual stress, microstructure and microhardness). The results presented here are expected to lead to technological and ecological gains in the grinding process using MQL.     

A pseudo-spectral scheme for the approximate solution of a time-fractional diffusion equation

We consider an initial-boundary-value problem for a time-fractional diffusion equation with initial condition u₀(x) and homogeneous Dirichlet boundary conditions in a bounded interval [0, L]. We study a semidiscrete approximation scheme based on the pseudo-spectral method on Chebyshev–Gauss–Lobatto nodes. In order to preserve the high accuracy of the spectral approximation we use an approach based on the evaluation of the Mittag-Leffler function on matrix arguments for the integration along the time variable. Some examples are presented and numerical experiments illustrate the effectiveness of the proposed approach.     

Statics Aware Grid Shells

We introduce a framework for the generation of polygonal gridshell architectural structures, whose topology is designed in order to excel in static performances. We start from the analysis of stress on the input surface and we use the resulting tensor field to induce an anisotropic nonEuclidean metric over it. This metric is derived by studying the relation between the stress tensor over a continuous shell and the optimal shape of polygons in a corresponding gridshell. Polygonal meshes with uniform density and isotropic cells under this metric exhibit variable density and anisotropy in Euclidean space, thus achieving a better distribution of the strain energy over their elements. Meshes are further optimized taking into account symmetry and regularity of cells to improve aesthetics. We experiment with quad meshes and hexdominant meshes, demonstrating that our gridshells achieve better static performances than stateoftheart gridshells.     

Portfolio approaches for constraint optimization problems

Within the Constraint Satisfaction Problems (CSP) context, a methodology that has proven to be particularly performant consists of using a portfolio of different constraint solvers. Nevertheless, comparatively few studies and investigations have been done in the world of Constraint Optimization Problems (COP). In this work, we provide a generalization to COP as well as an empirical evaluation of different state of the art existing CSP portfolio approaches properly adapted to deal with COP. The results obtained by measuring several evaluation metrics confirm the effectiveness of portfolios even in the optimization field, and could give rise to some interesting future research.     

Cross level semantic similarity: an evaluation framework for universal measures of similarity

Semantic similarity has typically been measured across items of approximately similar sizes. As a result, similarity measures have largely ignored the fact that different types of linguistic item can potentially have similar or even identical meanings, and therefore are designed to compare only one type of linguistic item. Furthermore, nearly all current similarity benchmarks within NLP contain pairs of approximately the same size, such as word or sentence pairs, preventing the evaluation of methods that are capable of comparing different sized items. To address this, we introduce a new semantic evaluation called cross-level semantic similarity (CLSS), which measures the degree to which the meaning of a larger linguistic item, such as a paragraph, is captured by a smaller item, such as a sentence. Our pilot CLSS task was presented as part of SemEval-2014, which attracted 19 teams who submitted 38 systems. CLSS data contains a rich mixture of pairs, spanning from paragraphs to word senses to fully evaluate similarity measures that are capable of comparing items of any type. Furthermore, data sources were drawn from diverse corpora beyond just newswire, including domain-specific texts and social media. We describe the annotation process and its challenges, including a comparison with crowdsourcing, and identify the factors that make the dataset a rigorous assessment of a method’s quality. Furthermore, we examine in detail the systems participating in the SemEval task to identify the common factors associated with high performance and which aspects proved difficult to all systems. Our findings demonstrate that CLSS poses a significant challenge for similarity methods and provides clear directions for future work on universal similarity methods that can compare any pair of items.     

Knowledge base support for dynamic information system management

Enterprise activities are governed by regulations and laws that are multiple, heterogeneous and not always easy to understand. The arising and/or the modification of these regulations and laws can cause a significant impact in the business context, especially in terms of enterprise information systems adaptation. Currently, there are many methodological and technological tools that facilitate the application of regulations and procedures, but they are not integrated enough to ensure a complete problem management. Therefore, they are not sufficient to support organizations and companies in the management of their business processes. In this paper we propose a methodological and technological solution, able to model, manage, execute and monitor business processes of complex domains. The system allows both the design of an information system and its prototyping as a web application, by the extension of an appropriately selected Business Process Management suite. During both the design and the usage phases of the prototyped information system, it is possible to interface with a knowledge base that contains information about regulations and aspects that characterize the enterprise (organizational chart, tasks, etc.).