Dual formation of carpets of large carbon nanofibers and thin crystalline carbon nanotubes from the same catalyst-underlayer system

A dense, micron-tall layer of carbon nanofibers (CNFs) was grown above a layer of carbon nanotubes (CNTs) during the same synthesis using a thick cobalt catalyst (15 nm). The CNFs had large diameters (100 nm) and were amorphous while the CNTs had small diameter (10–20 nm) and were crystalline. Base growth mechanism was at play for both the nanofibers and the nanotubes. High-resolution transmission electron microscopy characterization suggested that the main mechanisms leading to the growth of the two structures were based on the dewetting of the catalyst layer and its subsequent alloying with the Ta underlayer. We can extend these principles to grow diverse carbon nanostructures during the same synthesis using appropriate multilayer thin films for different applications, especially for electrochemical cells and supercapacitors.     

Modeling and biological investigations of an unusual behavior of novel synthesized acridine-based polyamine ligands in the binding of double helix and G-quadruplex DNA

Three novel 2,7-substituted acridine derivatives were designed and synthesized to investigate the effect of this functionalization on their interaction with double-stranded and G-quadruplex DNA. Detailed investigations of their ability to bind both forms of DNA were carried out by using spectrophotometric, electrophoretic, and computational approaches. The ligands in this study are characterized by an open-chain (L1) or a macrocyclic (L2, L3) framework. The aliphatic amine groups in the macrocycles are joined by ethylene (L2) or propylene chains (L3). L1 behaved similarly to the lead compound m-AMSA, efficiently intercalating into dsDNA, but stabilizing G-quadruplex structures poorly, probably due to the modest stabilization effect exerted by its protonated polyamine chains. L2 and L3, containing small polyamine macrocyclic frameworks, are known to adopt a rather bent and rigid conformation; thus they are generally expected to be sterically impeded from recognizing dsDNA according to an intercalative binding mode. This was confirmed to be true for L3. Nevertheless, we show that L2 can give rise to efficient π-π and H-bonding interactions with dsDNA. Additionally, stacking interactions allowed L2 to stabilize the G-quadruplex structure: using the human telomeric sequence, we observed the preferential induction of tetrameric G-quadruplex forms. Thus, the presence of short ethylene spacers seems to be essential for obtaining a correct match between the binding sites of L2 and the nucleobases on both DNA forms investigated. Furthermore, current modeling methodologies, including docking and MD simulations and free energy calculations, provide structural evidence of an interaction mode for L2 that is different from that of L3; this could explain the unusual stabilizing ability of the ligands (L2>L3>L1) toward G-quadruplex that was observed in this study.     

Structural Changes in EPDM Subjected to Ageing in High Voltage Transmission Lines

This work presents a study of the structural changes in aged EPDM (ethylene-propylene-diene monomer) from outdoor high voltage transmission lines. Samples were taken from failed and non-failed insulators after up to ten years in service on a 33 kV line. Infrared absorption, hydrophobicity index, dynamical mechanical analysis (DMA) and dielectric relaxation (DR) were employed as experimental techniques. The same experimental techniques were also applied to new samples of EPDM that were subjected to high electric fields (up to 14 kV/mm) for several hours. Results from DMA and DR techniques are in good agreement and, together with previous results from neutron irradiation techniques, suggest that the experimental data obtained from outdoor-aged and laboratory tested samples may be explained by a decrease in the degree of crystallinity due to the interaction between electrical and mechanical effects in the dielectric. The proposed model is based on the disentanglement of the crystallites by forces originated in the interaction of the electric field with the polar groups located in the amorphous phase of the polymer matrix. An alternative explanation, based on a relaxation process appearing at the interfaces between the filler (ATH) and the polymer matrix conflicts with several experimental results presented in this work.     

Membrane Systems with Marked Membranes

Membrane computing is a biologically inspired computational paradigm. Motivated by brane calculi we investigate membrane systems which differ from conventional membrane systems by the following features: (1) biomolecules (proteins) can move through the regions of the systems, and can attach onto (and de-attach from) membranes, and (2) membranes can evolve depending on the attached molecules. The evolution of membranes is performed by using rules that are motivated by the operation of pinocytosis (the pino rule) and the operation of cellular dripping (the drip rule) that take place in living cells. We show that such membrane systems are computationally universal. We also show that if only the second feature is used then one can generate at least the family of Parikh images of the languages generated by programmed grammars without appearance checking (which contains non-semilinear sets of vectors). If, moreover, the use of pino/drip rules is non-cooperative (i.e., not dependent on the proteins attached to membranes), then one generates a family of sets of vectors that is strictly included in the family of semilinear sets of vectors. We also consider a number of decision problems concerning reachability of configurations and boundness.     

On the convergence of 3D free discontinuity models in variational fracture

Free discontinuity problems arising in the variational theory for fracture mechanics are considered. A Γ -convergence proof for an r-adaptive 3D finite element discretization is given in the case of a brittle material. The optimal displacement field, crack pattern and mesh geometry are obtained through a variational procedure that encompasses both mechanical and configurational forces. Possible extensions to cohesive fracture and quasi-static evolutions are discussed.     

How “Authentic Intentionality” can be Enabled: a Neurocomputational Hypothesis

According to John Haugeland, the capacity for “authentic intentionality” depends on a commitment to constitutive standards of objectivity. One of the consequences of Haugeland’s view is that a neurocomputational explanation cannot be adequate to understand “authentic intentionality”. This paper gives grounds to resist such a consequence. It provides the beginning of an account of authentic intentionality in terms of neurocomputational enabling conditions. It argues that the standards, which constitute the domain of objects that can be represented, reflect the statistical structure of the environments where brain sensory systems evolved and develop. The objection that I equivocate on what Haugeland means by “commitment to standards” is rebutted by introducing the notion of “florid, self-conscious representing”. Were the hypothesis presented plausible, computational neuroscience would offer a promising framework for a better understanding of the conditions for meaningful representation.     

Multidisciplinary shape optimization of ductile iron castings by considering local microstructure and material behaviour

During the casting process and solidification of ductile iron castings, a heterogeneous microstructure is formed throughout the casting. This distribution is strongly influenced by the item geometry and the process related factors, as chemical composition and local solidification conditions. Geometrical changes to the geometry of the casting thus alters the local mechanical behavior and properties, as well as the distribution of stresses and strains when the casting is subjected to load. In order to find an optimal geometry, e.g. with reduced weight and increased load-bearing capacity, this interdependency between geometry and local material behavior needs to be considered and integrated into the optimization method. In this contribution, recent developments in the multidisciplinary integration of casting process simulation, solidification and microstructure modelling, microstructure-based material characterization, finite element structural analyses with local material behavior and structural optimization techniques are presented and discussed. The effect and relevance of considering the local material behavior in shape optimization of ductile iron castings is discussed and evidenced by an industrial application. It is shown that by adopting a multidisciplinary optimization approach by integration of casting simulation and local material behavior into shape optimization, the potential of the casting process to obtain components with high performance and reliability can be enabled and utilized.     

Building linked ontologies with high precision using subclass mapping discovery

The creation of links between schemas of published datasets is a key part of the Linked Open Data (LOD) paradigm. The ability to discover these links “on the go” requires that ontology matching techniques achieve good precision and recall within acceptable execution times. In this paper, we add similarity-based and mediator-based ontology matching methods to the Agreementmaker ontology matching system, which aim to efficiently discover high precision subclass mappings between LOD ontologies. Similarity-based matching methods discover subclass mappings by extrapolating them from a set of high quality equivalence mappings and from the interpretation of compound concept names. Mediator-based matching methods discover subclass mappings by comparing polysemic lexical annotations of ontology concepts and by considering external web ontologies. Experiments show that when compared with a leading LOD approach, Agreementmaker achieves considerably higher precision and F-measure, at the cost of a slight decrease in recall.     

Deductive verification of alternating systems

Alternating systems are models of computer programs whose behavior is governed by the actions of multiple agents with, potentially, different goals. Examples include control systems, resource schedulers, security protocols, auctions and election mechanisms. Proving properties about such systems has emerged as an important new area of study in formal verification, with the development of logical frameworks such as the alternating temporal logic ATL*. Techniques for model checking ATL* over finite-state systems have been well studied, but many important systems are infinite-state and thus their verification requires, either explicitly or implicitly, some form of deductive reasoning. This paper presents a theoretical framework for the analysis of alternating infinite-state systems. It describes models of computation, of various degrees of generality, and alternating-time logics such as ATL* and its variations. It then develops a proof system that allows to prove arbitrary ATL* properties over these infinite-state models. The proof system is shown to be complete relative to validities in the weakest possible assertion language. The paper then derives auxiliary proof rules and verification diagrams techniques and applies them to security protocols, deriving a new formal proof of fairness of a multi-party contract signing protocol where the model of the protocol and of the properties contains both game-theoretic and infinite-state (parameterized) aspects.     

Formal verification of security protocol implementations: a survey

Automated formal verification of security protocols has been mostly focused on analyzing high-level abstract models which, however, are significantly different from real protocol implementations written in programming languages. Recently, some researchers have started investigating techniques that bring automated formal proofs closer to real implementations. This paper surveys these attempts, focusing on approaches that target the application code that implements protocol logic, rather than the libraries that implement cryptography. According to these approaches, libraries are assumed to correctly implement some models. The aim is to derive formal proofs that, under this assumption, give assurance about the application code that implements the protocol logic. The two main approaches of model extraction and code generation are presented, along with the main techniques adopted for each approach.