Optimization the shape of finite element in shot peening process

This paper contains modelling and numerical simulations of shot peening process. The application in Ansys/LS – Dyna programme were elaborated. The phenomena of shot peening process on a typical incremental step were described using a step-by-step incremental procedure, with an updated Lagrangian formulation.Finite elements methods (FEM) and the dynamic explicit method (DEM) were used to obtain the solution. The main purpose of this article is to determinate optimal model of shot peening process (convergence resulting for minimal number of finite elements and their optimal shapes). Examples of calculations were presented. (© 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Enhancement of two-photon emission in photonic crystals

We report the influence of photonic stopgaps on two-photon excited emission from highly efficient nonlinear chromophores infiltrated into high-quality photonic crystals. We have observed a sharp decrease (filter effect) in emission within the frequency range and direction of the stopgap as well as sharp enhancement of the two-photon excited emission associated with the stopgap's edge. This effect may be important for the development of low-threshold upconversion lasers.     

Thermoreflectance of IV–VI compounds

We have measured thermoreflectance spectra of epitaxial PbS, PbSe, PbTe, and SnTe films from 0.7 to 5.6 eV, at room temperature and 77 K. Fine structures associated with the usual reflectivity peaks are observed, most of which agree in spectral position with electric field and wavelength modulation results. Δε_r and Δε_i have been obtained through a Kramers-Kronig analysis of our Δ R/R spectra. In the absence of experimental symmetry information, tentative assignments are made based on (1) comparison of temperature coefficients with theoretical deformation potentials, (2) comparison of δε curves with theoretical lineshapes, and (3) matching the structures with existing band structure calculations and related information.     

Interfacial behavior of ACORGA CLX-50 and surface kinetics of copper extraction

Interfacial tension isotherms were determined and interpreted for ACORGA CLX-50. The hydration of extractant molecules in aqueous solution and at hydrocarbon/water interfaces was studied by molecular modelling. The usefulness of this technique to interpret the adsorption behavior was demonstrated. The interfacial kinetics was considered and relationships for various models of interfacial mechanism were derived and discussed. Despite its high hydrophobicity, ACORGA CLX 50 strongly adsorbs at the hydrocarbon/water interfaces and thus decreases effectively the interfacial tension. This high interfacial activity of ACORGA CLX 50 can be explained by the formation of hydrates. The interfacial tension isotherm can be well matched with the Szyszkowski equation. Molecular modelling suggests that ACORGA CLX 50 adsorbs at the hydrocarbon/water interface probably as a tetrahydrate containing two water molecules bonded to the same carbonyl oxygen atom (e.g., at position 3), one water molecule bonded to the oxygen atom of the second alkoxyl group (i.e., at position 5 when the hydration of carbonyl oxygen at position 3 is previously considered) and, finally, one water molecule bonded with the pyridine nitrogen atom. Positions 3 and 5 are equivalent. It is also shown that when the extraction of copper takes place in the kinetic regime, the reaction order with respect to ACORGA CLX 50 can change depending on the limiting step and the range of extractant concentration considered. Thus, a decrease of the extractant concentration from 10^?5M to 3·10^?3M causes a fall of the order with respect to ACORGA CLX 50 from 1 to 0 and 2 to 1 when the formation of the intermediate 1∶1 and final 2∶1 complexes are considered to be the limiting step, respectively.     

Photo-degradation of poly(neopentyl isophthalate). Part II: Mechanism of cross-linking

The mechanism of cross-linking of poly(neopentyl isophthalate) (PNI) by photo-degradation in nitrogen atmosphere was investigated. The exposure of PNI to UV light resulted in gel (insoluble material) formation. The gel material was collected and the morphology of the gel material was characterized with SEM. The gel has the highest density near the coating surface. To obtain information on the cross-linking at a molecular level the gel was decomposed by methanolysis and the decomposition products were analysed with LC-MS. Besides the expected “grafting” types of cross-links (phenyl-to-phenyl coupling) also “chain coupling” types of cross-links were detected (recombination of neopentyl glycol based moieties). Analysis of samples that had been exposed to UV light in air indicates that the phenyl-to-phenyl coupling also occurs in the presence of oxygen.     

Advances in Star‐Shaped π‐Conjugated Systems: Properties and Applications

Until recently π‐conjugated organic materials are based mainly on linear systems. Recent years, however, have brought about increasing interest in molecules boasting a dendritic, branched, or star‐shaped architecture. This tendency is a direct result of the ongoing search for materials with progressively better properties. Such compounds, featuring novel, 3D architectures, exhibit a multitude of interesting qualities, making them stand out from well‐known materials. The direction of star‐shaped compound application is determined by whether they are able to form aggregates, π‐stacks. This feature is a source of some astounding properties, coveted in numerous applications. Among this class of compounds high charge mobility, high fluorescence efficiency, and good charge separation are all found. Depending on the structure of the core, the molecule may adopt various types of symmetry. Similarly, the conjugation of orbitals may extend over the whole structure or be interrupted at chosen segments. The number of papers pertaining to star‐shaped oligomers and polymers is ascending with each year, evidencing a growing interest in them. Consequently, this Review focuses particularly on the most recent reports concerning modification of the structure and properties of the aforementioned type of compounds, as well as on the development of devices based on them.

     

Synthesis of Cyano‐Substituted Diaryltetracenes from Tetraaryl[3]cumulenes

A versatile, two‐step synthesis of highly substituted, cyano‐functionalized diaryltetracenes has been developed, starting from easily accessible tetraaryl[3]cumulenes. This unprecedented transformation is initiated by [2+2] cycloaddition of tetracyanoethylene (TCNE) to the proacetylenic central double bond of the cumulenes to give an intermediate zwitterion, which after an electrocyclization cascade and dehydrogenation yields 5,5,11,11‐tetracyano‐5,11‐dihydrotetracenes in a one‐pot procedure. A subsequent copper‐assisted decyanation/aromatization provided the target 5,11‐dicyano‐6,12‐diaryltetracene derivatives. All of the postulated structures were confirmed by X‐ray crystallography. The new chromophores are thermally highly stable and feature promising fluorescence properties for potential use in optoelectronic devices. They are selective chemosensors for Cu^I ions, which coordinate to one of the CN substituents and form a 1:1 complex with an association constant of K_a=1.5×10⁵ L mol^?1 at 298 K.