Effects of the material gradation on the SIFs of a crack in a 2-D FGM plate under thermal shock

Crack analysis of linear coupled thermoelasticity in two-dimensional, isotropic, non-homogeneous and linear elastic functionally graded materials subjected to thermal shock is performed by using a boundary-domain element method. The material parameters are assumed to be continuous functions of the spatial coordinates. Fundamental solutions of linear coupled thermoelasticity for the corresponding isotropic, homogeneous and linear elastic solids in Laplace-transformed domain are applied in the boundary-domain integral formulation. A collocation method is implemented for the numerical solution. Numerical examples for an exponential gradation of the material parameters are presented and discussed. The influences of the material gradation on the stress intensity factors are investigated. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Thermal expansion of Sn2P2S6 crystals

We present the results for thermal expansion coefficients of Sn₂P₂S₆ crystals determined both in the crystallographic system and the system based on eigenvectors of thermal expansion tensor. Peculiarities of temperature evolution of the indicative surface of thermal expansion tensor for Sn₂P₂S₆ are discussed, including the region of their ferroelectric phase transition.     

Stabilization of polystyrene by styrylquinoline containing methacrylates

Abstract

The thermostability of polysterene with/without new styrylquinoline containing methacrylic fragments has been described in the present work. Polystyrene and copolymers based on styrene and new methacrylic styrylquinoline containing monomers were synthesized by free radical thermoinitiated polymerization in the presence of 2,2′-azobisisobutyronitrile (1?wt%) as initiator at inert atmosphere. The impact of 2-[2-(4-methoxyphenyl)ethenyl]quinolin-8-yl 2-methylpropyl-2-enoate (М1), 2-(2-phenylethenyl)quinolin-8-yl 2-methylpropyl-2-enoate (М2), 2-[2-(4-nitrophenyl)ethenyl]quinolin-8-yl 2-methylpropyl-2-enoate (М3) on thermal stability of polystyrene was investigated. The thermostability of polystyrene and copolymers ST:M1, ST:M2, ST:M3 were studied by dynamic thermograviametric analysis. It was shown that destruction of polystyrene with corresponding units M1-M2 starts at 41–42°С higher, than reference polystyrene.     

The electronic structure and adsorption geometry of L-histidine on Cu(110)

The adsorption of L-histidine on clean and oxygen-covered Cu(110) surfaces has been studied by soft X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The valence band spectra, carbon, nitrogen and oxygen 1 s XPS and N K edge absorption spectra were measured for submonolayer, monolayer, and multilayer films. The spectra provide a detailed picture of the electronic structure and adsorption geometry at each coverage. In the monolayer, the histidine molecules are randomly oriented, in contrast to the submonolayer regime, where the molecules are coordinated to the copper surface with the imidazole functional group nearly parallel to, and strongly interacting with, the surface. The pi*/sigma* intensity ratio in NEXAFS spectra at the nitrogen edge varies strongly with angle, showing the imidazole ring is oriented. Adsorption models are proposed.     

Nitrone cycloadditions to 1,2-diphenylcyclopropenes and subsequent transformations of the isoxazolidine cycloadducts

1,3-Dipolar cycloaddition of C-aryl,N-aryl (or N-methyl) nitrones with a number of 1,2-diphenylcyclopropenes substituted at the C(3) position occurs with the formation of expected "normal" cycloadducts (with N-methylnitrones) and products of their subsequent transformations. Among them are corresponding alpha-acetophenyl aziridines and tetra (or penta) -arylpyrroles. Aziridines and the normal cycloadducts can be also thermally converted to such arylpyrroles with moderate to good yields. Substitution at the C(3( position of cyclopropenes by an electron acceptor group decreases the reactivity of cyclopropenes.     

Unimolecular elimination of HF and HCl from chemically activated CF3CFClCH2Cl

The unimolecular reactions of CF3CFClCH2Cl molecules formed with 87 kcal mol(-1) of vibrational energy by recombination of CF3CFCl and CH2Cl radicals at room temperature have been characterized by the chemical activation technique. The 2,3-ClH and 2,3-FH elimination reactions, which have rate constants of (2.5 +/- 0.8) x 10(4) and (0.38 +/- 0.11) x 10(4) s(-1), respectively, are the major reactions. The 2,3-FCl interchange reaction was not observed. The trans (or E)-isomers of CF3CFCHCl and CF3CClCHCl are favored over the cis (or Z)-isomers. Density functional theory at the B3PW91/6-31G(d',p') level was used to evaluate thermochemistry and structures of the molecule and transition states. This information was used to calculate statistical rate constants. Matching the calculated to the experimental rate constants for the trans-isomers gave threshold energies of 62 and 63 kcal mol(-1) for HCl and HF elimination, respectively. The threshold energy for FCl interchange must be 3-4 kcal mol(-1) higher than for HF elimination. The results for CF3CFClCH2Cl are compared to those from CF3CFClCH3; the remarkable reduction in rate constants for HCl and HF elimination upon substitution of one Cl atom for one H atom is a consequence of both a lower E and higher threshold energies for CF3CFClCH2Cl.     

Separation of Pyrimidine Bases on a HPLC Stationary RP-18 Phase Coated with Calix[4]resorcinarene

Lipophilic calix[4]resorcinarenes, derived from lauryl aldehyde and resorcinol, are strongly adsorbed on the modified silica gel RP-18 for HPLC chromatography, while their solutions are passed through the column. The calix[4]resorcinarene-coated RP-18 phases were found to be useful beds for HPLC separation of uracil, thymine and cytosine.     

Novel network polymers based on calixresorcinarenes

The novel network polymers 2a-2d based on calix[4]resorcinarene derivatives were obtained with yields 2a: 80%, 2b: 90%, 2c: 70%, 2d: 70%. Polymers 2a and 2b containing fragments of tetramethylcalix[4]resorcinarene or tetraphenylcalix[4]resorcinarene as a repeating units were synthesized by condensation cis-tetramethylcalix[4]resorcinarene or cis-tetraphenylcalix[4]resorcinarene with formaldehyde. Polymers 2c and 2d containing fragments of furylcalix[4]resorcinarene were obtained by condensation of formaldehyde with products of calix[4]resorcinarene and furfural interaction. The IR spectra and sorption properties of the polymers were researched. It is found out that 2a-2d can participate in the cation-exchange reaction.     

Material issues for construction of organic and polymeric driving circuits for display and electronic applications

Organic and polymeric driving circuits may be a possible alternative to realize low cost flexible and large area flat panel displays. Recent efforts have been directed to the discovery of solution processable polymeric semiconductors for the ease of fabrication and low cost. In this paper, we report the investigation of various 3‐substituted regioregular polythiophenes as active semiconductors for field‐effect transistors. The best transistor performance has been found with regioregular poly(3‐heaxylthiophene). The difference in their device performance was correlated to the structure and morphological behavior of these regioregular polythiophenes.     

Partial Sn‐atom ordering in Sm3Ga0.80–2.48Sn4.20–2.52

Trisamarium digallide tristannide crystallizes with a partially ordered Pu₃Pd₅‐type structure in space group Cmcm. In a single crystal of Sm₃Ga_1.89(4)Sn_3.11(4), the 8g position is mostly occupied by Sn atoms (93% Sn and 7% Ga), while the 4c and 8f positions are occupied by a Ga/Sn statistical mixture. The evolution of the structure as a function of the Ga content has been studied by X‐ray powder diffraction on ten Sm₃Ga_5−xSn_x samples. It is shown that the 8g position remains occupied essentially exclusively by Sn atoms within the whole homogeneity range, with x ranging from 2.52 to 4.20.