On one possibility of determining the atom position in the crystal unit cell

The possibility of the determination of the position of an atom incorporated in the crystal unit cell by measuring the yield of characteristic radiation of this atom, excited by an X-ray wave nonuniform over the cell cross section, is shown. Such a wave can appear, in particular, in the mode of dynamical diffraction of an ordinary plane wave.     

Indentation-induced deformations of GaAs(011) at a high temperature

Indentation tests were performed at a high temperature on GaAs(011). This orientation allowed the activation of normal and inclined slip systems. Samples with two different thicknesses were prepared and a large range of loads was used. Observations on decreasing scales were carried out using different microscopies and more particularly transmission electron microscopy on thin foils prepared by the focused-ion-beam technique. The back side of the thinnest samples could be deformed using the highest loads. The deformation was observed to be anisotropic on the back side as well as at the indented surface. On one side of the indentation, an anisotropic climb of matter was revealed and associated with microtwinning development. Convergent-beam electron diffraction as well as chemical etching allowed us to determine rigorously the polarity of the samples and the character of dislocations ( for g) generated by the indenter. The dislocations extending deeper into the samples were determined to be fdislocations. This result was discussed in view of the difference between the core reconstructions and mobilities of fand gdislocations.     

Uncertainty quantification in a chemical system using error estimate-based mesh adaption

This paper describes a rigorous a posteriori error analysis for the stochastic solution of non-linear uncertain chemical models. The dual-based a posteriori stochastic error analysis extends the methodology developed in the deterministic finite elements context to stochastic discretization frameworks. It requires the resolution of two additional (dual) problems to yield the local error estimate. The stochastic error estimate can then be used to adapt the stochastic discretization. Different anisotropic refinement strategies are proposed, leading to a cost-efficient tool suitable for multi-dimensional problems of moderate stochastic dimension. The adaptive strategies allow both for refinement and coarsening of the stochastic discretization, as needed to satisfy a prescribed error tolerance. The adaptive strategies were successfully tested on a model for the hydrogen oxidation in supercritical conditions having 8 random parameters. The proposed methodologies are however general enough to be also applicable for a wide class of models such as uncertain fluid flows.     

Unexpected formation of dinaphthoaza-17-crown-5 ether containing γ-aminopiperidine subunit

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Physics and chemistry of silicene nano-ribbons

We review our recent discovery of silicene in the form of silicon nano-ribbons epitaxially grown on silver (1 1 0) or (1 0 0) surfaces, which paves the way for the growth of graphene-like sheets. We further draw some perspectives for this unique novel material upon mild hydrogenation.     

COMPORTEMENT COMPARE DE L'EPICHLORHYDRINE,DE L'EPIBROMHYDRINE ET DE LEURS HOMOLOGUES VIS A VIS DU METHYLENETRIPHENYLPHOSPHORANE

Abstract

Condensation of methylenetriphenylphosphorane with epihalohydrines (X = Cl or Br) leads to 2,2-dihydro-2,2,2,-triphenyl-3,4-methano-1,2-oxaphospholane. The first step of this reaction depends on the nature of the halogene: a) attack on the epoxide group with X = Cl; b) attack on the halogenated function when X = Br. With 1-halogeno 2,3-epoxy butanes the reaction occurs according to b) and gives 2,2-dihydro-2,2,2-triphenyl-3,4-methano-5-methyl-1,2-oxaphospholane.