Du discret au continu pour des modèles de réseaux aléatoires d'atomes

We study in this Note the continuum (macroscopic) limit for some atomistic models for crystals. The purpose is to derive densities of mechanical energies from microscopic models. In contrast to the setting of a previous study, where the microscopic structure was assumed to be periodic, it is modelled here by a stochastic lattice, which enjoys some stationarity and ergodicity properties, following notions previously introduced elsewhere. To cite this article: X. Blanc et al., C. R. Acad. Sci. Paris, Ser. I 342 (2006).     

Silicon etching in Cl2 environment

The ion-beam-assisted etching of silicon in Cl₂ environment is considered. The theoretically calculated dependences of silicon etching rate on the flux of Cl₂ molecules at different ion current densities are compared with experimentally measured. The composition of the adsorbed layer is determined. It is found that SiCl₂ molecules prevail in the adsorbed layer. The reciprocal of relative concentration of SiCl₂ molecules in the adsorbed layer linearly depends on the ion-to-neutral flux ratio.     

Cauchy-Born Rule and the Stability of Crystalline Solids： Dynamic Problems

We study continuum and atomistic models for the elastodynamics of crystalline solids at zerotemperature.We establish sharp criterion for the regime of validity of the nonlinear elastic wave equationsderived from the well-known Cauchy-Born rule.     

Trace element concentrations from São Francisco River - PR analyzed with PIXE technique

Summary Kulcsszavak (angolul, ha nem azonos az elozovel)     

A new approach towards peptidosulfonamides: synthesis of potential inhibitors of bacterial peptidoglycan biosynthesis enzymes MurD and MurE

Peptidosulfonamides are an emerging group of peptidomimetics with a variety of applications in medicinal chemistry. We present a novel approach to the synthesis of peptidosulfonamides, and apply it to a series of new potential inhibitors of the bacterial peptidoglycan biosynthesis enzymes MurD and MurE. The synthesis was conducted via N-phthalimido β-aminoethanesulfonyl chlorides, which are new building blocks for the synthesis of peptidosulfonamides. In the most crucial step, sulfonic acids or their sodium salts were converted into the corresponding sulfonyl chlorides using an excess of either SOCl₂ or SOCl₂/DMF, and then coupled to the C-protected amino acid. None of the compounds significantly inhibited MurD, however, some inhibited MurE; one had an IC₅₀ below 200 μM, which constitutes a promising starting point for further development. Molecular modelling simulations were performed on two analogues to investigate the absence of inhibitory activity of the sulfonamide compounds on MurD.     

绝缘层上半导体多晶膜激光再结晶临界条件

从理论的角度分析了绝缘衬底对其上面半导体多晶膜激光熔化再结晶过程的影响, 发现低导热的绝缘层使产生固一液相变的临界激光功率有明显的降低.用喇曼光谱测量了激光再结晶SOI层中的应力. 应力的出现是多晶膜内曾经发生过固一液相的佐证.从这一思想出发, 对LPCVD方法制备的大量SOI 样品进行激光再结晶临界条件的研究, 证明了忽略绝缘层低热导影响的模型不能解释实验结果, 而经过修正的公式则可以较好地拟合实验结果, 关键词：     

Spectroscopic and Structural Study of the 1：2 Aluminium（Ⅲ） Complex of Quercetin

Complex formation between aluminium and quercetin（Q） in methanol was investigated by means of 27^Al solid-state, 13^C and 1^H NMR and MS（ESI）, UV and IR spectra. Formation of the 1：2 complex was favored in methanol relative to all other solvent and the predominant species observed of Al（Ⅲ） has a 1：2 stoichiometry. The fine structure of 1：2 aluminum complex of quercetin was that the aluminum central atom chelated with two quereetin molecules and two methoxyl groups between two five membered rings, its coordination is six, the chelated site was 3-hydroxy-4-carbonyl.