Vibration of a pre-constrained elastic thin shell I: Modeling and regularity of the solutionsVibration d'une coque élastique mince pré-contrainte I

We study the vibration of an elastic thin shell which is pre-constrained by a large displacement with a small deformation. In this first Note we prove the solutions exist and we investigate both the interior regularity and the boundary regularity which is known to be important in the shape differentiation of hyperbolic equations. To cite this article: J. Cagnol, J.-P. Zolésio, C. R. Acad. Sci. Paris, Ser. I 334 (2002) 161–166     

The Linear Rational Pseudospectral Method with Preassigned Poles

We present a linear rational pseudospectral (collocation) method with preassigned poles for solving boundary value problems. It consists in attaching poles to the trial polynomial so as to make it a rational interpolant. Its convergence is proved by transforming the problem into an associated boundary value problem. Numerical examples demonstrate that the rational pseudospectral method is often more efficient than the polynomial method.     

Discussion of “Second order topological sensitivity analysis” by J. Rocha de Faria et al.

The aim of this discussion is to expose incorrect results in a previous IJSS article.     

Solutions rationnelles de certaines équations fonctionnelles

Dans cet article, nous démontrons essentiellement les deux résultats suivants, qui montrent que les solutions séries formelles à coefficients dans de certaines équations fonctionnelles sont rationnelles. Soient tout d'abords un entier naturel non nul, eta _i ,b _i ,(i = 1, , s), 2s nombres complexes, lesa _i étant non nuls. On définit l'ensembleA comme étant l'intersection des parties de , contenant l'origine et stables par toutes les applicationsg _i (x) = a _i x + b _i . On a alors le résultat suivant: Théorème 1.Soient f, R ₁, ,R _s s + 1 fractions rationnelles de (x), régulières à l'origine, et a_i, b_i (i = 1,, s), 2s éléments de . On suppose que les a_i sont non nuls et de module strictement inférieur à un pour tout i = 1,, s. Soit y(x) un élément de [[x]], vérifiant l'équation fonctionnelle

Photochemical expulsion of the neutral monodentate ligand L in Ru(terpy*)(diimine)(L)2+: a dramatic effect of the steric properties of the spectator diimine ligand

A series of photoreactive complexes of the type Ru(terpy*)(N-N)(L)(2+), where terpy* is 4'-(3,5-ditertiobutylphenyl)-2,2':6',2' '-terpyridine, N-N is the bidentate chelate phen or dmp (phen = 1,10-phenanthroline, dmp = 2,9-dimethyl-1,10-phenanthroline), and L is the monodentate ligand dms, MeBN, or MeOBN (dms = dimethyl sulfide, MeBN = 2,6-dimethyl benzonitrile, MeOBN = 2,6-dimethoxybenzonitrile), has been synthesized and fully characterized by proton NMR spectroscopy, electrospray mass spectrometry, and UV-vis spectroscopy. The X-ray structures of four complexes were also obtained. In neat pyridine, the quantum yields for the photosubsitution of L by pyridine were measured and showed dramatic variations depending on the steric interactions between the spectator bidentate ligand and the leaving monodentate ligand L. The use of dmp instead of phen multiplied the photosubstitution efficiency by a factor of 20-50, depending on L. This effect could be qualitatively correlated to the distortions observed in the X-ray structures of the corresponding complexes. The highly distorted structure of Ru(terpy)(dmp)(dms)(PF(6))(2) showed a very high photosubsitution quantum yield phi = 0.36 in neat pyridine. The high photoreactivity of some of the compounds makes them particularly promising as components of future light-driven molecular machines.     

AB initio study of the regular polyhedral molecules N4, P4, As4, N8, P8 and As8

Ab initio pseudopotential SCF calculations were performed on tetrahedral X₄ molecules using double-zeta basis sets with and without d functions. The inclusion of d orbitals shortens the bond lengths, stabilizes the X₄ structures and intensifies the electron density inside the tetrahedron. The cubic X₈ molecules, calculated without d AOs, are not predicted to be more stable than 2X₄. Repulsions between parallel bonds in X₈ may compensate the lack of ring strain.     

Enzymatic synthesis of neopentylpolyol esters in organic media

Utilization of lipases for synthesis of esters of hydrophilic polyols has been investigated. The choice of a suitable solvent is crucial in this type of reaction. An interesting case is fatty acid esters from neopentylpolyols, such as trimethylolpropane, which are of great interest as high temperature lubricants. Enzymatic synthesis of trimethylolpropane tricaprylate was studied as an alternative to chemical manufacturing. Triester production occurred only if the water produced by esterification was continuously removed from the medium. In these condition, kinetics of appearance and transformation of mono-, di- and triesters were determined in order to define optimal conditions.