Fullerohelicates: a new class of fullerene-containing supermolecules

A multicomponent array made of a bis-copper(I) helicate core and two peripheral fullerene subunits has been prepared and electron transfer from the photoexcited Cu(I)-complexed unit to C60 occurs.     

Corps euclidiens,unités exceptionnelles et courbes elliptiques

Lenstra [Invent. Math.36 (1977), 237–254] has proved that a number field possessing sequences of integers whose differences are units, having a big enough length with respect to the discriminant of the field, is Euclidean. In this paper, we use this result to construct some new Euclidean fields; suitable sequences are obtained by using points of finite order on some elliptic curves.     

Crystal engineering of urea alpha-network via I...O2N synthon and design of SHG active crystal N-4-iodophenyl-N'-4'-nitrophenylurea

Crystalline nitrodiphenyl ureas adopt the N-H...O tape alpha-network only when stabilization accrues from the I...O(2)N or C[triple bond]C-H...O(2)N synthon, otherwise the ureanitro motif is preferred; soft, weak interactions can direct polar self-assembly in strong N-HO hydrogen-bonded crystals.     

Assessment of the nature of interactions of cations with cycloheptatriene derivatives using change in the aromaticity: Comparison with electron density and NBO results

ABSTRACT

Interactions of cycloheptatriene derivatives, C₇H₆X, (X?=?NH, PH, AsH, O, S, Se) with the cations H⁺, CH₃⁺, Cu⁺, Al⁺, Li⁺, Na⁺, and K⁺ are studied using B3LYP functional and 6-311++G(d,p) basis set. The calculated gas-phase cation affinities (CA) and cation basicities (CB) for all molecules decrease as H⁺ > CH₃⁺ > Cu⁺ > Al⁺ > Li⁺ > Na⁺ > K⁺. We used the induced aromaticity in the 7-membered ring of C₇H₆X upon interaction with the cations, M⁺, as a measure of C₇H₆X/M⁺ interaction. Nucleus-independent chemical shift (NICS) and harmonic oscillator model of aromaticity (HOMA) were used as two indices of aromaticity. The highest and lowest induced aromaticities were observed for interactions of H⁺ and K⁺, respectively. Also, the aromaticity induced by interaction with a cation in C₇H₆AsH and C₇H₆PH was larger than that in C₇H₆NH and C₇H₆O. Hence, the aromaticity was considered as a measure of covalency for the C₇H₆X/M⁺ interactions showing a rational dependence on both the molecule and cation. The nature of the interactions was also assessed using electron density, charge distribution analysis and NBO calculations. The results of the aromaticity indices, NICS and HOMA, were compared with the electron density and NBO results.     

Transient adaptivity applied to two-phase incompressible flows

An anisotropic adaptation process is applied to a three-dimensional incompressible two-phase flow solver. The solver uses a level set/finite element method on unstructured tetrahedral meshes. We show how the level set function can be used to build an anisotropic mesh with good properties. Some computations with a strong transient character and large densities ratios (1/1000) are presented. We show that the efficiency of the computations can be deeply enhanced by mesh adaptations.     

A value on ′AN

We prove here the existence of a value (of norm 1) on the spaces N A and even A N, the closure in the variation distance of the linear space spanned by all games f, where is a non-atomic, non-negative finitely additive measure of mass 1 and f a real-valued function on [0,1] which satisfies a much weaker continuity at zero and one. 1991 Mathematics Subject Classification. 90A08, 90A07This research was in part supported by the Belgian Programme on Interuniversity Poles of Attraction, initiated by the Prime Ministers Science Policy Office.     

The Dial-a-Ride Problem (DARP): Variants,modeling issues and algorithms

The Dial-a-Ride Problem (DARP) consists of designing vehicle routes and schedules for n users who specify pick-up and drop-off requests between origins and destinations. The aim is to plan a set of m minimum cost vehicle routes capable of accommodating as many users as possible, under a set of constraints. The most common example arises in door-to-door transportation for elderly or disabled people. The purpose of this article is to review the scientific literature on the DARP. The main features of the problem are described and classified and some modeling issues are discussed. A summary of the most important algorithms is provided.AMS classification: 90B06, 90C27, 90C59     

Des équations de Dirac et de Schrödinger pour la transformation de Fourier

Dyson has associated with the Fredholm determinants of the even (resp. odd) Dirichlet kernels a Schrödinger equation on the half-axis and has used, in tandem, the Gel'fand–Levitan and Marchenko methods of inverse scattering theory to study the asymptotics of these determinants. We have proposed following our unearthing of the conductor operator to seek to realize the Fourier transform itself as a scattering, and we obtain here to this end two Dirac systems on the entire real axis which are intrinsically associated, respectively, to the cosine and to the sine transforms. To cite this article: J.-F. Burnol, C. R. Acad. Sci. Paris, Ser. I 336 (2003).     

Experimental study of a confined premixed metal combustor: Metal flame stabilization dynamics and nitrogen oxides production

This work presents a study of a magnesium/air combustion process in the context of innovative zero carbon dioxide (CO₂) energy carriers for reducing global warming effects. In order to analyze more deeply the confined combustion of magnesium under fluctuating overpressure conditions (0 to 24 hPa) and the generated gaseous by-products, magnesium/air flames have been realized in a combustion chamber with a conical bluff-body as flame holder and different contraction ratios diaphragms at the exit duct. Sieved magnesium samples with two size-fractions were tested: 20–50?µm and 50–70?µm. The gaseous emissions of nitrogen oxides (NO_x) and dioxygen (O₂) were analyzed with on-line infrared, ultraviolet and paramagnetic analyzers. A flame pulsating behavior was clearly observed from light emission intensity (monitored by a photodiode) and pressure fluctuations (monitored by a pressure sensor); the frequencies obtained ranged between 3 and 10?Hz. The frequency of the pulsation exhibited strong dependence on the geometric configuration of the chamber: a contraction diaphragm divided by two the frequency level of the fluctuations in the studied range of maximum overpressure. Such fluctuations may probably be the consequence of periodic perturbations of the recirculation zone behind the bluff-body. These periodic perturbations are themselves caused by strong periodic overpressure variations due to stiff contraction downstream responding to gas velocity fluctuations. This feed-back-loop mechanism was considered in this study. NO_x emissions produced through the thermal pathway were analyzed for equivalence ratios ranging from 0.29 to 1. The representation of NO_x versus equivalence ratio exhibited a parabolic shape with a maximum for an equivalence ratio of 0.4. Moreover, NO_x emissions of this metal combustor have shown a similar order of magnitude than current internal combustion engines.     

Ultrasonic wave propagation in heterogeneous solid media: theoretical analysis and experimental validation

This research deals with the ultrasonic characterization of thermal damage in concrete. This damage leads to the appearance of microcracks which then evolve in terms of volume rate and size in the material. The scattering of ultrasonic waves from the inclusions is present in this type of medium. The propagation of the longitudinal wave in the heterogeneous media is studied via a homogenization model that integrates the multiple scattering of waves. The model allows us to determine the phase velocity and the attenuation according to the elements which make the medium. Simulations adapted to the concrete are developed in order to test the responses of the model. These behaviors are validated by an experimental study: the measurements of phase velocity and attenuation are performed in immersion, with a comparison method, on a frequency domain which ranges from 160 kHz to 1.3 MHz. The analysis of different theoretical and experimental results obtained on cement-based media leads to the model validation, on the phase velocity behavior, in the case of a damage simulated by expanded polystyrene spheres in granular media. The application to the case of a thermally damaged concrete shows a good qualitative agreement for the changes in velocity and attenuation.