A new hybrid method for solving global optimization problem

In this paper we present a new hybrid method, called the SASP method. The purpose of this method is the hybridization of the simulated annealing (SA) with the descent method, where we estimate the gradient using simultaneous perturbation. Firstly, the new hybrid method finds a local minimum using the descent method, then SA is executed in order to escape from the currently discovered local minimum to a better one, from which the descent method restarts a new local search, and so on until convergence.The new hybrid method can be widely applied to a class of global optimization problems for continuous functions with constraints. Experiments on 30 benchmark functions, including high dimensional functions, show that the new method is able to find near optimal solutions efficiently. In addition, its performance as a viable optimization method is demonstrated by comparing it with other existing algorithms. Numerical results improve the robustness and efficiency of the method presented.     

Snx[BPO4]1−x composites as negative electrodes for lithium ion cells: Comparison with amorphous SnB0.6P0.4O2.9 and effect of composition

A comparative study of two Sn-based composite materials as negative electrode for Li-ion accumulators is presented. The former SnB_0.6P_0.4O_2.9 obtained by in-situ dispersion of SnO in an oxide matrix is shown to be an amorphous tin composite oxide (ATCO). The latter Sn_0.72[BPO₄]_0.28 obtained by ex-situ dispersion of Sn in a borophosphate matrix consists of Sn particles embedded in a crystalline BPO₄ matrix. The electrochemical responses of ATCO and Sn_0.72[BPO₄]_0.28 composite in galvanostatic mode show reversible capacities of about 450 and 530 mAh g⁻¹, respectively, with different irreversible capacities (60% and 29%). Analysis of these composite materials by ¹¹⁹Sn Mössbauer spectroscopy in transmission (TMS) and emission (CEMS) modes confirms that ATCO is an amorphous Sn^II composite oxide and shows that in the case of Sn_0.72[BPO₄]_0.28, the surface of the tin clusters is mainly formed by Sn^II in an amorphous interface whereas the bulk of the clusters is mainly formed by Sn⁰. The determination of the recoilless free fractions f (Lamb-Mössbauer factors) leads to the effective fraction of both Sn⁰ and Sn^II species in such composites. The influence of chemical composition and especially of the surface-to-bulk tin species ratio on the electrochemical behaviour has been analysed for several Sn_x[BPO₄]_1−x composite materials (0.17<x<0.91). The cell using the compound Sn_0.72[BPO₄]_0.28 as active material exhibits interesting electrochemical performances (reversible capacity of 500 mAh g⁻¹ at C/5 rate).     

Sn-0.4BPO4 composite as a promising negative electrode for rechargeable lithium batteries

The structural and textural properties of a Sn-0.4BPO₄ composite material synthesized by ex situ dispersion of β-Sn in a BPO₄ matrix were investigated by using several complementary techniques to study the global order (XRD, TGA-DSC, SEM-XEDS) and the local order (FT-IR, ¹¹⁹Sn Mössbauer spectroscopy and X-ray absorption spectroscopy). The results reveal that the composite material consists of three main components: an electrochemically active species “Sn”, an inactive matrix “BPO₄”, and an amorphous Sn(II) borophosphate which acts as a link between the two former and which improves the cohesion of the composite. The electrochemical performances of the composite material were tested in Swagelok-type cells with metallic Li as counter-electrode. It shows a high reversible capacity of about 500 mAh g^?1 at a C/20 rate, and a very good stability under cycling even at very fast rates of C or C/1.3.     

Water-based route to colloidal Mn-doped ZnSe and core/shell ZnSe/ZnS quantum dots

Relatively monodisperse and highly luminescent Mn(2+)-doped zinc blende ZnSe nanocrystals were synthesized in aqueous solution at 100 °C using the nucleation-doping strategy. The effects of the experimental conditions and of the ligand on the synthesis of nanocrystals were investigated systematically. It was found that there were significant effects of molar ratio of precursors and heating time on the optical properties of ZnSe:Mn nanocrystals. Using 3-mercaptopropionic acid as capping ligand afforded 3.1 nm wide ZnSe:Mn quantum dots (QDs) with very low surface defect density and which exhibited the Mn(2+)-related orange luminescence. The post-preparative introduction of a ZnS shell at the surface of the Mn(2+)-doped ZnSe QDs improved their photoluminescence properties, resulting in stronger emission. A 2.5-fold increase in photoluminescence quantum yield (from 3.5 to 9%) and of Mn(2+) ion emission lifetime (from 0.62 to 1.39 ms) have been observed after surface passivation. The size and the structure of these QDs were also corroborated by using transmission electron microscopy, energy dispersive spectroscopy, and X-ray powder diffraction.     

In situ 119Sn Mössbauer spectroscopy study of Sn-based electrode materials

Sn-based composite materials were synthetized by a conventional melt-quenching method, and studied by X-ray diffraction, electrochemistry and in situ ¹¹⁹Sn Mösssbauer spectroscopy. Tin was dispersed ex situ into a matrix formed from B₂O₃:P₂O₅. XRD and ¹¹⁹Sn Mössbauer spectroscopy show the formation of an interface between the active species (Sn⁰) and the matrix. This amorphous interface acts as a “buffer-zone” which compensates volume changes during the tin–lithium alloy formation and avoids aggregation of tin particles.     

Insight into the electronic,optical, thermodynamic,and thermoelectric properties of novel chalcogenides: An ab initio study

Ternary chalcogenides with direct band gaps are remarkable for being used in many optoelectronic applications. We investigated for structural, electronic, optical, and transport characteristics of new Ba₂CdCh₃ (Ch = S, Se, Te) semiconductors using the full-potential linearized augmented plane wave (FP-LAPW) approach. The band structures of these compounds confirm a direct type of band gap. The phonon dispersion plots along with the predicted negative formation energies suggest these compounds to be thermodynamically stable. Additionally, important optical characteristics were computed and thoroughly explained. The different ELF spectra were calculated in which strong peak correlate precisely with plasma resonance. Moreover, we also explored the thermodynamic characteristics of the ternary systems by employing the quasi-harmonic Debye model. These compounds were also suitable for thermoelectric applications based on the detailed discussion of the computed significant thermoelectric properties. In general, the advancement of various and promising semiconducting devices and their applications will be supported by the present study.     

Aqueous synthesis and enhanced photocatalytic activity of ZnO/Fe2O3 heterostructures

We report a facile synthesis of ZnO/Fe₂O₃ heterostructures based on the hydrolysis of FeCl₃ in the presence of ZnO nanoparticles. The material structure, composition, and its optical properties have been examined by means of transmission electron microscopy, scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy and diffuse reflectance UV–visible spectroscopy. Results obtained show that 2.9 nm-sized Fe₂O₃ nanoparticles produced assemble with ZnO to form ZnO/Fe₂O₃ heterostructures. We have evaluated the photodegradation performances of ZnO/Fe₂O₃ materials using salicylic acid under UV-light. ZnO/Fe₂O₃ heterostructures exhibited enhanced photocatalytic capabilities than commercial ZnO due to the effective electron/hole separation at the interfaces of ZnO/Fe₂O₃ allowing the enhanced hydroxyl and superoxide radicals production from the heterostructure.     

A control type method for solving the Cauchy–Stokes problem

In this work, we propose an approximate optimal control formulation of the Cauchy problem for the Stokes system. Here the problem is converted into an optimization one. In order to handle the instability of the solution of this ill-posed problem, a regularization technique is developed. We add a term in the least square function which happens to vanish while the algorithm converges. The efficiency of the proposed method is illustrated by numerical experiments.     

A posteriori error estimate for a one-dimensional pollution problem in porous media

We are interested in the discretization of a time-dependent pollution problem modeling the mass transfer of contaminant in porous media, by the implicit Euler scheme in time and vertex-centered finite volumes in space. The error estimator consists of two types of computable error indicators, the first one being linked to the time discretization and the second one to the space discretization. To cite this article: R. Aboulaich et al., C. R. Acad. Sci. Paris, Ser. I 347 (2009).