Ligand influence in the selective gold-mediated synthesis of allenes

The use of [(IPr)AuOH] permits the generation of gold(i)-amine complexes by a silver-free protocol. These in situ or well-defined complexes are used in a straightforward synthetic route to substituted allenes from propargylic acetates. The catalytic activity can be modulated as a function of the nature of the ligand bound to the gold-NHC moiety.     

Inverse problem approaches for stationary Fourier transform spectrometers

A design of a miniaturized stationary Fourier transform IR spectrometer has been developed that produces a two-dimensional interferogram. The latter is disturbed by effects like parasitic interferences or disparities in the cutoff wavelength of the pixels. Thus, a simple Fourier transform cannot be used to estimate the spectrum of the scene. However, as these defects are deterministic, they can be measured and taken into account by inversion methods. A regularization term can also be added. The first experimental results prove the efficiency of this processing methodology.     

Nonlinear and non-separable multiscale representations based on Lipschitz perturbation

In this Note, we present a new formalism for nonlinear and non-separable multiscale representations. The new formalism we propose brings about similarities between existing nonlinear multiscale representations and also allows us to alleviate the classical hypotheses made to prove the convergence of the multiscale representations.     

The small hexagon and heptagon with maximum sum of distances between vertices

The hexagon and heptagon with unit diameter and maximum sum of Euclidean distances between vertices are determined by enumerating diameter configurations, and by using a branch and cut algorithm for nonconvex quadratic programming. Lower bounds on the value on this sum are presented for polygon with a larger number of vertices.     

Free-standing films of fluorinated surfactants as 2D matrices for organizing detergent-solubilized membrane proteins

The possibility of organizing detergent-solubilized membrane proteins in a plane within the core of Newton black films (NBFs) formed from fluorinated surfactants has been investigated. Fluorinated surfactants have the interesting characteristics of being poorly miscible with detergents and highly surface-active. As a result, when a membrane protein-the transmembrane domain of OmpA (tOmpA)-solubilized by the nonionic detergent C8E4 (tetraethylene glycol monooctyl ether) was injected under a monolayer of fluorinated surfactant, C8E4 and tOmpA/C8E4 complexes remained confined to the subphase. Vertical, macroscopic NBFs were drawn, and their structure was investigated by means of X-ray reflectivity. Depending on experimental conditions, the protein was shown to organize into either one or two monolayers stabilized by two monolayers of fluorinated surfactant. Two different mechanisms of protein insertion were investigated: (i) attachment of polyhistidine-tagged tOmpA/C8E4 complexes to nickel-bearing polar groups born by a fluorinated surfactant and (ii) spontaneous diffusion into the surfactant films. Possible applications are discussed.     

Characterizing the ZrC(111)/c-ZrO2(111) Hetero-Ceramic Interface: First Principles DFT and Atomistic Thermodynamic Modeling

The mechanical and physical properties of zirconium carbide (ZrC) are limited to its ability to deteriorate in oxidizing environments. Low refractory oxides are typically formed as layers on ZrC surfaces when exposed to the slightest concentrations of oxygen. However, this carbide has a wide range of applications in nuclear reactor lines and nozzle flaps in the aerospace industry, just to name a few. To develop mechanically strong and oxygen-resistant ZrC materials, the need for studying and characterizing the oxidized layers, with emphasis on the interfacial structure between ZrC and the oxidized phases, cannot be understated. In this paper, the ZrC(111)//c-ZrO₂ (111) interface was studied by both finite temperature molecular dynamic simulation and DFT. The interfacial mechanical properties were characterized by the work of adhesion which revealed a Zr|OO|Zr|OO//ZrC(111) interface model as the most stable with an oxygen layer from ZrO₂ being deposited on the ZrC(111) surface. Further structural analysis at the interface showed a crack in the first ZrO₂ layer at the interfacial region. Investigations of the electronic structure using the density of state calculations and Bader charge analysis revealed the interfacial properties as local effects with no significant impacts in the bulk regions of the interface slab.     

Local Exact Controllability for the One-Dimensional Compressible Navier–Stokes Equation

In this paper we deal with the isentropic (compressible) Navier-Stokes equation in one space dimension and we adress the problem of the boundary controllability for this system. We prove that we can drive initial conditions which are sufficiently close to some constant states to those constant states. This is done under some natural hypotheses on the time of control and on the regularity on the initial conditions.     

Simulation numérique directe de l'influence de la forme aval d'une plaque séparatrice sur une couche de mélangeDirect-numerical simulation of the splitting-plate downstream-shape influence upon a mixing layer

In this Note, we present direct numerical simulation results of a spatial mixing layer generated behind an upstream plate separating two boundary layers. The effect of the shape of the trailing edge of the plate is considered through comparisons between flows obtained from a bevelled or a blunt plate. In the former case, a spatial mixing layer consistent with previous experimental and numerical observations is obtained. In the latter case, the self-excited state that establishes in the near wake region dominates primary and secondary instability mechanisms while understating the importance of inflow perturbations. This behaviour is interpreted in terms of convective or absolute instability. The effects on turbulent statistics are also discussed. To cite this article: S. Laizet, E. Lamballais, C. R. Mecanique 334 (2006).     

Courants caractéristiques et analyse de SEREigen currents and RCS analysis

In this Note, we return to the theory of characteristic modes which was introduced 30 years ago for electromagnetic scattering problems. A simple mathematical framework is proposed and complete definitions are given. The potential interest of this theory in terms of Radar Cross Section (RCS) analysis is then discussed, especially in the low frequency case. Finally, a 3-D example is presented to illustrate the efficiency of this decomposition. To cite this article: Y. Morel et al., C. R. Mecanique 332 (2004).     

Incompact3d: A powerful tool to tackle turbulence problems with up to O(105) computational cores

Understanding the nature of complex turbulent flows remains one of the most challenging problems in classical physics. Significant progress has been made recently using high performance computing, and computational fluid dynamics is now a credible alternative to experiments and theories in order to understand the rich physics of turbulence. In this paper, we present an efficient numerical tool called Incompact3d that can be coupled with massive parallel platforms in order to simulate turbulence problems with as much complexity as possible, using up to O(10⁵) computational cores by means of direct numerical simulation (DNS). DNS is the simplest approach conceptually to investigate turbulence, featuring the highest temporal and spatial accuracy and it requires extraordinary powerful resources. This paper is an extension of Laizet et al.(Comput. Fluids 2010; 39 (3):471–484) where the authors proposed a strategy to run DNS with up to 1024 computational cores. Copyright © 2010 John Wiley & Sons, Ltd.