Design and demonstration of a high-energy booster amplifier for a high-repetition rate petawatt class laser system

We have successfully developed a high-energy, high-repetition rate Ti:sapphire laser system that delivers 33 J before compression at 0.1 Hz. The final booster amplifier is based on a 100 mm diameter Ti:sapphire crystal pumped with 72 J of energy in six beams delivered by three frequency-doubled high-repetition rate Nd:glass lasers. This system is, to the best of our knowledge, the first demonstrated petawatt class laser system running at a high repetition rate.     

Fully three-dimensional direct numerical simulation of a plunging breakerSimulation numérique directe tridimensionnelle du déferlement plongeant

The scope of this paper is to show the results obtained for simulating three-dimensional breaking waves by solving the Navier–Stokes equations in air and water. The interface tracking is achieved by a Lax–Wendroff TVD scheme (Total Variation Diminishing), which is able to handle interface reconnections. We first present the equations and the numerical methods used in this work. We then proceed to the study of a three-dimensional plunging breaking wave, using initial conditions corresponding to unstable periodic sinusoidal waves of large amplitudes. We compare the results obtained for two simulations, a longshore depth perturbation has been introduced in the solution of the flow equations in order to see the transition from a two-dimensional velocity field to a fully three-dimensional one after plunging. Breaking processes including overturning, splash-up and breaking induced vortex-like motion beneath the surface are presented and discussed. To cite this article: P. Lubin et al., C. R. Mecanique 331 (2003).     

Numerical Studies on Asymptotics of European Option Under Multiscale Stochastic Volatility

Multiscale stochastic volatilities models relax the constant volatility assumption from Black-Scholes option pricing model. Such models can capture the smile and skew of volatilities and therefore describe more accurately the movements of the trading prices. Christoffersen et al. Manag Sci 55(2):1914–1932 (2009) presented a model where the underlying price is governed by two volatility components, one changing fast and another changing slowly. Chiarella and Ziveyi Appl Math Comput 224:283–310 (2013) transformed Christoffersen’s model and computed an approximate formula for pricing American options. They used Duhamel’s principle to derive an integral form solution of the boundary value problem associated to the option price. Using method of characteristics, Fourier and Laplace transforms, they obtained with good accuracy the American option prices. In a previous research of the authors (Canhanga et al. 2014), a particular case of Chiarella and Ziveyi Appl Math Comput 224:283–310 (2013) model is used for pricing of European options. The novelty of this earlier work is to present an asymptotic expansion for the option price. The present paper provides experimental and numerical studies on investigating the accuracy of the approximation formulae given by this asymptotic expansion. We present also a procedure for calibrating the parameters produced by our first-order asymptotic approximation formulae. Our approximated option prices will be compared to the approximation obtained by Chiarella and Ziveyi Appl Math Comput 224:283–310 (2013).     

Fragment-based drug design: computational & experimental state of the art

Fragment-based screening is an emerging technology which is used as an alternative to high-throughput screening (HTS), and often in parallel. Fragment screening focuses on very small compounds. Because of their small size and simplicity, fragments exhibit a low to medium binding affinity (mM to μM) and must therefore be screened at high concentration in order to detect binding events. Since some issues are associated with high-concentration screening in biochemical assays, biophysical methods are generally employed in fragment screening campaigns. Moreover, these techniques are very sensitive and some of them can give precise information about the binding mode of fragments, which facilitates the mandatory hit-to-lead optimization. One of the main advantages of fragment-based screening is that fragment hits generally exhibit a strong binding with respect to their size, and their subsequent optimization should lead to compounds with better pharmacokinetic properties compared to molecules evolved from HTS hits. In other words, fragments are interesting starting points for drug discovery projects. Besides, the chemical space of low-complexity compounds is very limited in comparison to that of drug-like molecules, and thus easier to explore with a screening library of limited size. Furthermore, the "combinatorial explosion" effect ensures that the resulting combinations of interlinked binding fragments may cover a significant part of "drug-like" chemical space. In parallel to experimental screening, virtual screening techniques, dedicated to fragments or wider compounds, are gaining momentum in order to further reduce the number of compounds to test. This article is a review of the latest news in both experimental and in silico virtual screening in the fragment-based discovery field. Given the specificity of this journal, special attention will be given to fragment library design.     

Self-assembled lamellar structures with functionalized single wall carbon nanotubes

Highly ordered self-assembled multi-layer structures with denatured collagen wrapped single wall carbon nanotubes and surfactant systems were obtained through bioinspired methodology.     

Surfactant-based dispersant for multiwall carbon nanotubes to prepare ceramic composites by a sol-gel method

A dispersant for multiwall carbon nanotubes (MWCNTs) is proposed that fulfils the requirements of creating a uniform dispersion in the matrix and obtaining a good interface between CNTs and the matrix, and is soluble in generic nonpolar solvents. This dispersant is based on a long chain surfactant, called in this work dabcosil stearate, containing a stearate-based 18-carbon alkyl chain as an anion, and a silsesquioxane containing a bridged, positively charged 1,4-diazoniabicyclo[2.2.2]octane group. It provides not only a very good dispersion medium for the MWCNTs, but also a very good interface between MWCNTs and ceramic matrices, such as alumina and zirconia, prepared by the sol-gel method.     

Multi-component hybrid inorganic–organic–inorganic particles with various metal oxide outer shells

Non-agglomerated hybrid particles of 200 nm diameter with an outer metal oxide shell were prepared by reacting the COOH groups of poly((S)-N-dicarbazolyl-lysine)-covered silica particles with metal alkoxides, such as titanium, zirconium and aluminum alkoxides, followed by sol–gel processing. With tetraethoxysilane (Si(OEt)₄), the silica particle core was growing rather than forming an external metal oxide shell, as observed for the other tested metal alkoxides.     

Synthesis and characteristics of a nonaggregating tris(tetrathiafulvaleno)dodecadehydro[18]annulene

A new tris(tetrathiafulvaleno)dodecadehydro[18]annulene with six peripheral n-hexyl substituents was prepared by oxidative Glaser-Hay cyclization of a corresponding diethynylated tetrathiafulvalene (TTF) precursor. The electronic properties of the neutral and oxidized species were studied by both UV/Vis absorption spectroscopy and electrochemistry. From these studies, it transpires that the strongly violet-colored macrocycle does not aggregate in solution to any significant degree, which was confirmed by (1)H NMR spectroscopy. This reluctance towards aggregation contrasts that observed for related TTF-annulenes containing other peripheral substitutents. Oxidation of the TTF-annulene occurs in two three-electron steps as inferred from both the peak amplitudes and the spectroelectrochemical study. We find that the tris(TTF)-fused dehydro[18]annulene is more difficult to oxidize (by +0.20 V) than the silyl-protected diethynylated mono-TTF precursor. In contrast, the first vertical ionization energy calculated at the B3 LYP/6-311+G(2d,p) level for the parent tris(TTF)-fused dehydro[18]annulene devoid of peripheral hexyl substituents is in fact lower (by 0.44 eV). Moreover, the surface morphology of 1 d drop-cast on a mica substrate was investigated by atomic force microscopy (AFM). Crystalline domains with slightly different orientations were observed. The thickness of individual layers seen in the crystalline domains and the thickness of a monolayer obtained from a very dilute solution were determined to 1.8-1.9 nm. This thickness corresponds to the diameter of the macrocycle and the layers seen in the film are apparently formed when the molecules stack in the horizontal direction relative to the substrate.     

Evolution equations for shapes and geometries

The first object of this paper is to introduce a new evolution equation for the characteristic function of the boundary Γ of a Lipschitzian domain Ω in the N-dimensional Euclidean space under the influence of a smooth time-dependent velocity field. The originality of this equation is that the evolution takes place in an L^p-space with respect to the (N − 1)-Hausdorff measure. A second more speculative objective is to discuss how that equation can be relaxed to rougher velocity fields via some weak formulation. A candidate is presented and some of the technical difficulties and open issues are discussed. Continuity results in several metric topologies are also presented. The paper also specializes the results on the evolution of the oriented distance function to initial sets with zero N-dimensional Lebesgue measure.