Curvilinear finite-volume schemes using high-order compact interpolation

During the last years, the need of high fidelity simulations on complex geometries for aeroacoustics predictions has grown. Most of high fidelity numerical schemes, in terms of low dissipative and low dispersive effects, lie on finite-difference (FD) approach. But for industrial applications, FD schemes are less robust compared to finite-volume (FV) ones. Thus the present study focuses on the development of a new compact FV scheme for two- and three-dimensional applications.The proposed schemes are formulated in the physical space and not in the computational space as it is the case in most of the known works. Therefore, they are more appropriate for general grids. They are based on compact interpolation to approximate interface-averaged field values using known cell-averaged values. For each interface, the interpolation coefficients are determined by matching Taylor series expansions around the interface center. Two types of schemes can be distinguished. The first one uses only the curvilinear abscissa along a mesh line to derive a sixth-order compact interpolation formulae while the second, more general, uses coordinates in a spatial three-dimensional frame well chosen. This latter is formally sixth-order accurate in a preferred direction almost orthogonal to the interface and at most fourth-order accurate in transversal directions.For non-linear problems, different approaches can be used to keep the high-order scheme. However, in the present paper, a MUSCL-like formulation was sufficient to address the presented test cases.All schemes have been modified to treat multiblock and periodic interfaces in such a way that high-order accuracy, stability, good spectral resolution, conservativeness and low computational costs are guaranteed. This is a first step to insure good scalability of the schemes although parallel performances issues are not addressed. As high frequency waves, badly resolved, could be amplified and then destabilize the scheme, compact filtering operators have been used.Numerous test cases as the linear convection of a Gaussian wave, the convection of a Lamb–Oseen vortex and the diffraction of an acoustic wave on a plane have been realized to validate the schemes. The most efficient schemes are shown to be at least fifth-order accurate on linear and non-linear convection problems. They are also less dissipative and less dispersive on non-uniform curvilinear grids than schemes using implicit interpolation with constant coefficients of the same order on uniform cartesian grids.     

High-gain fiber, optical-parametric, chirped-pulse amplification of femtosecond pulses at 1 μm

Fiber-based optical-parametric chirped-pulse amplification is reported at 1μm in a microstructured fiber in the femtosecond regime. The signal has been highly stretched by an ?ffner triplet and then amplified with an all-fiber, pulsed-pump, fiber optical-parametric amplifier. More than 30dB gain has been achieved over 8.3nm, and the amplified signal has been recompressed.     

Tetrathiafulvalene-triazine-dipyridylamines as multifunctional ligands for electroactive complexes: synthesis, structures, and theoretical study

The electroactive ligands (2,4-bis-tetrathiafulvalene[6-(dipyridin-2'-ylamino)]-1,3,5-triazine) TTF(2)-tz-dpa (1) and (2-tetrathiafulvalene[4,6-bis-(dipyridin-2'-ylamino)]-1,3,5-triazine) TTF-tz-dpa(2) (2) have been synthesized by palladium cross-coupling catalysis, and the single crystal X-ray structure for 1 was determined. In the solid state the TTF and triazine units are practically coplanar and short intermolecular S···S contacts are established. Two neutral and one tetracationic Zn(II) complexes, formulated as (TTF(2)-tz-dpa)ZnCl(2) (3), [ZnCl(2)(TTF-tz-dpa(2))Zn(H(2)O)Cl(2)] (4), and {[(H(2)O)(2)Zn(TTF-tz-dpa(2))](ClO(4))(2)}(2) (5) have been crystallized and analyzed by single crystal X-ray analysis. A peculiar feature is the evidence for anion-π interactions, as shown by the short Cl···triazine and O(perchlorate)···triazine distances of 3.52 and 3.00 ?, respectively. A complex set of intermolecular π···π, S···S, and hydrogen bonding interactions sustain the supramolecular organizations of the complexes in the solid state. Electronic absorption spectra provide evidence for the intramolecular charge transfer from TTF to triazine, also supported by time-dependent density functional theory (TD DFT) calculations.     

ortho-Lithium/magnesium carboxylate-driven aromatic nucleophilic substitution reactions on unprotected naphthoic acids

Substitution of an ortho-fluoro or methoxy group in 1- and 2-naphthoic acids furnishing substituted naphthoic acids occurs in good to excellent yields upon reaction with alkyl/vinyl/aryl organolithium and Grignard reagents, in the absence of a metal catalyst without the need to protect the carboxyl (CO(2)H) group. This novel nucleophilic aromatic substitution is presumed to proceed via a precoordination of the organometallic with the substrate, followed by an addition/elimination.     

Synthesis of a new family of protected 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid derivatives with thioctic acid pending arms

The synthesis and characterization of a new family of ester protected N-substituted [1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid (H3DO3A) derivatives containing a pendant thioctic acid (α lipoic acid, LA) are reported. These compounds (DO3A^tBu-NLA, DO3A^tBu-NMeNLA, and DO3A^tBu-NEtNLA) are suitable for the functionalization of gold surfaces with rare-earth complexes.     

Fluctuations of interacting Markov chain Monte Carlo methods

We present a multivariate central limit theorem for a general class of interacting Markov chain Monte Carlo algorithms used to solve nonlinear measure-valued equations. These algorithms generate stochastic processes which belong to the class of nonlinear Markov chains interacting with their empirical occupation measures. We develop an original theoretical analysis based on resolvent operators and semigroup techniques to analyze the fluctuations of their occupation measures around their limiting values.     

Existence of Solutions for a Fractional Derivative System of Equations

We study a fractional derivative system of equations. A Newton polygonal associated with this system is partially described. Under some additional assumptions, this Newton polygonal is fully described and L ² estimates are given, as well as an existence result. We finally discuss our assumptions.     

Mechanism for spherical dome and microvoid formation in polycarbonate using nanojoule femtosecond laser pulses

Spherical domes are created on the surface of polycarbonate samples, and microvoids are formed within the bulk using only a femtosecond oscillator with pulse energy of just 0.47?nJ. Size of spherical domes and shape of microvoids are controlled by changing the laser focus inside the material. Their formation is explained by a combination of heat accumulation and dome formation dynamics, where the dome acts as a microlens shifting the laser focus within the sample. The technique described here provides a simple avenue for fabricating smooth microlens arrays of various sizes and opens the possibility for direct fabrication of complex three-dimensional microfluidic channels in transparent materials.     

Dynamic Nuclear Polarization by Thermal Mixing Under Partial Saturation

We describe a low-temperature thermodynamic model for dynamic nuclear polarization (DNP) via continuous-wave partial saturation of electron spin resonance (ESR) lines that are both homogeneously and inhomogeneously broadened. It is a variant of a reasoning proposed by Borghini, which in turn used Redfield’s thermodynamic treatment of saturation. Our variant is furthermore based on Provotorov’s insight that under partial saturation of a coupled-spin system two distinct spin temperatures should appear in a thermodynamical theory. We apply our model to DNP results obtained at a temperature of 1.2?K and in magnetic fields of 3.35 and 5?T on 1-¹³C labeled sodium acetate dissolved in a frozen D₂O/ethanol-d₆ solution doped with the free radical TEMPO.