Cationic Organophosphorus Chromophores: A Diamond in the Rough among Ionic Dyes

Tunable electron-accepting properties of the cationic phosphorus center, its geometry and unique preparative chemistry that allows combining this unit with diversity of π-conjugated motifs, define the appealing photophysical and electrochemical characteristics of organophosphorus ionic chromophores. This Minireview summarizes the achievements in the synthesis of the π-extended molecules functionalized with P-cationic fragments, modulation of their properties by means of structural modification, and emphasizes the important effect of cation-anion interactions, which can drastically change physical behavior of these two-component systems.     

On the Whitham system for the (2+1)-dimensional nonlinear Schrödinger equation

Whitham modulation equations are derived for the nonlinear Schrödinger equation in the plane ((2+1)-dimensional nonlinear Schrödinger [2d NLS]) with small dispersion. The modulation equations are obtained in terms of both physical and Riemann-type variables; the latter yields equations of hydrodynamic type. The complete 2d NLS Whitham system consists of six dynamical equations in evolutionary form and two constraints. As an application, we determine the linear stability of one-dimensional traveling waves. In both the elliptic and hyperbolic cases, the traveling waves are found to be unstable. This result is consistent with previous investigations of stability by other methods and is supported by direct numerical calculations.     

Revealing Phosphorus Nitrides up to the Megabar Regime: Synthesis of α′-P3N5, δ-P3N5 and PN2

Non-metal nitrides are an exciting field of chemistry, featuring a significant number of compounds that can possess outstanding material properties. These properties mainly rely on maximizing the number of strong covalent bonds, with crosslinked XN₆ octahedra frameworks being particularly attractive. In this study, the phosphorus–nitrogen system was studied up to 137 GPa in laser-heated diamond anvil cells, and three previously unobserved phases were synthesized and characterized by single-crystal X-ray diffraction, Raman spectroscopy measurements and density functional theory calculations. δ-P₃N₅ and PN₂ were found to form at 72 and 134 GPa, respectively, and both feature dense 3D networks of the so far elusive PN₆ units. The two compounds are ultra-incompressible, having a bulk modulus of K₀=322 GPa for δ-P₃N₅ and 339 GPa for PN₂. Upon decompression below 7 GPa, δ-P₃N₅ undergoes a transformation into a novel α′-P₃N₅ solid, stable at ambient conditions, that has a unique structure type based on PN₄ tetrahedra. The formation of α′-P₃N₅ underlines that a phase space otherwise inaccessible can be explored through materials formed under high pressure.     

Flexo printability of agro and invasive papers

Cellulose - Countries with scarce soft and hardwood resources have been utilizing the non-wood based lignocellulosic biomass (mainly straw or bagasse), besides for bioenergy also for paper...     

High-order evolution equation for nonlinear wave-packet propagation with surface tension accountingÉquation d'évolution d'ordre élevé de groupes d'ondes non linéaires en présence de tension superficielle

The nonlinear problem for propagation of wave-packets along the interface of two semi-infinite fluids is solved on the basis of multiple scale asymptotic expansions. Unlike all previous investigations dealing only with third-order approximations, here fourth-order approximation is developed. The corresponding solvability condition is obtained and the evolution equation in the case away from the cut-off wave number is derived. As a result, the nonlinear higher-order Schrödinger equation is obtained which contains the nonlinear part in a compact form. This equation is valid for a wide range of wave numbers. The stability diagram shows regions of stability and instability of capillary-gravity wave-packets. To cite this article: I. Selezov et al., C. R. Mecanique 331 (2003).     

Attractors for Second-Order Evolution Equations with a Nonlinear Damping

We study long-time dynamics of abstract nonlinear second-order evolution equations with a nonlinear damping. Under suitable hypotheses we prove existence of a compact global attractor and finiteness of its fractal dimension. We also show that any solution is stabilized to an equilibrium and estimate the rate of the convergence which, in turn, depends on the behaviour at the origin of the function describing the dissipation. If the damping is bounded below by a linear function, this rate is exponential. Our approach is based on far reaching generalizations of the Ceron–Lopes theorem on asymptotic compactness and Ladyzhenskayas theorem on the dimension of invariant sets. An application of our results to nonlinear damped wave and plate equations allow us to obtain new results pertaining to structure and properties of global attractors for nonlinear waves and plates.     

Experimental investigation of three-dimensional flow instabilities in a rotating lid-driven cavity

The swirling flow between a rotating lid and a stationary cylinder is studied experimentally. The flow is governed by two parameters: the ratio of container height to disk radius, h, and the Reynolds number, Re, based on the disk angular velocity, cylinder radius and kinematic viscosity of the working liquid. For the first time, the onset of three-dimensional flow behavior is measured by combining the high spatial resolution of particle image velocimetry and the temporal accuracy of laser Doppler anemometry. A detailed mapping of the transition scenario from steady and axisymmetric flow to unsteady and three-dimensional flow is investigated for 1 ≥ h ≥ 3.5. The flow is characterized by the development of azimuthal modes of different wave numbers. A range of different modes is detected and critical Reynolds numbers and associated frequencies are identified. The results are compared to the numerical stability analysis of Gelfgat et al. (J Fluid Mech 438:363–377, 2001). In most cases, the measured onset of three-dimensionality is in good agreement with the numerical results and disagreements can be explained by bifurcations not accounted for by the numerical stability analysis.     

Effective flow of a viscous liquid through a helical pipe

We study the flow of a viscous fluid through a pipe with helical shape parameterized with , where the small parameter stands for the distance between two coils of the helix. The pipe has small cross-section of size . Using the asymptotic analysis of the microscopic flow described by the Navier–Stokes system, with respect to the small parameter that tends to zero, we find the effective fluid flow described by an explicit formula of the Poisseuile type including a small distorsion due to the particular geometry of the pipe. To cite this article: E. Marušić-Paloka, I. Pažanin, C. R. Mecanique 332 (2004).

Résumé

On considère un écoulement dans un tube de section circulaire et de forme hélicoïdale paramétré par , où est la distance entre deux tours de la spirale. Le rayon de la section du tube est lui aussi supposé égal à . A partir de l'écoulement microscopique décrit par le système de Navier–Stokes et en utilisant l'analyse asymptotique par rapport à ce petit paramètre on obtient l'écoulemment effectif décrit par une formule explicite de type Poiseuille associée à une petite déviation due à la géometrie du tube. Pour citer cet article : E. Marušić-Paloka, I. Pažanin, C. R. Mecanique 332 (2004).     

On a formulation for anisotropic elastoplasticity at finite strains invariant with respect to the intermediate configuration

The paper is concerned with a formulation of anisotropic finite strain inelasticity based on the multiplicative decomposition of the deformation gradient F=F_eF_p. A major feature of the theory is its invariance with respect to rotations superimposed on the inelastic part of the deformation gradient. The paper motivates and shows how such an invariance can be achieved. At the heart of the formulation is the mixed-variant transformation of the structural tensor, defined as the tensor product of the privileged directions of the material as given in a reference configuration, under the action of F_p. Issues related to the plastic material spin are discussed in detail. It is shown that, in contrast to the isotropic case, any flow function formulated purely in terms of stress quantities, necessarily exhibits a non-vanishing plastic material spin. The possible construction of spin-free rates is discussed as well, where it is shown that the flow rule must then depend not only on the stress but on the strain as well.     

Spectroscopic Properties of Lumiflavin: A Quantum Chemical Study

In this work, the electronic structure and spectroscopic properties of lumiflavin are calculated using various quantum chemical methods. The excitation energies for ten singlet and triplet states as well as the analysis of the electron density difference are assessed using various wave function‐based methods and density functionals. The relative order of singlet and triplet excited states is established on the basis of the coupled cluster method CC2. We find that at least seven singlet excited states are required to assign all peaks in the UV/Vis spectrum. In addition, we have studied the solvatochromic effect on the excitation energies and found differential effects except for the first bright excited state. Vibrational frequencies as well as IR, Raman and resonance Raman intensities are simulated and compared to their experimental counterparts. We have assigned peaks, assessed the effect of anharmonicity, and confirmed the previous assignments in case of the most intense transitions. Finally, we have studied the NMR shieldings and established the effect of the solvent polarity. The present study provides data for lumiflavin in the gas phase and in implicit solvent model that can be used as a reference for the protein‐embedded flavin simulations and assignment of experimental spectra.