DFT study of magneto-volume effects in iron and cobalt nitrides

Largely investigated, both theoretically and experimentally, the iron-nitrogen system (Fe-N) shows large magneto-volume effects, where N element plays an important role. On the other side, the cobalt-nitrogen (Co-N) system magnetic properties are less known. We present here a first principles comparative study, within density functional theory framework of these two systems in order to get further insights into the role of nitrogen within these insertion alloys. The properties of the cobalt nitride are firstly discussed with respect to Fe-N ones, and then the two systems are treated within Slater-Pauling-Friedel model whose limitations are shown.     

Ultrasonic measurements of particle retention by a porous medium

Ultrasound transmission and reflection are utilized to characterize the particle retention in depth of fluid-saturated porous samples under a flow of silt solution. The effect of the concentration of particles in the fluid is investigated via measurements of “comparison coefficients” which are the ratio of the Fourier transforms of the reflected (transmitted) signals before and after the particle flow. Numerical computations of the latter coefficients using Biot-Stoll’s theory are compared to the experimental data. The frequential evolution of physical parameters such as bulk and shear moduli are sought. To this end, a gradient descent algorithm is utilized to minimize the differences between the experimental and calculated comparison coefficients. Several concentrations of suspended particles are investigated to check the validity of this inversion method and a good agreement between theory and experiments is observed.     

Development and validation of a sensitive solid phase extraction/hydrophilic interaction liquid chromatography/mass spectrometry method for the accurate determination of glucosamine in dog plasma

A sensitive and accurate LC/MS method was developed for the monitoring of glucosamine (GLcN) dog plasmatic concentration. In this scope, relatively low plasmatic concentrations of GLcN were expected, ranging from 50 to 1000 ng/mL. Liquid chromatography coupled to simple quadrupole mass spectrometry detection (LC/MS) was selected bringing the selectivity and the sensitivity needed for this application. Additionally, a solid phase extraction (SPE) step was performed to reduce matrix and ion suppression effects. Due to the ionisable character of the compound of interest, a mixed-mode strong cation exchange (Plexa PCX) disposable extraction cartridge (DEC) was selected. The separation was carried out on a Zorbax SB-CN column (5 μm, 4.6 mm i.d. × 250 mm), considering hydrophilic interaction liquid chromatography (HILIC). Indeed, the mobile phase was made of methanol and 5 mM ammonium hydrogen carbonate buffer at pH 7.5 (95/5, v/v). The detection was led at m/z ratios of 180.0 and 417.0, for GLcN and IS, respectively. Reliability of the results was demonstrated through the validation of the method using an approach based on the accuracy profile allowing managing the risk associated to the use of these methods in routine analysis: it is thus guaranteed that each future result will fall in the ±30% acceptance limits with a probability of at least 90%. Successful application of the method to a preliminary pharmacokinetic study illustrated the usefulness of the method for pre-clinical studies.     

Improvement of the semi-analytical method, based on Hamilton's principle and spectral analysis, for determination of the geometrically non-linear response of thin straight structures. Part III: steady state periodic forced response of rectangular plates

In Parts I and II of this series of papers, a practical simple “multi-mode theory”, based on the linearization of the non-linear algebraic equations, written on the modal basis, in the neighbourhood of each resonance, has been developed for beams and fully clamped rectangular plates.¹ Simple explicit formulae have been derived, which allowed, via the so-called first formulation, direct calculation of the basic function contributions to the first three non-linear mode shapes of clamped-clamped and clamped-simply supported beams, and the two first non-linear mode shapes of FCRP. Also, in Part I of this series of papers, this approach has been successively extended, in order to determine the amplitude-dependent deflection shapes associated with the non-linear steady state periodic forced response² of clamped-clamped beams, excited by a concentrated or a distributed harmonic force in the neighbourhood of the first resonance.This new approach has been applied in the present work to obtain the NLSSPFR formulation for FCRP, SSRP, and CCCSSRP, leading in each case to a non-linear system of coupled differential equations, which may be considered as a multi-dimensional form of the well-known Duffing equation. The single-mode assumption, and the harmonic balance method, have been used for both harmonic concentrated and distributed excitation forces, leading to one-dimensional non-linear frequency response functions of the plates considered. Comparisons have been made between the curves based on these functions, and the results available in the literature, showing a reasonable agreement, for finite but relatively small vibration amplitudes. A more accurate estimation of the FCRP non-linear frequency response functions has been obtained by the extension of the improved version of the semi-analytical model developed in Part I for the NLSSPFR of beams, to the case of FCRP, leading to explicit analytical expressions for the “multi-dimensional non-linear frequency response function”, depending on the forcing level, and the amplitude of the response induced in the range considered for the excitation frequency.     

The Bresse system in thermoelasticity

In this paper, we consider the Bresse system coupled with the Fourier law of heat conduction. We prove that the decay rate of the solution is very slow. In fact, we show that the L²‐norm of the solution decays with the rate of (1 + t)^?1/12 similar to the one obtained for the Timoshenko system. In addition, we found that the wave speed of the first two equations still control the decay rate of the solution with respect to the regularity of the initial data. This seems to be the first result dealing with the behavior of the Cauchy problem in the Bresse–Fourier model. Copyright © 2014 John Wiley & Sons, Ltd.     

A new five-unknown refined theory based on neutral surface position for bending analysis of exponential graded plates

In the present paper, a new sinusoidal higher-order plate theory is developed for bending of exponential graded plates. The effects due to transverse shear and normal deformations are both included. The number of unknown functions involved in the present theory is only five as against six or more in case of other shear and normal deformation theories. The theory accounts for sinusoidal distribution of the transverse shear strains, and satisfies the zero traction boundary conditions on the surfaces of the plate without using shear correction factor. Based on the sinusoidal shear and normal deformation theory, the position of neutral surface is determined and the governing equilibrium equations based on neutral surface are derived. There is no stretching–bending coupling effect in the neutral surface-based formulation, and consequently, the governing equations of functionally graded plates based on neutral surface have the simple forms as those of isotropic plates. Numerical results of present theory are compared with three-dimensional elasticity solutions and other higher-order theories reported in the literature. It can be concluded that the proposed theory is accurate and efficient in predicting the bending response of exponential graded plates.     

Pyrrolizidine alkaloids from Solenanthus lanatus DC. with acetylcholinesterase inhibitory activity

The whole plant ethanolic extract of Solenanthus lanatus was used for the isolation of acetylcholinesterase inhibitors. A new pyrrolizidine alkaloid, 7-O-angeloylechinatine N-oxide, 1, was isolated together with three known compounds of the same class (3′-O-acetylheliosupine N-oxide, 2, heliosupine N-oxide, 3, and heliosupine, 4), by bioassay-guided approach. Their structures were elucidated by spectroscopic methods. All the isolated compounds showed inhibition activity against the AChE, with IC₅₀ 0.53–0.60 mM.     

High and low thermal nitridation of SiO2 thin films

Thin thermal SiO₂ films on crystalline silicon substrate were nitrided at low ammonia pressures (10^-6P_NH310^-1 mbar) for times varying from 1 to 10 h, by means of two techniques. (i) Surface nitridation has been achieved by thermal activation at high temperature (HT), in the range 800–1100°C. (ii) A new process at low temperature (LT), was employed at T ≈ 30°C, under electron-beam irradiation; the nitridation-reaction rate depends on the electron energy (reaching a maximum within the energy range 1 to 2 keV), and on the electron flux. Conduction and electron trapping on the nitrided oxide films depends on the chemical compositions and on the amount of nitrogen incorporated into the bulk of the films and/or at the SiO₂-Si interface.     

Global non‐existence of solutions of a class of wave equations with non‐linear damping and source terms

In this paper we consider the non‐linear wave equation a,b>0, associated with initial and Dirichlet boundary conditions. We prove, under suitable conditions on α,β,m,p and for negative initial energy, a global non‐existence theorem. This improves a result by Yang (Math. Meth. Appl. Sci. 2002; 25 :825–833), who requires that the initial energy be sufficiently negative and relates the global non‐existence of solutions to the size of Ω. Copyright © 2004 John Wiley & Sons, Ltd.     

Nahm's equations and root systems

A method of deriving solutions to Nahm's equations based on root structure of simple Lie algebras is given. As an illustration of this method the recently found solutions to Nahm's equations with tetrahedral and octahedral symmetries are shown to correspond to A ₂ and A ₃ root systems.