Numerical modeling of wave propagation in anisotropic viscoelastic laminated materials in transient regime: Application to modeling ultrasonic testing of composite structures

Composite laminate structures remain an important family of materials used in cutting-edge industrial areas. Building efficient numerical modeling tools for high-frequency wave propagation in order to represent ultrasonic testing experiments of these materials remains a major challenge. In particular, incorporating attenuation phenomena within anisotropic plies, and thin intermediate isotropic layers between the plies often represent significant obstacles for standard numerical approaches. In our work, we address both issues by proposing a systematic study of the fully discrete propagators associated to the Kelvin-Voigt, Maxwell, and Zener models, and by incorporating effective transmission conditions between plies using the mortar element method. We illustrate the soundness of our approach by proposing intermediate one-dimensional and two-dimensional numerical evidence, and we apply it to a more realistic configuration of a curved laminate composite structure in a three-dimensional setting.     

Contactless Spin Switch Sensing by Chemo-Electric Gating of Graphene

Direct electrical probing of molecular materials is often impaired by their insulating nature. Here, graphene is interfaced with single crystals of a molecular spin crossover complex, [Fe(bapbpy)(NCS)₂], to electrically detect phase transitions in the molecular crystal through the variation of graphene resistance. Contactless sensing is achieved by separating the crystal from graphene with an insulating polymer spacer. Next to mechanical effects, which influence the conductivity of the graphene sheet but can be minimized by using a thicker spacer, a Dirac point shift in graphene is observed experimentally upon spin crossover. As confirmed by computational modeling, this Dirac point shift is due to the phase-dependent electrostatic potential generated by the crystal inside the graphene sheet. This effect, named as chemo-electric gating, suggests that molecular materials may serve as substrates for designing graphene-based electronic devices. Chemo-electric gating, thus, opens up new possibilities to electrically probe chemical and physical processes in molecular materials in a contactless fashion, from a large distance, which can enhance their use in technological applications, for example, as sensors.     

Microwave-assisted synthesis of tetrasubstituted aryl imidazole based polymers via cascade polycondensation process

Poly(Tetrasubstituted Aryl Imidazole)s (PTAIs), a new class of poly(heteroaromatic) polymers was prepared via a cascade polycondensation process, under microwave irradiation. These polymers were obtained by the tetrasubstituted aryl imidazole ring formation involving bis(aryl α-diketone)s, bis(arylaldehyde)s, mono(arylamine)s and ammonium acetate. The polymerization performed under microwave irradiation allowed to get high molecular weight PTAIs in very short reaction times. The chemical structure of these PTAIs was confirmed by NMR spectroscopy. Thermogravimetric analyses (TGA) showed a very good grade of thermal stability of these polymers. Glass transition temperatures (T_g) of PTAIs ranging from 155 °C to 265 °C were determined by Differential Scanning Calorimetry (DSC).     

Red Fluorescent Turn‐On Ligands for Imaging and Quantifying G Protein‐Coupled Receptors in Living Cells

Classical fluorescence‐based approaches to monitor ligand–protein interactions are generally hampered by the background signal of unbound ligand, which must be removed by tedious washing steps. To overcome this major limitation, we report here the first red fluorescent turn‐on probes for a G protein‐coupled receptor (oxytocin receptor) at the surface of living cells. The peptide ligand carbetocin was conjugated to one of the best solvatochromic (fluorogenic) dyes, Nile Red, which turns on emission when reaching the hydrophobic environment of the receptor. We showed that the incorporation of hydrophilic octa(ethylene glycol) linker between the pharmacophore and the dye minimized nonspecific interaction of the probe with serum proteins and lipid membranes, thus ensuring receptor‐specific turn‐on response. The new ligand was successfully applied for background‐free imaging and quantification of oxytocin receptors in living cells.     

Phosphonic acid‐containing polysulfones as anticorrosive layers

As a part of research work to elaborate polymeric materials for metal corrosion protection, we have developed a new family of phosphonic acid‐containing polymers. The synthesis and the characterization of polysulfones bearing alkyl phosphonate ester side groups are first described. These polymers are synthesized by direct polycondensation of a phosphonate ester‐containing bisphenol by aromatic nucleophilic substitution. The physicochemical properties of the resulting polymers are described. Acidic hydrolysis of phosphonate esters results in the formation of phosphonic acid groups. A series of phosphonic acid‐containing polysulfones is therefore obtained and characterized. A preliminary evaluation of the anticorrosive properties of these polymers is described. In 0.25M Na₂SO₄ solution, the corrosion rate of a polymer‐coated mild steel sample is much lower than of the free metal substrate. These results suggest that phosphonic acid‐containing polysulfones might be interesting as anticorrosive coatings. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41890.     

A macro-element strategy based upon spectral finite elements and mortar elements for transient wave propagation modeling. Application to ultrasonic testing of laminate composite materials

Proposing efficient numerical modeling tools for high-frequency wave propagation in realistic configurations, such as the one appearing in ultrasonic testing experiments, is a major challenge, especially in the perspective of inversion loops or parametric studies. We propose a numerical methodology addressing this challenge and based upon the combination of the spectral finite element method and the mortar element method. From a prior decomposition of the scene of interest into “macro-elements,” we show how one can improve the performances of the standard finite element procedures in terms of memory footprint and computational load. Additionally, using this decomposition, we are able to efficiently reconstruct important modeling features on-the-fly, such as orientations of anisotropic materials or splitting directions of perfectly matched layers formulations, altogether in a robust and efficient manner. We believe that this strategy is particularly suitable for parametric studies and sensitivity analysis. We illustrate our strategy by simulating the propagation of an ultrasonic wave into an immersed and curved anisotropic laminate 3D specimen flawed with an internal circular delamination of varying size, thus showing the efficiency and the robustness of our approach.     

Inverse material identification in coupled acoustic-structure interaction using a modified error in constitutive equation functional

This work focuses on the identification of heterogeneous linear elastic moduli in the context of frequency-domain, coupled acoustic-structure interaction (ASI), using either solid displacement or fluid pressure measurement data. The approach postulates the inverse problem as an optimization problem where the solution is obtained by minimizing a modified error in constitutive equation (MECE) functional. The latter measures the discrepancy in the constitutive equations that connect kinematically admissible strains and dynamically admissible stresses, while incorporating the measurement data as additional quadratic error terms. We demonstrate two strategies for selecting the MECE weighting coefficient to produce regularized solutions to the ill-posed identification problem: 1) the discrepancy principle of Morozov, and 2) an error-balance approach that selects the weight parameter as the minimizer of another functional involving the ECE and the data misfit. Numerical results demonstrate that the proposed methodology can successfully recover elastic parameters in 2D and 3D ASI systems from response measurements taken in either the solid or fluid subdomains. Furthermore, both regularization strategies are shown to produce accurate reconstructions when the measurement data is polluted with noise. The discrepancy principle is shown to produce nearly optimal solutions, while the error-balance approach, although not optimal, remains effective and does not need a priori information on the noise level.