Relationship between structure parameters and chemical properties in some MPS3 layered phases

Cationic thermal motions in the MPS₃ have been related to substitution abilities in this layer family. They have also been correlated to the crystal field stabilization energy. These considerations explain why some MPS₃ materials may or may not undergo a low temperature substitution intercalation reaction. From interatomic distances comparisons, the bond between (PS₃) groups in the anionic (P₂S₆)^4? octahedra, is found to be easily stretched upon cation substitution. Cationic radii follows the expected variation according to their high spin configuration in octahedral sulfur environment.     

Multifidelity surrogate modeling based on radial basis functions

Multiple models of a physical phenomenon are sometimes available with different levels of approximation. The high fidelity model is more computationally demanding than the coarse approximation. In this context, including information from the lower fidelity model to build a surrogate model is desirable. Here, the study focuses on the design of a miniaturized photoacoustic gas sensor which involves two numerical models. First, a multifidelity metamodeling method based on Radial Basis Function, the co-RBF, is proposed. This surrogate model is compared with the classical co-kriging method on two analytical benchmarks and on the photoacoustic gas sensor. Then an extension to the multifidelity framework of an already existing RBF-based optimization algorithm is applied to optimize the sensor efficiency. The co-RBF method does not bring better results than co-kriging but can be considered as an alternative for multifidelity metamodeling.     

Distribution Around the Oxide-Substrate Interface of Alloying Elements in Low-Carbon Steel

In order to study the physicochemical evolutionduring oxidation of Fe-C-X_i alloyssurfaces (X_i = Cu, Ni, Al, Si, S, withX_i% < 0.5 wt.%, C% < 0.1 wt.%), anoriginal analysis method has been used. After separating the oxide from the metalsubstrate, the first atomic layers of both innersurfaces have been observed by Auger ElectronSpectroscopy (AES). The depth profiles obtained, around0.4 m thick on both sides of the oxide-metal interface,have been compared for four steels of differentcomposition. Significant differences have been observedand described in this paper. A qualitativeinterpretation of diffusion processes has been proposed. Ametallographic study illustrates some physicalconsequences of alloying elements, especially on thescale thickness.     

Enforcing Luminescence at Organic Nanointerfaces: Luminescence Spatial Confinement and Amplification in Molecular‐Based Core–Shell Nanoparticles

Fully organic core–shell nanoparticles that promote luminescence spatial confinement and enhancement at the core–shell nanointerface are designed and prepared. These molecular‐based bicomponent nanostructures give rise to very efficient directional excitation energy transfer from the shell to acceptor molecules in the core located at the core–shell nanointerface. A striking luminescence enhancement is observed with respect to the corresponding single‐component nanoparticles, which is ascribed to large local electric fields generated at the nanointerface between the polarizable molecular core and shell.     

Nanocomposite piezoelectric films of P(VDF‐TrFE)/LiNbO3

Piezoelectric films were prepared by incorporation of lithium niobate (LiNbO₃) nanoparticles into copolymer of vinylidene difluoride and trifluoroethylene. Nanoparticles of LiNbO₃ with ferroelectric phase were successfully synthesized and dispersed homogenously by ultrasonication in the copolymer matrix without any surfactant or surface functionalization. The nanocomposites were fully characterized by electronic microscopy, X‐ray diffraction, differential scanning calorimetry, dynamical mechanical analysis, and piezometer. Surprisingly, the copolymer matrix crystallinity and morphology were not affected by the incorporation of nanoparticles. Therefore the nanocomposites remained good mechanicals properties and high ferroelectricity coupled to nonlinear optical activity thanks to the noncentro symmetric space group of lithium niobate. This could be a novel approach to develop new multifunctional materials. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013     

Preparation of transparent PMMA/Fe(IO3)3 nanocomposite films from microemulsion polymerization

Polymethyl methacrylate (PMMA)/Fe(IO₃)₃ nanocomposite thin films are obtained by in situ particle generation in microemulsions and subsequent photopolymerization of a mixture containing methyl methacrylate, trimethylolpropane triacrylate, and crystallized iron iodate (Fe(IO₃)₃) nanorods. Hyper‐Rayleigh scattering measurements combined with X‐ray diffraction, transmission electron microscopy, and dynamic light scattering are first used to probe in situ the crystallization kinetics of iron iodate nanorods in water‐in‐oil microemulsions prepared with methyl methacrylate as the oil phase and marlophen NP12 as a surfactant. Trimethylolpropane triacrylate is then added as a crosslinker before spin‐coating. Films are deposited on glass substrates for the nonlinear optical characterizations and on silicon wafers for the piezoelectric and mechanical measurements. Nanocomposite films treated by corona discharge are finally characterized through optical microscopy, laser Doppler vibrometry, and Brillouin spectroscopy. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 130: 1203‐1211, 2013     

Thermal stability and crystallisation of a Zr55Cu30Al10Ni5 bulk metallic glass studied by in situ ultrasonic echography

An original in situ ultrasonic echography technique was used to study the thermal stability and crystallisation of a Zr₅₅Cu₃₀Al₁₀Ni₅ bulk metallic glass between RT and 630 °C. Changes in Young's modulus with temperature were reported allowing to study the supercooled-liquid state and the crystallisation process. Investigations of viscoelastic properties gave information on the correlation factor (hierarchically correlated motion theory) and three distinct crystallisation stages were observed. Their kinetics were studied using Voigt's and Reuss' approximations for a two-phase material and comparisons with the Johnson–Mehl–Avrami–Kolmogorov theory allowed us to consider a mixed surface/internal nucleation for the first stage and a surface nucleation for the two last stages.     

Towards ultrastrong glasses

The development of new glassy materials is key for addressing major global challenges in energy, medicine, and advanced communications systems. For example, thin, flexible, and large-area glass substrates will play an enabling role in the development of flexible displays, roll-to-roll processing of solar cells, next-generation touch-screen devices, and encapsulation of organic semiconductors. The main drawback of glass and its limitation for these applications is its brittle fracture behavior, especially in the presence of surface flaws, which can significantly reduce the practical strength of a glass product. Hence, the design of new ultrastrong glassy materials and strengthening techniques is of crucial importance. The main issues regarding glass strength are discussed, with an emphasis on the underlying microscopic mechanisms that are responsible for mechanical properties. The relationship among elastic properties and fracture behavior is also addressed, focusing on both oxide and metallic glasses. From a theoretical perspective, atomistic modeling of mechanical properties of glassy materials is considered. The topological origin of these properties is also discussed, including its relation to structural and chemical heterogeneities. Finally, comments are given on several toughening strategies for increasing the damage resistance of glass products.     

Hardness, Toughness, and Scratchability of Germanium–Selenium Chalcogenide Glasses

Ge–Se chalcogenide glasses are characterized by relatively low hardness (0.39–2.35 GPa) and low fracture toughness (0.1–0.28 MPa·m^1/2). Actually, the hardness of chalcogen-rich glasses is low enough so that the brittleness parameter, B = H / K _c , is lower than that of silicate glasses. Whereas hardness and Young's modulus increase with increasing germanium contents, fracture toughness follows a trend similar to that of the density and exhibits a maximum for the Ge₂₀Se₈₀ composition, which corresponds to the rigidity percolation threshold. Optical microscopy and atomic force microscopy observations suggest that the indentation deformation proceeds by a localized shear deformation phenomenon. Glasses in the chalcogen-rich region behave viscoelastically at room temperature. As a consequence, an increase of the loading time results in a decrease of hardness and toughness.