Surface characterization and properties of ordered arrays of CeO2 nanoparticles embedded in thin layers of SiO2

We demonstrated the surface composite character down to the nanometer scale of SiO2-CeO2 composite high surface area materials, prepared using 5 nm colloidal CeO2 nanoparticle building blocks. These materials are made of a homogeneous distribution of CeO2 nanoparticles in thin layers of SiO2, arranged in a hexagonal symmetry as shown by small-angle X-ray scattering and transmission electron microscopy. Since the preparation route of these composite materials was selected in order to produce SiO2 wall thickness in the range of the CeO2 nanoparticle diameter, these materials display surface nanorugosity as shown by inverse chromatography. Accessibility through the porous volume to the functional CeO2 nanoparticle surfaceswasevidenced throughanorganic acid chemisorption technique allowing quantitative determination of CeO2 surface ratio. This surface composite nanostructure down to the nanometer scale does not affect the fundamental properties of the functional CeO2 nanodomains, such as their oxygen storage capacity, but modifies the acid-base properties of the CeO2 surface nanodomains as evidenced by Fourier transform IR technique. These arrays of accessible CeO2 nanoparticles displaying high surface area and high thermal stability, along with the possibility of tuning their acid base properties, will exhibit potentialities for catalysis, sensors, etc

Piezo-electromechanical smart materials with distributed arrays of piezoelectric transducers: Current and upcoming applications

This review paper intends to gather and organize a series of works which discuss the possibility of exploiting the mechanical properties of distributed arrays of piezoelectric transducers. The concept can be described as follows: on every structural member one can uniformly distribute an array of piezoelectric transducers whose electric terminals are to be connected to a suitably optimized electric waveguide. If the aim of such a modification is identified to be the suppression of mechanical vibrations then the optimal electric waveguide is identified to be the 'electric analog' of the considered structural member. The obtained electromechanical systems were called PEM (PiezoElectroMechanical) structures. The authors especially focus on the role played by Lagrange methods in the design of these analog circuits and in the study of PEM structures and we suggest some possible research developments in the conception of new devices, in their study and in their technological application. Other potential uses of PEMs, such as Structural Health Monitoring and Energy Harvesting, are described as well. PEM structures can be regarded as a particular kind of smart materials, i.e. materials especially designed and engineered to show a specific andwell-defined response to external excitations: for this reason, the authors try to find connection between PEM beams and plates and some micromorphic materials whose properties as carriers of waves have been studied recently. Finally, this paper aims to establish some links among some concepts which are used in different cultural groups, as smart structure, metamaterial and functional structural modifications, showing how appropriate would be to avoid the use of different names for similar concepts. © 2015 - IOS Press and the authors

Homogenization of the Poisson-Nernst-Planck Equations for Ion Transport in Charged Porous Media

Effective Poisson-Nernst-Planck (PNP) equations are derived for macroscopic ion transport in charged porous media under periodic fluid flow by an asymptotic multi-scale expansion with drift. The microscopic setting is a two-component periodic composite consisting of a dilute electrolyte continuum (described by standard PNP equations) and a continuous dielectric matrix, which is impermeable to the ions and carries a given surface charge. Four new features arise in the upscaled equations: (i) the effective ionic diffusivities and mobilities become tensors, related to the microstructure; (ii) the effective permittivity is also a tensor, depending on the electrolyte/matrix permittivity ratio and the ratio of the Debye screening length to the macroscopic length of the porous medium; (iii) the microscopic fluidic convection is replaced by a diffusion-dispersion correction in the effective diffusion tensor; and (iv) the surface charge per volume appears as a continuous "background charge density", as in classical membrane models. The coefficient tensors in the upscaled PNP equations can be calculated from periodic reference cell problems. For an insulating solid matrix, all gradients are corrected by the same tensor, and the Einstein relation holds at the macroscopic scale, which is not generally the case for a polarizable matrix, unless the permittivity and electric field are suitably defined. In the limit of thin double layers, Poisson's equation is replaced by macroscopic electroneutrality (balancing ionic and surface charges). The general form of the macroscopic PNP equations may also hold for concentrated solution theories, based on the local-density and mean-field approximations. These results have broad applicability to ion transport in porous electrodes, separators, membranes, ion-exchange resins, soils, porous rocks, and biological tissues

Modelling binary alloy solidification with adaptive mesh refinement

The solidification of a binary alloy results in the formation of a porous mushy layer, within which spontaneous localisation of fluid flow can lead to the emergence of features over a range of spatial scales. We describe a finite volume method for simulating binary alloy solidification in two dimensions with local mesh refinement in space and time. The coupled heat, solute, and mass transport is described using an enthalpy method with flow described by a Darcy-Brinkman equation for flow across porous and liquid regions. The resulting equations are solved on a hierarchy of block-structured adaptive grids. A projection method is used to compute the fluid velocity, whilst the viscous and nonlinear diffusive terms are calculated using a semi-implicit scheme. A series of synchronization steps ensure that the scheme is flux-conservative and correct for errors that arise at the boundaries between different levels of refinement. We also develop a corresponding method using Darcy's law for flow in a porous medium/narrow Hele-Shaw cell. We demonstrate the accuracy and efficiency of our method using established benchmarks for solidification without flow and convection in a fixed porous medium, along with convergence tests for the fully coupled code. Finally, we demonstrate the ability of our method to simulate transient mushy layer growth with narrow liquid channels which evolve over time

The XDEM Multi-physics and Multi-scale Simulation Technology: Review on DEM-CFD Coupling, Methodology and Engineering Applications

The XDEM multi-physics and multi-scale simulation platform roots in the Ex- tended Discrete Element Method (XDEM) and is being developed at the In- stitute of Computational Engineering at the University of Luxembourg. The platform is an advanced multi- physics simulation technology that combines flexibility and versatility to establish the next generation of multi-physics and multi-scale simulation tools. For this purpose the simulation framework relies on coupling various predictive tools based on both an Eulerian and Lagrangian approach. Eulerian approaches represent the wide field of continuum models while the Lagrange approach is perfectly suited to characterise discrete phases. Thus, continuum models include classical simulation tools such as Computa- tional Fluid Dynamics (CFD) or Finite Element Analysis (FEA) while an ex- tended configuration of the classical Discrete Element Method (DEM) addresses the discrete e.g. particulate phase. Apart from predicting the trajectories of individual particles, XDEM extends the application to estimating the thermo- dynamic state of each particle by advanced and optimised algorithms. The thermodynamic state may include temperature and species distributions due to chemical reaction and external heat sources. Hence, coupling these extended features with either CFD or FEA opens up a wide range of applications as diverse as pharmaceutical industry e.g. drug production, agriculture food and processing industry, mining, construction and agricultural machinery, metals manufacturing, energy production and systems biology

Dynamic problems for metamaterials: Review of existing models and ideas for further research

Metamaterials are materials especially engineered to have a peculiar physical behaviour, to be exploited for some well-specified technological application. In this context we focus on the conception of general micro-structured continua, with particular attention to piezoelectromechanical structures, having a strong coupling between macroscopic motion and some internal degrees of freedom, which may be electric or, more generally, related to some micro-motion. An interesting class of problems in this context regards the design of wave-guides aimed to control wave propagation. The description of the state of the art is followed by some hints addressed to describe some possible research developments and in particular to design optimal design techniques for bone reconstruction or systems which may block wave propagation in some frequency ranges, in both linear and non-linear fields. (C) 2014 Elsevier Ltd. All rights reserved