Homogenization and field concentrations in heterogeneous media

A multiscale characterization of the field concentrations inside composite and polycrystalline media is developed. We focus on gradient fields associated with the intensive quantities given by the temperature and the electric potential. In the linear regime these quantities are modeled by the solution of a second order elliptic partial differential equation with oscillatory coefficients. The characteristic length scale of the heterogeneity relative to the sample size is denoted by ε and the intensive quantity is denoted by u ε. Field concentrations are measured using the L p norm of the gradient field ||∇u ε||L p(D) for 2 ≤ p \u3c ∞. The analysis focuses on the case when 0 \u3c ε ≪ 1. Explicit lower bounds on lim inf ε→0 are developed. These bounds provide a way to rigorously assess field concentrations generated by the microgeometry without having to compute the actual field u ε. © 2006 Society for Industrial and Applied Mathematics

Effective transient behaviour of heterogeneous media in diffusion problems with a large contrast in the phase diffusivities

This paper presents a homogenisation-based constitutive model to describe the effective tran- sient diffusion behaviour in heterogeneous media in which there is a large contrast between the phase diffusivities. In this case mobile species can diffuse over long distances through the fast phase in the time scale of diffusion in the slow phase. At macroscopic scale, contrasted phase diffusivities lead to a memory effect that cannot be properly described by classical Fick's second law. Here we obtain effective governing equations through a two-scale approach for composite materials consisting of a fast matrix and slow inclusions. The micro-macro transition is similar to first-order computational homogenisation, and involves the solution of a transient diffusion boundary-value problem in a Representative Volume Element of the microstructure. Different from computational homogenisation, we propose a semi-analytical mean-field estimate of the composite response based on the exact solution for a single inclusion developed in our previous work [Brassart, L., Stainier, L., 2018. Effective transient behaviour of inclusions in diffusion problems. Z. Angew Math. Mech. 98, 981-998]. A key outcome of the model is that the macroscopic concentration is not one-to-one related to the macroscopic chemical potential, but obeys a local kinetic equation associated with diffusion in the slow phase. The history-dependent macroscopic response admits a representation based on internal variables, enabling efficient time integration. We show that the local chemical kinetics can result in non-Fickian behaviour in macroscale boundary-value problems.Comment: 36 pages, 14 figure

Effective Elastic Moduli in Solids with High Crack Density

We investigate the weakening of elastic materials through randomly distributed circles and cracks numerically and compare the results to predictions from homogenization theories. We find a good agreement for the case of randomly oriented cracks of equal length in an isotropic plane-strain medium for lower crack densities; for higher densities the material is weaker than predicted due to precursors of percolation. For a parallel alignment of cracks, where percolation does not occur, we analytically predict a power law decay of the effective elastic constants for high crack densities, and confirm this result numerically.Comment: 8 page

New porous medium Poisson-Nernst-Planck equations for strongly oscillating electric potentials

We consider the Poisson-Nernst-Planck system which is well-accepted for describing dilute electrolytes as well as transport of charged species in homogeneous environments. Here, we study these equations in porous media whose electric permittivities show a contrast compared to the electric permittivity of the electrolyte phase. Our main result is the derivation of convenient low-dimensional equations, that is, of effective macroscopic porous media Poisson-Nernst-Planck equations, which reliably describe ionic transport. The contrast in the electric permittivities between liquid and solid phase and the heterogeneity of the porous medium induce strongly oscillating electric potentials (fields). In order to account for this special physical scenario, we introduce a modified asymptotic multiple-scale expansion which takes advantage of the nonlinearly coupled structure of the ionic transport equations. This allows for a systematic upscaling resulting in a new effective porous medium formulation which shows a new transport term on the macroscale. Solvability of all arising equations is rigorously verified. This emergence of a new transport term indicates promising physical insights into the influence of the microscale material properties on the macroscale. Hence, systematic upscaling strategies provide a source and a prospective tool to capitalize intrinsic scale effects for scientific, engineering, and industrial applications

Equivalence between volume averaging and moments matching techniques for mass transport models in porous media.

This paper deals with local non-equilibrium models for mass transport in dual-phase and dual-region porous media. The first contribution of this study is to formally prove that the time-asymptotic moments matching method applied to two-equation models is equivalent to a fundamental deterministic perturbation decomposition proposed in Quintard et al. (2001) [1] for mass transport and in Moyne et al. (2000) [2] for heat transfer. Both theories lead to the same one-equation local non-equilibrium model. It has very broad practical and theoretical implications because (1) these models are widely employed in hydrology and chemical engineering and (2) it indicates that the concepts of volume averaging with closure and of matching spatial moments are equivalent in the one-equation non-equilibrium case. This work also aims to clarify the approximations that are made during the upscaling process by establishing the domains of validity of each model, for the mobile–immobile situation, using both a fundamental analysis and numerical simulations. In particular, it is demonstrated, once again, that the local mass equilibrium assumptions must be used very carefully

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

Mechanical properties of carbon black/poly (ε-caprolactone)-based tissue scaffolds

Carbon black (CB) spherical particles were added to poly(ε-caprolactone) (PCL) polymer to produce strong synthetic tissue scaffolds for biomedical applications. The objective of this paper is to study the mechanical behavior of CB/PCL-based nanocomposites using experimental tests, multi-scale numerical approaches, and analytical models. The mechanical properties of CB/PCL scaffolds were characterized using thermal mechanical analysis and results show a significant increase of the elastic modulus with increasing nanofiller concentration up to 7 wt%. Conversely, finite element computations were performed using a simulated microstructure, and a numerical model based on the representative volume element (RVE) was generated. Thereafter, Young's moduli were computed using a 3D numerical homogenization technique. The approach takes into consideration CB particles’ diameters, as well as their random distribution and agglomerations into PCL. Experimental results were compared with data obtained using numerical approaches and analytical models. Consistency in the results was observed, especially in the case of lower CB fractions