Nonlinear nonlocal multicontinua upscaling framework and its applications

In this paper, we discuss multiscale methods for nonlinear problems. The main idea of these approaches is to use local constraints and solve problems in oversampled regions for constructing macroscopic equations. These techniques are intended for problems without scale separation and high contrast, which often occur in applications. For linear problems, the local solutions with constraints are used as basis functions. This technique is called Constraint Energy Minimizing Generalized Multiscale Finite Element Method (CEM-GMsFEM). GMsFEM identifies macroscopic quantities based on rigorous analysis. In corresponding upscaling methods, the multiscale basis functions are selected such that the degrees of freedom have physical meanings, such as averages of the solution on each continuum. This paper extends the linear concepts to nonlinear problems, where the local problems are nonlinear. The main concept consists of: (1) identifying macroscopic quantities; (2) constructing appropriate oversampled local problems with coarse-grid constraints; (3) formulating macroscopic equations. We consider two types of approaches. In the first approach, the solutions of local problems are used as basis functions (in a linear fashion) to solve nonlinear problems. This approach is simple to implement; however, it lacks the nonlinear interpolation, which we present in our second approach. In this approach, the local solutions are used as a nonlinear forward map from local averages (constraints) of the solution in oversampling region. This local fine-grid solution is further used to formulate the coarse-grid problem. Both approaches are discussed on several examples and applied to single-phase and two-phase flow problems, which are challenging because of convection-dominated nature of the concentration equation

On the existence of representative volumes for softening quasi-brittle materials: a failure zone averaging scheme

The concept of the representative volume element (RVE) for softening materials is revised in this contribution. It is demonstrated by means of numerical simulations that there exists a sample which is statistically representative for quasi-brittle materials with random microstructure like concrete. This finding is an important ingredient for homogenization-based multiscale modelling of softening materials.Peer ReviewedPostprint (author's final draft

Numerical homogenization of H(curl)-problems

If an elliptic differential operator associated with an $\mathbf{H}(\mathrm{curl})$-problem involves rough (rapidly varying) coefficients, then solutions to the corresponding $\mathbf{H}(\mathrm{curl})$-problem admit typically very low regularity, which leads to arbitrarily bad convergence rates for conventional numerical schemes. The goal of this paper is to show that the missing regularity can be compensated through a corrector operator. More precisely, we consider the lowest order N\'ed\'elec finite element space and show the existence of a linear corrector operator with four central properties: it is computable, $\mathbf{H}(\mathrm{curl})$-stable, quasi-local and allows for a correction of coarse finite element functions so that first-order estimates (in terms of the coarse mesh-size) in the $\mathbf{H}(\mathrm{curl})$ norm are obtained provided the right-hand side belongs to $\mathbf{H}(\mathrm{div})$. With these four properties, a practical application is to construct generalized finite element spaces which can be straightforwardly used in a Galerkin method. In particular, this characterizes a homogenized solution and a first order corrector, including corresponding quantitative error estimates without the requirement of scale separation

On the existence of representative volumes for softening quasi-brittle materials: a failure zone averaging scheme

The concept of the representative volume element (RVE) for softening materials is revised in this contribution. It is demonstrated by means of numerical simulations that there exists a sample which is statistically representative for quasi-brittle materials with random microstructure like concrete. This finding is an important ingredient for homogenization-based multiscale modelling of softening materials

An adaptive multi-scale computational method for modeling nonlinear deformation in nanoscale materials

In this dissertation a coupled multi-scale computational model for simulating nonlinear deformation processes in crystalline metals at finite temperatures is developed. The computational model uses the finite element method to model the coarse scale response of the material. The constitutive response in the finite element will be modeled through interatomic potentials acting on the underlying homogeneous crystal lattice that characterizes its nanostructure. An adaptive remeshing technique is proposed to automatically delineate regions of severe deformation where homogeneity of the microstructure/deformation is violated. In these regions the finite element will be replaced by a set of deformed atoms which interact with each other through the interatomic potential. The resulting coupled multi-scale model will be used to study defect generation and growth, through a computational nanoindentation experiment, in practical 2D and 3D problems

Accurate macroscale modelling of spatial dynamics in multiple dimensions

Developments in dynamical systems theory provides new support for the macroscale modelling of pdes and other microscale systems such as Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators. By systematically resolving subgrid microscale dynamics the dynamical systems approach constructs accurate closures of macroscale discretisations of the microscale system. Here we specifically explore reaction-diffusion problems in two spatial dimensions as a prototype of generic systems in multiple dimensions. Our approach unifies into one the modelling of systems by a type of finite elements, and the `equation free' macroscale modelling of microscale simulators efficiently executing only on small patches of the spatial domain. Centre manifold theory ensures that a closed model exist on the macroscale grid, is emergent, and is systematically approximated. Dividing space either into overlapping finite elements or into spatially separated small patches, the specially crafted inter-element/patch coupling also ensures that the constructed discretisations are consistent with the microscale system/PDE to as high an order as desired. Computer algebra handles the considerable algebraic details as seen in the specific application to the Ginzburg--Landau PDE. However, higher order models in multiple dimensions require a mixed numerical and algebraic approach that is also developed. The modelling here may be straightforwardly adapted to a wide class of reaction-diffusion PDEs and lattice equations in multiple space dimensions. When applied to patches of microscopic simulations our coupling conditions promise efficient macroscale simulation.Comment: some figures with 3D interaction when viewed in Acrobat Reader. arXiv admin note: substantial text overlap with arXiv:0904.085