Variationally consistent computational homogenization of chemomechanical problems with stabilized weakly periodic boundary conditions

A variationally consistent model-based computational homogenization approach for transient chemomechanically coupled problems is developed based on the classical assumption of first-order prolongation of the displacement, chemical potential, and (ion) concentration fields within a representative volume element (RVE). The presence of the chemical potential and the concentration as primary global fields represents a mixed formulation, which has definite advantages. Nonstandard diffusion, governed by a Cahn-Hilliard type of gradient model, is considered under the restriction of miscibility. Weakly periodic boundary conditions on the pertinent fields provide the general variational setting for the uniquely solvable RVE-problem(s). These boundary conditions are introduced with a novel approach in order to control the stability of the boundary discretization, thereby circumventing the need to satisfy the LBB-condition: the penalty stabilized Lagrange multiplier formulation, which enforces stability at the cost of an additional Lagrange multiplier for each weakly periodic field (three fields for the current problem). In particular, a neat result is that the classical Neumann boundary condition is obtained when the penalty becomes very large. In the numerical examples, we investigate the following characteristics: the mesh convergence for different boundary approximations, the sensitivity for the choice of penalty parameter, and the influence of RVE-size on the macroscopic response.

Automated summary

This study introduces a model-based variational approach for computationally homogenizing transient chemomechanically coupled problems, utilizing new techniques to address the issues at hand.