Matti Schneider, Binh Nguyen, Shreyas Karthik Ravichandran, Flavia GehrigIntroduction

Project 101040238: Beyond Representative Volume Elements for Random Heterogeneous Materials

The cornerstone of state-of-the-art computational multi-scale methods for industrially relevant materials is the Representative  Volume Element (RVE). Our project BeyondRVE aims to overcome the inadequacy of stochastic microstructure characterization of RVEs and their often large size requirements, e.g., in long-fiber reinforced thermoplastics (LFTs). BeyondRVE introduces and studies microstructure-uncertainty quantifying volume elements (µQVEs), which account for the dispersion of the effective properties on cells of finite size. Furthermore, the incorporation of a boundary layer screening technique is investigated to achieve more accurate results when using non-periodic microstructures or non-periodic displacement boundary conditions. Beyond RVE also includes the development of microstructure-generation tools for a larger variety of complicated material classes, as well as a novel microscale solver that combines regular-grid methods for their efficiency and boundary-conforming meshes for their accuracy.

Microstructure-Uncertainty Quantifying Volume Elements

In modern multi-scale modeling of heterogeneous and composite materials, the Representative Volume Element (RVE) is designed to capture the relevant statistical properties of the material, providing computational efficiency when multiple small-volume ensemble realizations can approximate the accuracy of a “large” RVE. However, the inherent aleatory uncertainty of the microstructure remains and must be quantified. We aim to develop suitable techniques to quantify this uncertainty.

Volume element with associated uncertainty indicator.

Boundary-Layer Screening

Some significant material classes, such as long-fiber reinforced thermoplastics, cannot be characterized by traditional Representative Volume Elements (RVEs) with periodic boundary conditions. However, non-periodic microstructures or non-periodic displacement boundary conditions introduce a non-trivial boundary layer error in the numerical results. As a remedy we analyze the use of innovative techniques which allow for highly accurate results from digital volume images, i.e., originating from µ-CT images.

Next generation microscale solvers

FFT-based computational homogenization methods allow to efficiently compute the effective material response of complex materials discretized on a regular grid. However, due to the grid-like structure, interfaces that are not parallel to the grid are resolved in a jagged manner, which leads to an error in the approximation of the local fields in the vicinity of material interfaces. We aim to improve the accuracy of FFT-based computational homogenization methods while preserving their efficiency. In this context, it is crucial to ensure the mesh-independent robustness of the microscale solvers, which requires advanced preconditioning and stabilization techniques.

Discrete (red-blue) vs. continuous (yellow) description of a material interface.

Advanced microstructure modeling

Digital microstructure generators are essential tools in stochastic multi-scale modeling. A versatile and robust generator not only expedites quantification at the Representative Volume Element (RVE) scale but also accelerates the entire design pipeline at the component scale. To address this need, µGen aims to advance microstructure synthesis for materials widely used in engineering applications, including polycrystalline materials, fiber-reinforced composites, and porous materials.

Generated polycrystalline microstructure.