Computational homogenization for aerogel-like polydisperse open-porous materials using neural network--based surrogate models on the microscale

Abstract

The morphology of nanostructured materials exhibiting a polydisperse porous space, such as aerogels, is very open porous and fine grained. Therefore, a simulation of the deformation of a large aerogel structure resolving the nanostructure would be extremely expensive. Thus, multi-scale or homogenization approaches have to be considered. Here, a computational scale bridging approach based on the FE$^2$ method is suggested, where the macroscopic scale is discretized using finite elements while the microstructure of the open-porous material is resolved as a network of Euler-Bernoulli beams. Here, the beam frame based RVEs (representative volume elements) have pores whose size distribution follows the measured values for a specific material. This is a well-known approach to model aerogel structures. For the computational homogenization, an approach to average the first Piola-Kirchhoff stresses in a beam frame by neglecting rotational moments is suggested. To further overcome the computationally most expensive part in the homogenization method, that is, solving the RVEs and averaging their stress fields, a surrogate model is introduced based on neural networks. The networks input is the localized deformation gradient on the macroscopic scale and its output is the averaged stress for the specific material. It is trained on data generated by the beam frame based approach. The effiency and robustness of both homogenization approaches is shown numerically, the approximation properties of the surrogate model is verified for different macroscopic problems and discretizations. Different (Quasi-)Newton solvers are considered on the macroscopic scale and compared with respect to their convergence properties.