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

Fuente: arXiv
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Autori principali: Klawonn, Axel, Lanser, Martin, Mager, Lucas, Rege, Ameya
Natura: Preprint
Pubblicazione: 2024
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author Klawonn, Axel
Lanser, Martin
Mager, Lucas
Rege, Ameya
author_facet Klawonn, Axel
Lanser, Martin
Mager, Lucas
Rege, Ameya
contents 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.
format Preprint
id arxiv_https___arxiv_org_abs_2403_00571
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Computational homogenization for aerogel-like polydisperse open-porous materials using neural network--based surrogate models on the microscale
Klawonn, Axel
Lanser, Martin
Mager, Lucas
Rege, Ameya
Numerical Analysis
68T07, 65N30, 74Q05
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.
title Computational homogenization for aerogel-like polydisperse open-porous materials using neural network--based surrogate models on the microscale
topic Numerical Analysis
68T07, 65N30, 74Q05
url https://arxiv.org/abs/2403.00571