Yousef Heider

Yuqing He, Yousef Heider, Bernd Markert

This manuscript presents a practical method for incorporating trained Neural Networks (NNs) into the Finite Element (FE) framework using a user material (UMAT) subroutine. The work exemplifies crystal plasticity, a complex inelastic non-linear path-dependent material response, with a wide range of applications in ABAQUS UMAT. However, this approach can be extended to other material behaviors and FE tools. The use of a UMAT subroutine serves two main purposes: (1) it predicts and updates the stress or other mechanical properties of interest directly from the strain history; (2) it computes the Jacobian matrix either through backpropagation or numerical differentiation, which plays an essential role in the solution convergence. By implementing NNs in a UMAT subroutine, a trained machine learning model can be employed as a data-driven constitutive law within the FEM framework, preserving multiscale information that conventional constitutive laws often neglect or average. The versatility of this method makes it a powerful tool for integrating machine learning into mechanical simulation. While this approach is expected to provide higher accuracy in reproducing realistic material behavior, the reliability of the solution process and the convergence conditions must be paid special attention. While the theory of the model is explained in [Heider et al. 2020], exemplary source code is also made available for interested readers [https://doi.org/10.25835/6n5uu50y]

Phu Thien Nguyen, Yousef Heider, Dennis M. Kochmann et al.

The ultimate aim of the study is to explore the inverse design of porous metamaterials using a deep learning-based generative framework. Specifically, we develop a property-variational autoencoder (pVAE), a variational autoencoder (VAE) augmented with a regressor, to generate structured metamaterials with tailored hydraulic properties, such as porosity and permeability. While this work uses the lattice Boltzmann method (LBM) to generate intrinsic permeability tensor data for limited porous microstructures, a convolutional neural network (CNN) is trained using a bottom-up approach to predict effective hydraulic properties. This significantly reduces the computational cost compared to direct LBM simulations. The pVAE framework is trained on two datasets: a synthetic dataset of artificial porous microstructures and CT-scan images of volume elements from real open-cell foams. The encoder-decoder architecture of the VAE captures key microstructural features, mapping them into a compact and interpretable latent space for efficient structure-property exploration. The study provides a detailed analysis and interpretation of the latent space, demonstrating its role in structure-property mapping, interpolation, and inverse design. This approach facilitates the generation of new metamaterials with desired properties. The datasets and codes used in this study will be made open-access to support further research.

Yousef Heider, Fadi Aldakheel, Wolfgang Ehlers

This work introduces a novel application for predicting the macroscopic intrinsic permeability tensor in deformable porous media, using a limited set of micro-CT images of real microgeometries. The primary goal is to develop an efficient, machine-learning (ML)-based method that overcomes the limitations of traditional permeability estimation techniques, which often rely on time-consuming experiments or computationally expensive fluid dynamics simulations. The novelty of this work lies in leveraging Convolutional Neural Networks (CNN) to predict pore-fluid flow behavior under deformation and anisotropic flow conditions. Particularly, the described approach employs binarized CT images of porous micro-structure as inputs to predict the symmetric second-order permeability tensor, a critical parameter in continuum porous media flow modeling. The methodology comprises four key steps: (1) constructing a dataset of CT images from Bentheim sandstone at different volumetric strain levels; (2) performing pore-scale simulations of single-phase flow using the lattice Boltzmann method (LBM) to generate permeability data; (3) training the CNN model with the processed CT images as inputs and permeability tensors as outputs; and (4) exploring techniques to improve model generalization, including data augmentation and alternative CNN architectures. Examples are provided to demonstrate the CNN's capability to accurately predict the permeability tensor, a crucial parameter in various disciplines such as geotechnical engineering, hydrology, and material science. An exemplary source code is made available for interested readers.