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Henning Wessels

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Machine Learning physics.comp-ph cond-mat.mtrl-sci math.NA Numerical Analysis physics.flu-dyn

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preprint2026arXiv

Physics-Informed Reduced-Order Operator Learning for Hyperelasticity in Continuum Micromechanics

Physics-informed operator learning is an attractive candidate for surrogate modeling of microstructures, especially in multiscale finite-element simulations. Its practical use, however, is often limited by the high cost of loss evaluation. We address this bottleneck by combining the Equilibrium Neural Operator (EquiNO) with the QR-based discrete empirical interpolation method (Q-DEIM). EquiNO learns only the modal coefficients of reduced displacement-fluctuation and first Piola-Kirchhoff stress representations built from periodic and divergence-free bases, thereby enforcing periodicity and mechanical equilibrium by construction. Q-DEIM then identifies a small set of spatial points through a column-pivoted QR factorization of the stress basis and restricts constitutive evaluations during training to these points alone. This makes full-batch second-order optimization practical for three-dimensional representative volume elements (RVEs). Homogenized first Piola-Kirchhoff stresses are recovered directly from the offline-averaged reduced stress modes, without the need to reconstruct the full stress field at inference time. We validate the framework on two three-dimensional finite-strain hyperelastic RVEs. Q-DEIM reduces the per-step training cost by roughly three orders of magnitude relative to full-field loss evaluation, while reduced homogenization achieves speed-up factors of order $10^3$ to $10^4$ over direct full-field computations. Despite relying on only a small number of offline snapshot loading paths for basis construction, the method accurately interpolates and extrapolates both microscopic stress fields and homogenized stresses, with prediction quality improving systematically as more snapshots are added.

preprint2022arXiv

Physics informed neural networks for continuum micromechanics

Recently, physics informed neural networks have successfully been applied to a broad variety of problems in applied mathematics and engineering. The principle idea is to use a neural network as a global ansatz function to partial differential equations. Due to the global approximation, physics informed neural networks have difficulties in displaying localized effects and strong non-linear solutions by optimization. In this work we consider material non-linearities invoked by material inhomogeneities with sharp phase interfaces. This constitutes a challenging problem for a method relying on a global ansatz. To overcome convergence issues, adaptive training strategies and domain decomposition are studied. It is shown, that the domain decomposition approach is able to accurately resolve nonlinear stress, displacement and energy fields in heterogeneous microstructures obtained from real-world $μ$CT-scans.

preprint2022arXiv

Three-dimensional microstructure generation using generative adversarial neural networks in the context of continuum micromechanics

Multiscale simulations are demanding in terms of computational resources. In the context of continuum micromechanics, the multiscale problem arises from the need of inferring macroscopic material parameters from the microscale. If the underlying microstructure is explicitly given by means of microCT-scans, convolutional neural networks can be used to learn the microstructure-property mapping, which is usually obtained from computational homogenization. The CNN approach provides a significant speedup, especially in the context of heterogeneous or functionally graded materials. Another application is uncertainty quantification, where many expansive evaluations are required. However, one bottleneck of this approach is the large number of training microstructures needed. This work closes this gap by proposing a generative adversarial network tailored towards three-dimensional microstructure generation. The lightweight algorithm is able to learn the underlying properties of the material from a single microCT-scan without the need of explicit descriptors. During prediction time, the network can produce unique three-dimensional microstructures with the same properties of the original data in a fraction of seconds and at consistently high quality.

preprint2020arXiv

The Neural Particle Method -- An Updated Lagrangian Physics Informed Neural Network for Computational Fluid Dynamics

Numerical simulation is indispensable in industrial design processes. It can replace expensive experiments and even reduce the need for prototypes. While products designed with the aid of numerical simulation undergo continuous improvement, this must also be true for numerical simulation itself. Up to date, no general purpose numerical method is available which can accurately resolve a variety of physics ranging from fluid to solid mechanics including large deformations and free surface flow phenomena. These complex multi-physics problems occur for example in Additive Manufacturing processes. In this sense, the recent developments in Machine Learning display promise for numerical simulation. It has recently been shown that instead of solving a system of equations as in standard numerical methods, a neural network can be trained solely based on initial and boundary conditions. Neural networks are smooth, differentiable functions that can be used as a global ansatz for Partial Differential Equations (PDEs). While this idea dates back to more than 20 years ago [Lagaris et al., 1998], it is only recently that an approach for the solution of time dependent problems has been developed [Raissi et al., 2019]. With the latter, implicit Runge Kutta schemes with unprecedented high order have been constructed to solve scalar-valued PDEs. We build on the aforementioned work in order to develop an Updated Lagrangian method for the solution of incompressible free surface flow subject to the inviscid Euler equations. The method is easy to implement and does not require any specific algorithmic treatment which is usually necessary to accurately resolve the incompressibility constraint. Due to its meshfree character, we will name it the Neural Particle Method (NPM). It will be demonstrated that the NPM remains stable and accurate even if the location of discretization points is highly irregular.