Automated Model Discovery for Tensional Homeostasis: Constitutive Machine Learning in Growth and Remodeling

Soft biological tissues exhibit a tendency to maintain a preferred state of tensile stress, known as tensional homeostasis, which is restored even after external mechanical stimuli. This macroscopic behavior can be described using the theory of kinematic growth, where the deformation gradient is multiplicatively decomposed into an elastic part and a part related to growth and remodeling. Recently, the concept of homeostatic surfaces was introduced to define the state of homeostasis and the evolution equations for inelastic deformations. However, identifying the optimal model and material parameters to accurately capture the macroscopic behavior of inelastic materials can only be accomplished with significant expertise, is often time-consuming, and prone to error, regardless of the specific inelastic phenomenon. To address this challenge, built-in physics machine learning algorithms offer significant potential. In this work, we extend our inelastic Constitutive Artificial Neural Networks (iCANNs) by incorporating kinematic growth and homeostatic surfaces to discover the scalar model equations, namely the Helmholtz free energy and the pseudo potential. The latter describes the state of homeostasis in a smeared sense. We evaluate the ability of the proposed network to learn from experimentally obtained tissue equivalent data at the material point level, assess its predictive accuracy beyond the training regime, and discuss its current limitations when applied at the structural level. Our source code, data, examples, and an implementation of the corresponding material subroutine are made accessible to the public at https://doi.org/10.5281/zenodo.13946282.

FFT-based surrogate modeling of auxetic metamaterials with real-time prediction of effective elastic properties and swift inverse design

Auxetic structures, known for their negative Poisson's ratio, exhibit effective elastic properties heavily influenced by their underlying structural geometry and base material properties. While periodic homogenization of auxetic unit cells can be used to investigate these properties, it is computationally expensive and limits design space exploration and inverse analysis. In this paper, surrogate models are developed for the real-time prediction of the effective elastic properties of auxetic unit cells with orthogonal voids of different shapes. The unit cells feature orthogonal voids in four distinct shapes, including rectangular, diamond, oval, and peanut-shaped voids, each characterized by specific void diameters. The generated surrogate models accept geometric parameters and the elastic properties of the base material as inputs to predict the effective elastic constants in real-time. This rapid evaluation enables a practical inverse analysis framework for obtaining the optimal design parameters that yield the desired effective response. The fast Fourier transform (FFT)-based homogenization approach is adopted to efficiently generate data for developing the surrogate models, bypassing concerns about periodic mesh generation and boundary conditions typically associated with the finite element method (FEM). The performance of the generated surrogate models is rigorously examined through a train/test split methodology, a parametric study, and an inverse problem. Finally, a graphical user interface (GUI) is developed, offering real-time prediction of the effective tangent stiffness and performing inverse analysis to determine optimal geometric parameters.

A finite element-based physics-informed operator learning framework for spatiotemporal partial differential equations on arbitrary domains

We propose a novel finite element-based physics-informed operator learning framework that allows for predicting spatiotemporal dynamics governed by partial differential equations (PDEs). The proposed framework employs a loss function inspired by the finite element method (FEM) with the implicit Euler time integration scheme. A transient thermal conduction problem is considered to benchmark the performance. The proposed operator learning framework takes a temperature field at the current time step as input and predicts a temperature field at the next time step. The Galerkin discretized weak formulation of the heat equation is employed to incorporate physics into the loss function, which is coined finite operator learning (FOL). Upon training, the networks successfully predict the temperature evolution over time for any initial temperature field at high accuracy compared to the FEM solution. The framework is also confirmed to be applicable to a heterogeneous thermal conductivity and arbitrary geometry. The advantages of FOL can be summarized as follows: First, the training is performed in an unsupervised manner, avoiding the need for a large data set prepared from costly simulations or experiments. Instead, random temperature patterns generated by the Gaussian random process and the Fourier series, combined with constant temperature fields, are used as training data to cover possible temperature cases. Second, shape functions and backward difference approximation are exploited for the domain discretization, resulting in a purely algebraic equation. This enhances training efficiency, as one avoids time-consuming automatic differentiation when optimizing weights and biases while accepting possible discretization errors. Finally, thanks to the interpolation power of FEM, any arbitrary geometry can be handled with FOL, which is crucial to addressing various engineering application scenarios.

Theory and implementation of inelastic Constitutive Artificial Neural Networks

Nature has always been our inspiration in the research, design and development of materials and has driven us to gain a deep understanding of the mechanisms that characterize anisotropy and inelastic behavior. All this knowledge has been accumulated in the principles of thermodynamics. Deduced from these principles, the multiplicative decomposition combined with pseudo potentials are powerful and universal concepts. Simultaneously, the tremendous increase in computational performance enabled us to investigate and rethink our history-dependent material models to make the most of our predictions. Today, we have reached a point where materials and their models are becoming increasingly sophisticated. This raises the question: How do we find the best model that includes all inelastic effects to explain our complex data? Constitutive Artificial Neural Networks (CANN) may answer this question. Here, we extend the CANNs to inelastic materials (iCANN). Rigorous considerations of objectivity, rigid motion of the reference configuration, multiplicative decomposition and its inherent non-uniqueness, restrictions of energy and pseudo potential, and consistent evolution guide us towards the architecture of the iCANN satisfying thermodynamics per design. We combine feed-forward networks of the free energy and pseudo potential with a recurrent neural network approach to take time dependencies into account. We demonstrate that the iCANN is capable of autonomously discovering models for artificially generated data, the response of polymers for cyclic loading and the relaxation behavior of muscle data. As the design of the network is not limited to visco-elasticity, our vision is that the iCANN will reveal to us new ways to find the various inelastic phenomena hidden in the data and to understand their interaction. Our source code, data, and examples are available at doi.org/10.5281/zenodo.10066805