Data-Driven Discovery of Composition-Dependent Constitutive Models for Hyperelasticity and Viscoelasticity of Digital Materials
Authors: Josué García-Ávila, Beijun Shen, Manuel K. Rausch, Mary C. Boyce, Adrián Buganza-Tepole
Organizations: Department of Mechanical Engineering, Columbia University, New York City, USA · Department of Aerospace Engineering and Engineering Mechanics, University of Texas at Austin, Austin, USA · Department of Biomedical Engineering, University of Texas at Austin, Austin, USA · Department of Mechanical Engineering, University of Texas at Austin, Austin, USA
Abstract
Digital materials fabricated by multi-material 3D printing are designed as controlled mixtures of stiff and compliant constituents, yielding effective responses that span more than an order of magnitude in apparent stiffness and exhibit strongly nonlinear, composition-dependent, and rate-dependent dissipative behavior. Classical finite-strain viscoelastic models represent such behavior with closed-form strain energy functions for equilibrium and non-equilibrium stresses as well as evolution of internal variables, which may limit flexibility when a single constitutive model is expected to generalize across materials and loading rates. Here, we present a data-driven multi-material constitutive modeling framework that generalizes a formulation by Bergström and Boyce. The proposed framework retains the structure of the classical model, namely multiplicative kinematics, invariant-based strain-energy functions, and a scalar dissipative evolution law directed along the normalized nonequilibrium deviatoric stress. For the equilibrium branch, the data-driven discovery framework either directly predicts closed-form model parameters as functions of composition or automatically constructs a polyconvex strain-energy function using neural ordinary differential equations (NODEs). The nonequilibrium branch kinetics are learned similarly, either by directly identifying closed-form parameters across compositions or by using appropriately constrained artificial neural networks. Using multi-rate uniaxial compression data across multiple material compositions, we show that the proposed formulation captures rate-dependent stiffness and hysteresis across compositions while preserving thermodynamic consistency.
A key problem of solid mechanics is the identification of the constitutive law of a material, that is, the relation between strain history and stress. Machine learning has lead to considerable advances in this field lately. Here we introduce inelastic Constitutive Kolmogorov-Arnold Networks (iCKANs). This novel artificial neural network architecture can discover in an automated manner symbolic constitutive laws describing both the elastic and inelastic behavior of materials. That is, it can translate data from material testing into corresponding elastic and inelastic potential functions in closed mathematical form. We demonstrate the advantages of iCKANs using both synthetic data and experimental data of the viscoelastic polymer materials VHB 4910 and VHB 4905. The results demonstrate that iCKANs accurately capture complex viscoelastic behavior while preserving physical interpretability. It is a particular strength of iCKANs that they can process not only mechanical data but also arbitrary additional information available about a material (e.g., about temperature-dependent behavior). This makes iCKANs a powerful tool to discover in the future also how specific processing or service conditions affect the properties of materials.
The identification of constitutive neural network models from heterogeneous full-field deformation data provides a robust alternative to traditional calibration methods based on homogeneous stress-strain experiments, particularly given the high dimensionality of trainable parameters. Existing approaches must balance generality, robustness, and computational efficiency: Conventional finite element model updating is broadly applicable but computationally demanding; weak-form methods offer efficiency but are sensitive to noise and data scarcity; neural operator models are highly expressive but require extensive training datasets. This work presents FE-MAD (Finite Element-Based Material learning via Automatic Differentiation), an end-to-end differentiable framework that integrates a constitutive neural network model within a JAX-FEM nonlinear solver and identifies its parameters through gradient-based minimization of a measurement-mismatch loss. Newton tangent stiffness and loss gradients are computed automatically using forward- and reverse-mode automatic differentiation throughout the entire pipeline, thereby removing the need for analytic adjoints or offline surrogate models. FE-MAD is demonstrated for two architectures: a grey-box Constitutive Artificial Neural Network (CANN), a polyconvex, fully connected model with high flexibility, and a white-box CANN, an expert-system network with phenomenologically interpretable strain-energy terms. Focusing on incompressible isotropic hyperelasticity, FE-MAD is evaluated on three open experimental datasets: (1) full digital image correlation (DIC) of a perforated tensile specimen, (2) a reduced-data scenario with a one-dimensional stretch profile and global force-displacement curve, and (3) a heterogeneous matrix-inclusion system in which both phases constitutive laws are identified and generalized to twenty-two previously unseen samples.
Multimaterial 3D printing enables the fabrication of functionally graded components, but optimizing their spatial material distribution alongside structural topology remains a formidable challenge due to high-dimensional design spaces and complex constitutive modeling. This paper presents an end-to-end computational framework integrating sparsified physics-augmented neural networks with finite-element-based topology optimization. By extracting closed-form, composition-aware hyperelastic constitutive laws from experimental data, this approach facilitates exact symbolic differentiation via the adjoint state method implemented with FEniCSx, efficiently circumventing the bottlenecks of applying neural network constitutive models. This pipeline is deployed on soft robotic gripper applications, demonstrating continuous composition optimization for highly anisotropic contact responses, and the concurrent optimization of macroscopic topology and material distribution under non-failure stretch constraints. This methodology could replace laborious empirical prototyping, establishing interpretable machine-learning models as practical, robust design primitives for advanced multimaterial additive manufacturing.