Adrian Buganza Tepole

L. River Spencer, William D. Meador, Adrian Buganza Tepole et al.

Calibrating thermomechanical material models from experiments is challenging because deformation, temperature, and force responses are strongly coupled, while measurements are usually restricted to specimen surfaces. We present a full-field calibration framework for coupled finite-strain thermomechanical material models using boundary displacement, reaction-force data, and temperature. The forward model is formulated as a near-incompressible thermo-hyperelastic problem with thermomechanical coupling derived from a Helmholtz free energy, and the inverse problem is posed as a PDE-constrained optimization problem with weighted observation terms for the available data streams. Reduced gradients are computed with adjoint sensitivities that are obtained by automatic differentiation, enabling gradient-based calibration of nonlinear transient thermomechanical systems. The formulation is first verified on synthetic examples involving uniform thermal preconditioning and localized transient rod contact, where the ground-truth parameters are recovered from full-field measurements and force observations. The same workflow is then applied to experimental thermomechanical data by first calibrating a hyperelastic mechanical baseline from cyclic equibiaxial loading and subsequently identifying thermal expansion and directional shrinkage parameters from surface-temperature and boundary-force histories. The results demonstrate that coupled thermomechanical parameters can be inferred from experimentally accessible surface data without requiring volumetric observations.

Mark Wilkinson, Amirhossein Amiri-Hezaveh, Adrian Buganza Tepole

Soft materials such as rubbers, hydrogels, and biological tissues undergo damage in the form of stiffness degradation without apparent changes in their stress-free geometry. Accurate simulation of this behavior is critical in applications ranging from soft robotics to the design of medical devices, yet two persistent challenges are the difficulty of constructing flexible, thermodynamically consistent constitutive models, and the mesh dependence of finite element solutions caused by strain softening. Here we address both challenges simultaneously by combining physics-augmented neural network constitutive models with a gradient-enhanced damage formulation implemented within the differentiable finite element framework JAX-FEM. The elastic strain energy and the damage yield function are each parameterized by input-convex neural networks (ICNNs), which enforce polyconvexity and satisfaction of the Clausius--Duhem inequality by design. The gradient-enhanced formulation introduces a non-local damage field governed by an additional partial differential equation, regularizing the spatial distribution of damage and eliminating mesh dependence. The implementation is validated through local stress-strain fits, single-element parametric studies, a mesh and solution strategy study for a uniform deformation case, and a notched plate simulation. The results demonstrate that the proposed framework enables flexible, data-driven, mesh-independent damage simulation for a broad class of soft materials. We anticipate that the open-source implementation will lower the barrier to adopting physics-augmented neural network constitutive models.

Vahidullah Tac, Manuel K Rausch, Ilias Bilionis et al.

Many natural materials exhibit highly complex, nonlinear, anisotropic, and heterogeneous mechanical properties. Recently, it has been demonstrated that data-driven strain energy functions possess the flexibility to capture the behavior of these complex materials with high accuracy while satisfying physics-based constraints. However, most of these approaches disregard the uncertainty in the estimates and the spatial heterogeneity of these materials. In this work, we leverage recent advances in generative models to address these issues. We use as building block neural ordinary equations (NODE) that -- by construction -- create polyconvex strain energy functions, a key property of realistic hyperelastic material models. We combine this approach with probabilistic diffusion models to generate new samples of strain energy functions. This technique allows us to sample a vector of Gaussian white noise and translate it to NODE parameters thereby representing plausible strain energy functions. We extend our approach to spatially correlated diffusion resulting in heterogeneous material properties for arbitrary geometries. We extensively test our method with synthetic and experimental data on biological tissues and run finite element simulations with various degrees of spatial heterogeneity. We believe this approach is a major step forward including uncertainty in predictive, data-driven models of hyperelasticity

Joel Laudo, Adrian Buganza Tepole

Reduced-order models (ROMs) are essential for rapid simulation of complex biomechanical systems and for bridging the gap between high fidelity models and clinical application. However, ROMs for tissue growth and remodeling (G&R) remain largely unexplored. Here, we present a Neural Ordinary Differential Equation (NODE) ROM framework that learns latent dynamics of coupled mechanical deformation and tissue growth, demonstrated in the context of skin growth during tissue expansion (TE). TE is a challenging problem involving nonlinear contact, history-dependent material behavior, and mechanobiology driven growth. The displacement field is compressed via Proper Orthogonal Decomposition (POD) into a low-dimensional latent space, and a NODE learns the resulting dynamics conditioned on patient-specific parameters. To address long-horizon error accumulation, a key challenge in autoregressive latent dynamical models, we propose a closed-loop architecture in which encoded features of the evolving growth field are fed back into the dynamics at each step. We compare feedback representations of increasing expressiveness: scalar, linear POD-based, and nonlinear CNN-based. The CNN-based growth feature feedback substantially stabilizes long-horizon rollouts. The best model captures 90.3% of validation cases within clinical tolerance based on the final skin area gain, compared to 43.7% for the open-loop baseline. Moreover, the NODE ROM achieves over 20000x the speed of full finite element simulations. More broadly, these results suggest that selectively retaining inexpensive physics of the state evolution and feeding features from these fields back into the latent dynamical system is a promising strategy for stable and accurate ROMs of G&R in biological tissues.

Adrian Buganza Tepole, Asghar Jadoon, Manuel Rausch et al.

Accurate constitutive models of soft materials are crucial for understanding their mechanical behavior and ensuring reliable predictions in the design process. To this end, scientific machine learning research has produced flexible and general material model architectures that can capture the behavior of a wide range of materials, reducing the need for expert-constructed closed-form models. The focus has gradually shifted towards embedding physical constraints in the network architecture to regularize these over-parameterized models. Two popular approaches are input convex neural networks (ICNN) and neural ordinary differential equations (NODE). A related alternative has been the generalization of closed-form models, such as sparse regression from a large library. Remarkably, all prior work using ICNN or NODE uses the invariants of the Cauchy-Green tensor and none uses the principal stretches. In this work, we construct general polyconvex functions of the principal stretches in a physics-aware deep-learning framework and offer insights and comparisons to invariant-based formulations. The framework is based on recent developments to characterize polyconvex functions in terms of convex functions of the right stretch tensor $\mathbf{U}$, its cofactor $\text{cof}\mathbf{U}$, and its determinant $J$. Any convex function of a symmetric second-order tensor can be described with a convex and symmetric function of its eigenvalues. Thus, we first describe convex functions of $\mathbf{U}$ and $\text{cof}\mathbf{U}$ in terms of their respective eigenvalues using deep Holder sets composed with ICNN functions. A third ICNN takes as input $J$ and the two convex functions of $\mathbf{U}$ and $\text{cof}\mathbf{U}$, and returns the strain energy as output. The ability of the model to capture arbitrary materials is demonstrated using synthetic and experimental data.

Vahidullah Taç, Amirhossein Amiri-Hezaveh, Manuel K. Rausch et al.

We propose a new framework for identifying mechanical properties of heterogeneous materials without a closed-form constitutive equation. Given a full-field measurement of the displacement field, for instance as obtained from digital image correlation (DIC), a continuous approximation of the strain field is obtained by training a neural network that incorporates Fourier features to effectively capture sharp gradients in the data. A physics-based data-driven method built upon ordinary neural differential equations (NODEs) is employed to discover constitutive equations. The NODE framework can represent arbitrary materials while satisfying constraints in the theory of constitutive equations by default. To account for heterogeneity, a hyper-network is defined, where the input is the material coordinate system, and the output is the NODE-based constitutive equation. The parameters of the hyper-network are optimized by minimizing a multi-objective loss function that includes penalty terms for violations of the strong form of the equilibrium equations of elasticity and the associated Neumann boundary conditions. We showcase the framework with several numerical examples, including heterogeneity arising from variations in material parameters, spatial transitions from isotropy to anisotropy, material identification in the presence of noise, and, ultimately, application to experimental data. As the numerical results suggest, the proposed approach is robust and general in identifying the mechanical properties of heterogeneous materials with very few assumptions, making it a suitable alternative to classical inverse methods.

Vahidullah Tac, Francisco S. Costabal, Adrian Buganza Tepole

Data-driven methods are becoming an essential part of computational mechanics due to their unique advantages over traditional material modeling. Deep neural networks are able to learn complex material response without the constraints of closed-form approximations. However, imposing the physics-based mathematical requirements that any material model must comply with is not straightforward for data-driven approaches. In this study, we use a novel class of neural networks, known as neural ordinary differential equations (N-ODEs), to develop data-driven material models that automatically satisfy polyconvexity of the strain energy function with respect to the deformation gradient, a condition needed for the existence of minimizers for boundary value problems in elasticity. We take advantage of the properties of ordinary differential equations to create monotonic functions that approximate the derivatives of the strain energy function with respect to the invariants of the right Cauchy-Green deformation tensor. The monotonicity of the derivatives guarantees the convexity of the energy. The N-ODE material model is able to capture synthetic data generated from closed-form material models, and it outperforms conventional models when tested against experimental data on skin, a highly nonlinear and anisotropic material. We also showcase the use of the N-ODE material model in finite element simulations. The framework is general and can be used to model a large class of materials. Here we focus on hyperelasticity, but polyconvex strain energies are a core building block for other problems in elasticity such as viscous and plastic deformations. We therefore expect our methodology to further enable data-driven methods in computational mechanics

Yue Leng, Vahidullah Tac, Sarah Calve et al.

Biopolymer gels, such as those made out of fibrin or collagen, are widely used in tissue engineering applications and biomedical research. Moreover, fibrin naturally assembles into gels in vivo during wound healing and thrombus formation. Macroscale biopolymer gel mechanics are dictated by the microscale fiber network. Hence, accurate description of biopolymer gels can be achieved using representative volume elements (RVE) that explicitly model the discrete fiber networks of the microscale. These RVE models, however, cannot be efficiently used to model the macroscale due to the challenges and computational demands of multiscale coupling. Here, we propose the use of an artificial, fully connected neural network (FCNN) to efficiently capture the behavior of the RVE models. The FCNN was trained on 1100 fiber networks subjected to 121 biaxial deformations. The stress data from the RVE, together with the total energy and the condition of incompressibility of the surrounding matrix, were used to determine the derivatives of an unknown strain energy function with respect to the deformation invariants. During training, the loss function was modified to ensure convexity of the strain energy function and symmetry of its Hessian. A general FCNN model was coded into a user material subroutine (UMAT) in the software Abaqus. In this work, the FCNN trained on the discrete fiber network data was used in finite element simulations of fibrin gels using our UMAT. We anticipate that this work will enable further integration of machine learning tools with computational mechanics. It will also improve computational modeling of biological materials characterized by a multiscale structure.

Casey Stowers, Taeksang Lee, Ilias Bilionis et al.

Excessive loads near wounds produce pathological scarring and other complications. Presently, stress cannot easily be measured by surgeons in the operating room. Instead, surgeons rely on intuition and experience. Predictive computational tools are ideal candidates for surgery planning. Finite element (FE) simulations have shown promise in predicting stress fields on large skin patches and complex cases, helping to identify potential regions of complication. Unfortunately, these simulations are computationally expensive and deterministic. However, running a few, well-selected FE simulations allows us to create Gaussian process (GP) surrogate models of local cutaneous flaps that are computationally efficient and able to predict stress and strain for arbitrary material parameters. Here, we create GP surrogates for the advancement, rotation, and transposition flaps. We then use the predictive capability of these surrogates to perform a global sensitivity analysis, ultimately showing that fiber direction has the most significant impact on strain field variations. We then perform an optimization to determine the optimal fiber direction for each flap for three different objectives driven by clinical guidelines. While material properties are not controlled by the surgeon and are actually a source of uncertainty, the surgeon can in fact control the orientation of the flap. Therefore, fiber direction is the only material parameter that can be optimized clinically. The optimization task relies on the efficiency of the GP surrogates to calculate the expected cost of different strategies when the uncertainty of other material parameters is included. We propose optimal flap orientations for the three cost functions and that can help in reducing stress resulting from the surgery and ultimately reduce complications associated with excessive mechanical loading near wounds.