Spinodoid metamaterials
A new class of metamaterials
After a decade of periodic truss-, plate-, and shell-based architectures having dominated the design of metamaterials, we introduced the new class of spinodoid metamaterials. Inspired by natural self-assembly processes, spinodoid metamaterials are a close approximation of microstructures observed during spinodal phase separation in, e.g., nanoporous metal foams, microemulsions, and polymer blends.
Topology generation by in silico mimicking the interfacial topolgy during spinodal decomposition (Kumar et al., 2020)
Additively manufactured spinodoid topology
Spinodoid metamaterials offer several advantages over conventional metamaterials.
Spinodoid metamaterials consist of smooth, non-intersecting, and bi-continuous surfaces that avoid points of stress concentration (unlike truss- and plate-based metamaterials) while also showing excellent scaling of stiffness and strength with respect to density (leveraging the benefits of doubly-curved surfaces that engage slender structures primarily in stretching rather than bending).
The non-periodicity and lack of symmetry in spinodoid topologies make them more resilient to fabrication-based symmetry-breaking defects – by contrast to periodic metamaterials whose sensitivity to defects deteriorates their mechanical properties.
Spinodoid topologies cover an extreme and seamless range of anisotropic (direction-dependent) mechanical properties, as demonstrated, e.g., by their tailorable anisotropic elastic moduli – creating materials that are stiff in some directions and soft in others.
Spinodoid metamaterials with seamless anisotropy (from left to right): isotropic, lamellar, columnar, and cubic topologies.
Inverse-designed mechanics by machine learning
We showed that the spinodoid design space can be integrated with an efficient and robust machine learning (ML) technique for the inverse design of (meta-)materials, in particular, uniform and functionally-graded cellular mechanical metamaterials with tailored direction-dependent (anisotropic) stiffness and density.
We explored the application of this inverse design framework toward synthetic bones and scaffolds. Specifically, the inverse design ML model accurately predicts topologies that match the target relative density and anisotropic elastic stiffness as well as bear geometric resemblance to the natural trabecular bone topologies and achieves this, remarkably, without prior information about bone during the learning stage.
We further validated the ML-design framework using two-photon lithography and nanomechanical testing to design and fabricate 3D porous scaffolds with the prescribed elastic properties. These theory-informed experiments are in close agreement with ML-predicted shape and stiffness anisotropy, which opens a pathway for uncovering previously unattainable design space of hierarchical materials in a quantifiable and deterministic way, useful in multiple applications, i.e., bio-scaffolds, heat exchangers, and deployable structures.
ML-driven inverse design for mimicking trabecular bone (Kumar et al., 2020, Deng et al., 2024)
Inverse-designed curvature profiles for bio-scaffolds and implants (Guo et al., 2024)
Curvatures-by-design for bio-scaffolds and implants
In bio-scaffolds and implants, topological properties are just as crucial as mechanical properties for ensuring biocompatibility. For instance, the microstructural curvature of metamaterial-based scaffolds significantly influences spatiotemporal growth, differentiation, and migration of biological cells and tissues. But how can we design tunable curvature topologies that adapt to patient-specific and anatomical site-specific requirements?
We explored surface curvature as a design parameter in spinodoid metamaterials to create topologies with tailored curvature profiles. By integrating microstructural curvature into the energetics of spinodal decomposition and leveraging machine learning-based inverse design frameworks, we can generate diverse topologies with tubular, membranous, or particulate features. Our work demonstrated the successful inverse design of topologies that mimic the curvature profile of trabecular bone, specifically for applications in bio-scaffolds and implants.
Additionally, we bridged curvature and mechanics, showing how topological curvature can be engineered to promote mechanically advantageous stretching-dominated deformation, as opposed to bending-dominated deformation.
Toplogy optimization for lightweight spinodoid structures
We presented a two-scale topology optimization framework for the design of macroscopic bodies with an optimized elastic response, which is achieved by means of a spatially-variant spinodoid architecture on the microscale. As a departure from classical FE2-type approaches, we replaced the costly microscale homogenization by a ML-based surrogate model (using deep neural networks). We designed porous structures for minimal compliance with structural features spanning several orders of magnitude in lengthscale.
ML-driven two-scale topology optimization for compliance minimization (Zheng et al., 2021)
Experiment-to-design: bypassing simulations for large deformations
While the elastic mechanical properties of spinodoid metamaterials have been systematically determined, their large-deformation, nonlinear responses have been challenging to predict and design, in part due to limited data sets and the need for complex nonlinear simulations. We developed a novel physics-enhanced machine learning (ML) and optimization framework tailored to address the challenges of designing intricate spinodal metamaterials with customized mechanical properties in large-deformation scenarios where computational modeling is restrictive and experimental data is sparse. By utilizing large-deformation experimental data directly, this approach facilitates the inverse design of spinodal structures with precise finite-strain mechanical responses. Altogether, this combined ML, experimental, and computational effort provides a route for efficient and accurate design of complex spinodal metamaterials for large-deformation and energy absorption scenarios where prediction of nonlinear failure mechanisms is essential.
Large compression of spinodal metamaterials manufactured by two photon lithography (Thakolkaran et al., 2024)
Publications
S. Kumar, S. Tan, L. Zheng, D. M. Kochmann, Inverse-designed spinodoid metamaterials, npj Computational Materials, 6 (2020), 73. [code-topology] [code-ml] [data] (requires GIBBON: https://www.gibboncode.org/)
L. Zheng, S. Kumar, D. M. Kochmann, Data-driven topology optimization of spinodoid metamaterials with seamlessly tunable anisotropy, Computer Methods in Applied Mechanics and Engineering, 383 (2021), 113894.
W. Deng, S. Kumar, A. Vallone, D.M. Kochmann, J.R. Greer, AI-enabled materials design of non-periodic 3D architectures with predictable direction-dependent elastic properties, Advanced Materials, 2308149 (2024). [code-topology] [code-ml] [data]
Y. Guo, S. Sharma, S. Kumar, Inverse designing surface curvatures by deep learning, Advanced Intelligent Systems, 2300789 (2024). [code] [data]
P. Thakolkaran*, M.A. Espinal*, S. Dhulipala, S. Kumar*, C.M. Portela*, Experiment-informed finite-strain inverse design of spinodal metamaterials, Arxiv: 2312.11648