Microstructure-Conditioned Surrogate Models for Graded Multiscale Optimization of Mycelium Composites

Emerging sustainable materials increasingly rely on engineered hierarchy and microstructure to achieve control of their properties and mechanical behavior. Optimizing these materials with controllable microstructures requires efficient multiscale simulations. Data-driven surrogate models for the microscale can accelerate multiscale simulations, but require large amounts of data even for a fixed microstructure. When a range of microstructures is considered, as is the case in multiscale optimization, even more data is needed to train a surrogate. To overcome this challenge, we condition a hybrid physics-data surrogate on microstructural variables using a hypernetwork. This approach enables accurate predictions of multiscale mechanical behavior for a mycelium-woodchip composite material, even when trained on small datasets. The conditioned surrogate makes multiscale simulations of functionally graded structures tractable, and we validate it against a full FE^2 simulation. We optimize a graded multiscale disk, and reduce the peak stress by 42% compared to one with a random microstructure. Then, we go one step further, conditioning the network directly on manufacturing variables that can have a complex influence on the microstructure. This is a practical route to engineer the microscale for desired macroscale behavior. This contribution highlights the benefits of microarchitectured structures and demonstrates how conditioned surrogate models enable their multiscale optimization, which will accelerate the development and design of future sustainable materials and structures.

Deep material network for homogenization of piezoelectric composites

Piezoelectric composites are widely used in sensors, actuators, transducers, and energy-harvesting devices because their effective electromechanical performance can be tailored by combining constituent phases and microstructural architecture. However, conventional computational homogenization based on direct numerical simulation (DNS) is computationally expensive, particularly for multiscale simulations and material design tasks that require repeated homogenization analyses. To address this limitation, this work proposes a piezoelectric deep material network (PDMN) to efficiently homogenize two-phase piezoelectric composites. The proposed framework embeds the governing electromechanical homogenization relations directly into the network architecture, yielding a physics-informed, semi-analytical surrogate that explicitly captures the two-way coupling between the mechanical and electrical fields across constituent phases. The network is trained offline on linear electroelastic datasets and, through a fully coupled Newton--Raphson solution with a consistent electromechanical tangent, subsequently used for efficient online prediction under broader constitutive settings, including nonlinear electroelasticity and history-dependent responses. The framework is validated on two-phase composites of polyvinylidene fluoride (PVDF) and lithium niobate (LiNbO$_3$) with reversed phase arrangements under nonlinear electroelastic loading, and on a viscoelastic--piezoelectric composite exhibiting coupled stress relaxation. Numerical examples show that the proposed PDMN achieves high predictive accuracy while reducing the computational cost by more than three orders of magnitude compared with DNS. The proposed framework, therefore, provides an efficient and reliable surrogate for the multiscale analysis and design of piezoelectric composites.