Numerical and data-driven modeling of spall failure in polycrystalline ductile materials

2025/07/04 by Indrashish Saha, Saha, Indrashish, Lori Graham‐Brady +1
Engineering · #Advanced Surface Polishing Techniques #Advanced machining processes and optimization #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Metal Forming Simulation Techniques

paper · pdf · doi:10.48550/arxiv.2507.03706

openalex publication_date 2025/07/04 · openalex created_date 2025/10/22 · openalex updated_date 2026/07/30

Abstract

Developing materials with tailored mechanical performance requires iteration over a large number of proposed designs. When considering dynamic fracture, experiments at every iteration are usually infeasible. While high-fidelity, physics-based simulations can potentially reduce experimental efforts, they remain computationally expensive. As a faster alternative, key dynamic properties can be predicted directly from microstructural images using deep-learning surrogate models. In this work, the spallation of ductile polycrystals under plate-impact loading at strain rates of O(10⁶ s^-1) is considered. A physics-based numerical model that couples crystal plasticity and a cohesive zone model is used to generate data for the surrogate models. Three architectures - 3D U-Net, 3D Fourier Neural Operator (FNO-3D), and U-FNO were trained on the particle-velocity field data from the numerical model. The generalization of the models was evaluated using microstructures with varying grain sizes and aspect ratios. U-FNO and 3D U-Net performed significantly better than FNO-3D across all datasets. Furthermore, U-FNO and 3D U-Net exhibited comparable accuracy for every metric considered in this study. However, training the U-FNO requires almost twice the computational effort compared to the 3D U-Net, making it a desirable option for a surrogate model.

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