Data-Driven Statistical Reduced-Order Modeling and Quantification of Polycrystal Mechanics Leading to Porosity-Based Ductile Damage

Abstract: Predicting the process of porosity-based ductile damage in polycrystalline metallic materials is an essential practical topic. Ductile damage and its precursors are represented by extreme values in stress and material state quantities, the spatial PDF of which are highly non-Gaussian with strong fat tails. Traditional deterministic forecasts using physical models often fail to capture the statistics of structural evolution during material deformation. This study proposes a data-driven statistical reduced-order modeling framework to provide a probabilistic forecast of the deformation process leading to porosity-based ductile damage, with uncertainty quantification. The framework starts with computing the time evolution of the leading moments of specific state variables from full-field polycrystal simulations. Then a sparse model identification algorithm based on causation entropy, including essential physical constraints, is used to discover the governing equations of these moments. An approximate solution of the time evolution of the PDF is obtained from the predicted moments exploiting the maximum entropy principle. Numerical experiments based on polycrystal realizations show that the model can characterize the time evolution of the non-Gaussian PDF of the von Mises stress and quantify the probability of extreme events. The learning process also reveals that the mean stress interacts with higher-order moments and extreme events in a strongly nonlinear and multiplicative fashion. In addition, the calibrated moment equations provide a reasonably accurate forecast when applied to the realizations outside the training data set, indicating the robustness of the model and the skill for extrapolation. Finally, an information-based measurement shows that the leading four moments are sufficient to characterize the crucial non-Gaussian features throughout the entire deformation history.