Emulating microstructural evolution during spinodal decomposition using a tensor decomposed convolutional and recurrent neural network

Abstract

Phase-field (PF) models are one of the most powerful tools to simulate microstructural evolution in metallic materials, polymers, and ceramics. However, existing PF approaches rely on rigorous mathematical model development, sophisticated numerical schemes, and high-performance computing for accuracy. Although recently developed surrogate microstructure models employ deep-learning techniques and reconstruction of microstructures from lower-dimensional data, their accuracy is fairly limited as spatiotemporal information is lost in the pursuit of dimensional reduction. Given these limitations, we present a novel data-driven emulator (DDE) for predicting microstructural evolution, which combines an image-based convolutional and recurrent neural network (CRNN) with tensor decomposition, while leveraging previously obtained PF datasets for training. To assess the robustness of DDE, we also compare the emulation sequence and the scaling behavior with phase-field simulations for several noisy initial states. Finally, we discuss the effectiveness of our microstructure emulation technique in the context of runtime speed-up while also highlighting its trade-off with accuracy.