Thermally Conditioned Time-Series Forecasting of Grain Growth in Polycrystalline Materials

Abstract

Grain growth during heat treatment strongly affects the microstructure of polycrystalline materials and, consequently, their mechanical properties. Although numerical methods such as front-tracking or front-capturing simulations can accurately describe grain growth, their high computational cost limits their use for long or non-isothermal thermal cycles. In previous work, grain growth was successfully predicted under isothermal conditions by treating grain size distributions as time series and forecasting their evolution using recurrent neural networks, allowing complete grain growth trajectories to be generated in seconds rather than through costly PDE-based simulations. In the present work, this forecasting framework is reformulated to handle non-isothermal conditions by explicitly incorporating thermal information into the model architecture. Grain size distributions are encoded using a convolutional neural network, thermal descriptors are embedded through a dedicated multilayer perceptron, and temporal evolution is predicted using a recurrent network. Instantaneous temperature and thermal rate are provided at each time step, allowing the model to adapt its predictions to changi