多晶材料晶粒生长的热条件化时间序列预测
Thermally Conditioned Time-Series Forecasting of Grain Growth in Polycrystalline Materials
Eliane Younes, Elie Hachem, Marc Bernacki
AI 速览：作者将晶粒尺寸分布视为时间序列，在循环神经网络框架中显式嵌入温度与热速率信息，以预测非等温热处理下的晶粒生长演化。
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 changing thermal conditions. The framework is trained and evaluated on datasets generated from validated front-tracking simulations across a wide range of non-isothermal thermal paths. The results show that the thermally conditioned model accurately reproduces grain growth dynamics under complex thermal histories, achieving, in k-fold cross-validation over all simulations, mean relative errors of 2.99% (one-hour cycles) and 4.51% (four-hour cycles) with coefficients of determination exceeding 0.99, and mean relative errors between 1.91% and 14.66% on ten simulations following four unseen thermal histories of increasing complexity.