arXiv:2511.11630cs.LGcond-mat.mtrl-sci2025-11被引 1

用深度学习预测多晶材料晶粒生长,速度快且准确。

Predicting Grain Growth in Polycrystalline Materials Using Deep Learning Time Series Models

  • 用LSTM模型基于历史晶粒尺寸分布预测未来演化
  • 准确率超90%,单次预测从20分钟缩短至数秒
  • 适合材料数字孪生与工艺优化场景

晶粒生长显著影响材料力学性能,其预测是微观结构工程的关键目标。本研究评估了多种深度学习方法,包括循环神经网络(RNN)、长短期记忆网络(LSTM)、时序卷积网络(TCN)和Transformer,用于预测晶粒生长过程中的晶粒尺寸分布。不同于计算成本高的全场模拟,本文基于高保真模拟提取的均场统计描述符构建数据集。共处理120条晶粒生长序列,将其转化为随时间变化的归一化晶粒尺寸分布。模型通过递归预测策略,从短时历史预测未来分布。在所有模型中,LSTM表现最佳,准确率超过90%,且在长时间预测中保持物理一致性,计算时间由每序列约20分钟降至数秒;其他架构在远期预测中易发散。结果表明,低维描述符结合LSTM可实现高效精准的微观结构预测,对数字孪生开发与工艺优化具有直接意义。

原文摘要 · Abstract (English)

Grain Growth strongly influences the mechanical behavior of materials, making its prediction a key objective in microstructural engineering. In this study, several deep learning approaches were evaluated, including recurrent neural networks (RNN), long short-term memory (LSTM), temporal convolutional networks (TCN), and transformers, to forecast grain size distributions during grain growth. Unlike full-field simulations, which are computationally demanding, the present work relies on mean-field statistical descriptors extracted from high-fidelity simulations. A dataset of 120 grain growth sequences was processed into normalized grain size distributions as a function of time. The models were trained to predict future distributions from a short temporal history using a recursive forecasting strategy. Among the tested models, the LSTM network achieved the highest accuracy (above 90\%) and the most stable performance, maintaining physically consistent predictions over extended horizons while reducing computation time from about 20 minutes per sequence to only a few seconds, whereas the other architectures tended to diverge when forecasting further in time. These results highlight the potential of low-dimensional descriptors and LSTM-based forecasting for efficient and accurate microstructure prediction, with direct implications for digital twin development and process optimization.

晶粒生长深度学习数字孪生

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