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arXiv 2603.09693cs.LGcond-mat.mtrl-sciphysics.comp-ph
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具有物理信息的神经算子用于预测参数相场建模

Physics-informed neural operator for parametric phase-field modelling of interfacial degradation and microstructural evolution

Tongji University, College of Civil Engineering(同济大学,土木工程学院);Tongji University, State Key Laboratory of Disaster Reduction in Civil Engineering(同济大学,灾害防治工程重点实验室)

Nanxi Chen, Airong Chen, Rujin Ma

AI总结:

本文提出了一种具有物理信息的神经算子框架PF-PINO,用于预测参数相场建模,通过嵌入相场方程残差到损失函数中,提升了模型的准确性和稳定性。

摘要:

通过相场建模预测材料的微观结构和形态演变是计算密集型的,尤其是在高通量参数研究中。虽然神经算子如傅里叶神经算子(FNO)在加速参数偏微分方程(PDEs)的求解方面显示出潜力,但缺乏显式的物理约束可能会限制其在复杂相场动力学中的泛化能力和长期准确性。在这里,我们开发了一个具有物理信息的神经算子框架来学习参数相场PDEs,即PF-PINO。通过将相场控制方程的残差嵌入到数据保真损失函数中,我们的框架在训练过程中有效强制了物理约束。我们通过基准相场问题验证了PF-PINO,包括电化学腐蚀、树状晶体固结和共析分解。我们的结果表明,PF-PINO在准确度、泛化能力和长期稳定性方面显著优于传统FNO。这项工作为相场建模提供了一个稳健且高效的计算工具,并突显了具有物理信息的神经算子在复杂界面演变问题中推动科学机器学习的潜力。

英文摘要:

Predicting interfacial degradation and microstructural evolution through phase-field modelling is computationally intensive, particularly for parametric studies. While neural operators such as the Fourier neural operator (FNO) offer a promising route to acceleration, the absence of physical constraints compromises their generalisation and long-term stability. Here, we present PF-PINO, a physics-informed neural operator framework that embeds phase-field governing equation residuals directly into the training loss, together with gradient normalisation loss balancing and a staggered training scheme for coupled multi-field systems. PF-PINO is validated on four benchmarks including pencil-electrode corrosion, electro-polishing corrosion, dendritic solidification, and spinodal decomposition, collectively probing parametric generalisation across orders-of-magnitude kinetic regimes, non-periodic boundaries with stochastic morphologies, coupled multi-field dynamics with out-of-distribution extrapolation, and long-term autoregressive stability under complex pattern formation. Across all benchmarks, PF-PINO reduces relative $L^2$ errors by up to an order of magnitude over FNO and achieves sub-mesh-size interface accuracy, establishing a data-efficient surrogate for high-throughput parametric phase-field assessment in computational materials science and engineering applications.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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