用深度学习求解非局部相场模型,实现精确尖锐界面与高效计算。
An End-to-End Deep Learning Method for Solving Nonlocal Allen-Cahn and Cahn-Hilliard Phase-Field Models
- 构建非局部相场模型,结合神经网络与残差损失函数。
- 单网格单元宽的相变界面,精度高且计算成本降低。
- 适合需精确模拟界面演化的材料模拟研究者。
本文提出一种高效的端到端深度学习方法,用于求解非局部Allen-Cahn(AC)和Cahn-Hilliard(CH)相场模型。传统离散化方法导致相间为弥散界面,需大幅细化网格才能逼近真实尖锐界面,而该方法引入非质量守恒的非局部AC或CH模型,采用常规、对数或障碍型双阱势能,因非局部性可实现完全尖锐的相界面。其离散化可使相变宽度仅为单个网格单元。为降低求解成本,设计基于傅里叶配置法与半隐式时间逼近的残差损失函数,并在神经网络中引入非局部核作为输入通道以处理长程相互作用。通过大量数值实验验证了该方法在精度、结构保持性、预测能力及计算效率方面的优势。
原文摘要 · Abstract (English)
We propose an efficient end-to-end deep learning method for solving nonlocal Allen-Cahn (AC) and Cahn-Hilliard (CH) phase-field models. One motivation for this effort emanates from the fact that discretized partial differential equation-based AC or CH phase-field models result in diffuse interfaces between phases, with the only recourse for remediation is to severely refine the spatial grids in the vicinity of the true moving sharp interface whose width is determined by a grid-independent parameter that is substantially larger than the local grid size. In this work, we introduce non-mass conserving nonlocal AC or CH phase-field models with regular, logarithmic, or obstacle double-well potentials. Because of non-locality, some of these models feature totally sharp interfaces separating phases. The discretization of such models can lead to a transition between phases whose width is only a single grid cell wide. Another motivation is to use deep learning approaches to ameliorate the otherwise high cost of solving discretized nonlocal phase-field models. To this end, loss functions of the customized neural networks are defined using the residual of the fully discrete approximations of the AC or CH models, which results from applying a Fourier collocation method and a temporal semi-implicit approximation. To address the long-range interactions in the models, we tailor the architecture of the neural network by incorporating a nonlocal kernel as an input channel to the neural network model. We then provide the results of extensive computational experiments to illustrate the accuracy, structure-preserving properties, predictive capabilities, and cost reductions of the proposed method.
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