用几何深度学习预测冷喷涂中粒子撞击的热力响应,效果优于传统方法。
Geometric and Topological Deep Learning for Predicting Thermo-mechanical Performance in Cold Spray Deposition Process Modeling
- 将工艺参数建模为图节点,利用空间邻近关系提升预测能力。
- 图神经网络在多数目标上达到0.93以上决定系数,最高达0.97。
- 适合材料加工优化、智能制造领域的研究人员参考。
本研究提出一种几何深度学习框架,基于有限元仿真数据预测冷喷涂粒子撞击响应。通过自动化Abacus模拟生成参数化数据集,涵盖粒子速度、温度和摩擦系数的系统范围,输出包括最大等效塑性应变、平均接触塑性应变、最大温度、最大冯·米塞斯应力及变形比五个目标。实现了四种新算法:类GraphSAGE的归纳式图神经网络、切比雪夫谱图卷积网络、拓扑数据分析增强的多层感知机以及几何注意力网络。每个输入样本被视为特征空间中的节点,构建k近邻图以捕捉工艺条件间的空间相似性。三维特征空间可视化与二维轮廓投影表明输入输出关系高度非线性且受速度主导。定量评估显示,GraphSAGE与GAT在多数目标上均实现超过0.93的决定系数(R²),其中GAT在最大塑性应变上达到0.97的峰值;而ChebSpectral与TDA-MLP表现较差,部分目标甚至出现负R²值。结果证实基于空间图的邻域聚合是冷喷涂过程优化中稳健且具物理可解释性的代理建模策略。
原文摘要 · Abstract (English)
This study presents a geometric deep learning framework for predicting cold spray particle impact responses using finite element simulation data. A parametric dataset was generated through automated Abaqus simulations spanning a systematic range of particle velocity, particle temperature, and friction coefficient, yielding five output targets including maximum equivalent plastic strain, average contact plastic strain, maximum temperature, maximum von Mises stress, and deformation ratio. Four novel algorithms i.e. a GraphSAGE-style inductive graph neural network, a Chebyshev spectral graph convolution network, a topological data analysis augmented multilayer perceptron, and a geometric attention network were implemented and evaluated. Each input sample was treated as a node in a k-nearest-neighbour feature-space graph, enabling the models to exploit spatial similarity between process conditions during training. Three-dimensional feature space visualisations and two-dimensional contour projections confirmed the highly non-linear and velocity-dominated nature of the input-output relationships. Quantitative evaluation demonstrated that GraphSAGE and GAT consistently achieved R-square values exceeding 0.93 across most targets, with GAT attaining peak performance of R-square equal to 0.97 for maximum plastic strain. ChebSpectral and TDA-MLP performed considerably worse, yielding negative R-square values for several targets. These findings establish spatial graph-based neighbourhood aggregation as a robust and physically interpretable surrogate modelling strategy for cold spray process optimisation.
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