用机器学习从浅层压痕数据中准确恢复钢材真实硬度。
Data-Efficient Indentation Size Effect Correction in Steels Using Machine Learning and Physics-Constrained Neural Network

- 基于物理约束的神经网络,通过无量纲力学特征学习修正因子。
- 在未训练负载范围外仍稳定,误差仅0.28 GPa,远超传统模型。
- 仅需几百个压痕数据,适合缺乏解析模型的材料体系。
浅层纳米压痕可实现薄膜、单相等受限体积材料的力学表征,但测量硬度受压痕尺寸效应(ISE)影响而被高估。经典修正方法如Nix-Gao需深载荷线性区,在仅有浅层测量时失效。本文提出一种数据高效流程,直接从浅层、受尺寸效应影响的压痕数据中恢复高载荷参考硬度。对三种认证钢块(2–6.5 GPa)超过700次压痕数据进行物理引导增强,训练常规回归器(岭回归、随机森林、XGBoost、神经网络)和物理约束神经网络(PCNN),后者通过受限形式 H_ref = H_app/sqrt(1+q) 重构硬度,其中修正量 q 由无量纲接触力学描述符(E_r,ref*P_max/S^2, W_p/W_tot, H/E_r)学习得出。在隔离测试的第四种钢上,仅受限模型泛化成功:基于无量纲输入的PCNN实现RMSE = 0.28 GPa,MAPE = 3.6%,且在训练载荷范围外保持稳定,树基模型则结构失效。消融分析表明鲁棒性源于受限重构与载荷无关正则化。故意应用于熔融石英导致系统失败,表明该方法限于位错介导的晶体塑性。因此,仅需数百个实验室压痕即可训练一个可在单次浅层压痕上运行的物理约束型ISE修正模型,为缺乏解析尺寸效应模型的材料提供通用模板。
原文摘要 · Abstract (English)
Shallow nanoindentation enables mechanical characterization of thin films, individual phases, and other volume-constrained materials, but the measured hardness is inflated by the indentation size effect (ISE). Classical corrections such as Nix-Gao require a deep linear regime and fail when only shallow measurements are accessible. We present a data-efficient workflow that recovers a high-load reference hardness directly from shallow, size-affected indentation data. Over 700 indentations on three certified steel reference blocks (2-6.5 GPa) were expanded by physics-guided augmentation and used to train conventional regressors (Ridge, Random Forest, XGBoost, neural networks) and a physics-constrained neural network (PCNN) that reconstructs hardness through the bounded form H_ref = H_app/sqrt(1+q), with the signed correction q learned from dimensionless contact-mechanics descriptors (E_r,ref*P_max/S^2, W_p/W_tot, H/E_r). On a quarantined fourth steel tested at loads offset from the training schedule, only the constrained formulation generalized: the dimensionless-input PCNN achieved RMSE = 0.28 GPa and MAPE = 3.6%, and remained stable beyond the training load range, where tree-based models failed structurally. Ablation attributed this robustness to the bounded reconstruction and a load-independence regularizer. Deliberate application to fused silica produced systematic failure, delimiting the method to dislocation-mediated crystalline plasticity. A few hundred laboratory indentations thus suffice to train a physically constrained ISE correction operating on single shallow indentations, offering a template for materials lacking analytical size-effect models.
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