用机器学习预测激光纹理金属表面的润湿性,准确率高达94.2%
Machine learning model for predicting surface wettability in laser-textured metal alloys
- 基于表面形貌与化学特征构建集成神经网络模型
- 预测接触角误差仅13.896,决定系数达0.942
- 揭示化学特性对润湿性影响更显著,适合材料设计者参考
表面润湿性由形貌和化学性质共同决定,在传热、润滑、微流控和表面涂层等领域至关重要。本研究提出一种机器学习框架,利用实验获取的形貌与化学特征,精准预测激光纹理金属合金的润湿性。在AA6061和AISI 4130合金上通过纳秒激光加工并辅以化学处理制备超亲水与超疏水表面。表面形貌通过Laws纹理能量法与轮廓仪量化,表面化学则通过X射线光电子能谱(XPS)分析,提取官能团极性、分子体积和峰面积占比等特征。采用融合残差连接、批量归一化和丢弃正则化的集成神经网络进行训练,模型预测精度高(R²=0.942,RMSE=13.896),优于以往方法。特征重要性分析表明,表面化学对接触角预测影响最大,形貌特征亦有显著贡献。该工作展示了人工智能在捕捉复杂表面特性相互作用方面的潜力,为功能化表面的按需设计提供数据驱动路径。
原文摘要 · Abstract (English)
Surface wettability, governed by both topography and chemistry, plays a critical role in applications such as heat transfer, lubrication, microfluidics, and surface coatings. In this study, we present a machine learning (ML) framework capable of accurately predicting the wettability of laser-textured metal alloys using experimentally derived morphological and chemical features. Superhydrophilic and superhydrophobic surfaces were fabricated on AA6061 and AISI 4130 alloys via nanosecond laser texturing followed by chemical immersion treatments. Surface morphology was quantified using the Laws texture energy method and profilometry, while surface chemistry was characterized through X-ray photoelectron spectroscopy (XPS), extracting features such as functional group polarity, molecular volume, and peak area fraction. These features were used to train an ensemble neural network model incorporating residual connections, batch normalization, and dropout regularization. The model achieved high predictive accuracy (R2 = 0.942, RMSE = 13.896), outperforming previous approaches. Feature importance analysis revealed that surface chemistry had the strongest influence on contact angle prediction, with topographical features also contributing significantly. This work demonstrates the potential of artificial intelligence to model and predict wetting behavior by capturing the complex interplay of surface characteristics, offering a data-driven pathway for designing tailored functional surfaces.
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