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中国物理学会期刊

基于小样本数据的YBCO薄膜生长工艺参数初步探索与机器学习分析

Machine Learning Exploration of YBCO Thin Film Growth Parameters under Small Data Constraint

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  • YBa2Cu3O7-δ(YBCO)高温超导薄膜的制备受多项工艺参数的共同影响,然而实际的薄膜生长实验难以快速积累大规模数据。本文基于小样本实验数据,探究了神经网络模型在优化脉冲激光沉积(PLD)制备YBCO薄膜过程中的指导作用。数据涵盖衬底种类、氧压、生长时间等十个关键工艺参数,以YBCO的(005)峰位及摇摆曲线半高全宽作为薄膜结构特性的表征指标。通过构建多层感知机(MLP)模型,并引入Bootstrap重采样与早停机制以缓解有限样本下的过拟合风险。在此基础上,结合皮尔逊相关性检验,对工艺参数与结构特征间的复杂关联进行初步探索与可视化分析,从有限数据中提取关键物理模式。本工作为小样本条件下的超导薄膜实验提供了可迁移的分析框架,也为后续的数据采集和更深入的“工艺—结构—性能”关系研究奠定了基础。

     

    The fabrication of YBa2Cu3O7-δ (YBCO) high-temperature superconducting thin films is governed by multiple process parameters. However, the accumulation of large-scale experimental data in actual thin-film growth processes remains challenging. This study utilizes a small-sample experimental dataset to examine the guiding role of a neural network model in optimizing the pulsed laser deposition (PLD) processes for YBCO thin films. The dataset encompasses ten key process parameters, including substrate type, substrate size, laser focal length, target-substrate distance, output voltage, laser frequency, oxygen pressure, growth time, substrate temperature, and annealing time, which serve as the model inputs. The YBCO (005) peak position and the full width at half maximum (FWHM) of the rocking curve, obtained from X-ray diffraction (XRD), are the structural parameters to be predicted and constitute the model outputs. A multilayer perceptron (MLP) neural network model was constructed, incorporating bootstrap resampling and early stopping mechanisms to mitigate overfitting under small-sample conditions. The model yields reasonable predictions of the peak position and the FWHM, and demonstrates favorable generalization performance on an independent test set, thereby validating the feasibility of data-driven approaches for modeling complex thin-film processes. Notably, the root-mean-square error (RMSE) for the (005) peak position prediction is as low as 0.01°, approaching the instrumental resolution of XRD measurements (±0.005°). On this basis, Pearson correlation analysis is further conducted to perform a preliminary exploration and visual assessment of the complex interrelations between the process parameters and the structural features. Specifically, the peak position, which reflects lattice constant variations, is primarily regulated by oxygen content and macroscopic stress, exhibiting a relatively clear relationship. In contrast, the FWHM, which reflects crystalline quality, is governed by complex growth kinetics and exhibits a more sensitive and highly nonlinear dependence on the process parameters. This work establishes a scalable and transferable analytical framework for superconducting thin-film experiments under small-sample constraints. It paves a feasible pathway for data-driven process optimization in resource-limited circumstances, and facilitates comprehensive in-depth interpretation of process-structure-property correlations.

     

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