Collaborative Research: Machine Learning-assisted Ultrafast Physical Vapor Deposition of High Quality, Large-area Functional Thin Films

该补助金支持使用机器学习辅助超快薄膜制造方法生产高质量，大面积功能薄膜的研究。氧化物、硫族化物、氮化物等功能薄膜在半导体、通讯、能源等领域有着广泛的应用。然而，用于可规模化制造功能薄膜的常规方法是耗时且浪费的，依赖于溶剂和试错法。该项目的目标是应用机器学习来克服与传统薄膜沉积相关的结构和化学缺陷所带来的挑战，从而提高薄膜质量和制造效率。机器学习通过训练实验和计算数据来加速薄膜生长条件的优化，并加快具有所需功能的薄膜的开发。该奖项支持基础研究，以实现更快，更具成本效益的高质量和大面积功能薄膜的制造，用于电子，光子学和能源转换的广泛应用。该项目的成果通过解决美国面临的半导体制造和清洁能源挑战，使美国经济和社会受益。这项研究涉及多个学科，包括材料科学与工程，机器学习和先进制造。这种跨学科的方法增加了代表性不足的群体在工程研究和教育中的参与。传统薄膜沉积的局限性是缺乏缺陷控制和成分处理、长的开发时间和材料浪费。该项目将机器学习应用于超快物理气相沉积，以克服这些限制并制造高质量，大面积的功能薄膜。在物理气相沉积中，可以通过定制工艺参数来设计膜厚度、微观结构、化学成分和性质。将机器学习、物性计算和薄膜生长条件紧密结合，提高薄膜质量，缩短开发周期，减少材料浪费。本研究使用机器学习算法，如线性和非线性回归和贝叶斯优化，训练薄膜生长和性能的实验产生的数据和文献收集。机器学习模型与原位监测相结合，用于优化生长条件，如衬底温度、沉积时间、分压、斜坡和冷却速率，并以更低的成本和更快的开发周期实现目标电子和光学特性。机器学习辅助的功能硫属化物薄膜的可扩展制造不仅丰富了太阳能转换的材料组合，而且还推进了它们在电子和光子学中的应用，如光电探测器，光电晶体管，热电和发光二极管。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

This grant supports research to produce high-quality, large-area functional thin films using a machine learning-assisted ultrafast thin film manufacturing approach. Functional thin films, such as oxides, chalcogenides and nitrides, have a wide range of applications in semiconductor, communication, and energy industries. However, conventional methods for scalable manufacturing of functional thin films are time-consuming and wasteful, relying on solvents and trial-and-error approaches. The goal of this project is to apply machine learning to overcome challenges posed by structural and chemical defects associated with conventional thin film deposition, thereby improve film quality and manufacturing efficiency. Machine learning accelerates optimization of thin film growth conditions via training the experimental and computational data and speeds up the development of thin films with desired functionality. This award supports fundamental research to enable faster and cost-effective manufacturing of high-quality and large-area functional thin films for a broad range of applications in electronics, photonics, and energy conversion. Results from this project benefit the US economy and society by addressing semiconductor manufacturing and clean energy challenges facing the nation. This research involves multiple disciplines including materials science and engineering, machine learning, and advanced manufacturing. This interdisciplinary approach increases the participation of underrepresented groups in engineering research and education. The limitations of conventional thin film deposition are lack of defect control and composition manipulation, long development time, and material waste. This project applies machine learning to ultrafast physical vapor deposition to overcome these limitations and manufacture high quality, large-area functional thin films. In physical vapor deposition, film thickness, microstructure, chemical composition, and property can be engineered by tailoring the processing parameters. Closely integrating machine learning, physical property calculations, and thin film growth conditions improves film quality, shortens development cycle and reduces material waste. This research uses machine learning algorithms, such as, linear and nonlinear regression and Bayesian optimization, to train film growth and property data generated by experiment and collected from literature. Machine learning models, in conjunction with in-situ monitoring, are used to optimize growth conditions such as substrate temperature, deposition time, partial pressure, and ramping and cooling rates and achieve the targeted electronic and optical properties at a lower cost and faster development cycle. The machine learning-assisted scalable manufacturing of functional chalcogenide thin films not only enriches the materials portfolio for solar energy conversion, but also advances their applications in electronics and photonics, such as photodetectors, phototransistors, thermoelectrics, and light emission diodes. This approach can also be applied to accelerate the development of other renewable energy materials.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.