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Machine learning for neutron reflectometry data analysis of two-layer thin films *Notice of Copyright: This manuscript has been authored by UT-Battelle, LLC under Contract DE-AC05-00OR22725 with the U.S. Department of Energy (DOE). The U.S. government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).
Machine Learning: Science and Technology ( IF 6.013 ) Pub Date : 2021-04-23 , DOI: 10.1088/2632-2153/abf257
Mathieu Doucet 1 , Richard K Archibald 2 , William T Heller 1
Affiliation  

Neutron reflectometry (NR) is a powerful tool for probing thin films at length scales down to nanometers. We investigated the use of a neural network to predict a two-layer thin film structure to model a given measured reflectivity curve. Application of this neural network to predict a thin film structure revealed that it was accurate and could provide an excellent starting point for traditional fitting methods. Employing prediction-guided fitting has considerable potential for more rapidly producing a result compared to the labor-intensive but commonly-used approach of trial and error searches prior to refinement. A deeper look at the stability of the predictive power of the neural network against statistical fluctuations of measured reflectivity profiles showed that the predictions are stable. We conclude that the approach presented here can provide valuable assistance to users of NR and should be further extended for use in studies of more complex n-layer thin film systems. This result also opens up the possibility of developing adaptive measurement systems in the future.



中文翻译:

用于两层薄膜中子反射计数据分析的机器学习 *版权声明:本手稿由 UT-Battelle, LLC 根据美国能源部 (DOE) 的合同 DE-AC05-00OR22725 撰写。美国政府保留,出版商通过接受文章出版,承认美国政府保留非排他性、已付费、不可撤销的全球许可,以出版或复制本手稿的出版形式,或允许其他人这样做,用于美国政府目的。DOE 将根据 DOE 公共访问计划 (http://energy.gov/downloads/doe-public-access-plan) 向公众提供这些联邦资助研究结果的访问权限。

中子反射计 (NR) 是一种强大的工具,可用于探测纳米级长度的薄膜。我们研究了使用神经网络来预测两层薄膜结构以模拟给定的测量反射率曲线。将该神经网络应用于预测薄膜结构表明它是准确的,并且可以为传统的拟合方法提供一个很好的起点。与劳动密集型但常用的细化前反复试验搜索方法相比,采用预测引导拟合具有相当大的潜力,可以更快地产生结果。更深入地研究神经网络对测量反射率剖面的统计波动的预测能力的稳定性表明预测是稳定的。我们得出结论,这里介绍的方法可以为 NR 用户提供有价值的帮助,应该进一步扩展用于更复杂的 n 层薄膜系统的研究。这一结果也开辟了未来开发自适应测量系统的可能性。

更新日期:2021-04-23
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