Analysis of Visualized Complex Reaction Network in Low- Temperature Molecular Plasma

O. Sakai, Y. Mizui, Kyosuke Nobuto, S. Miyagi
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Abstract

It is quite frequent that a factorial fabrication process includes very complex systems, leading to difficulties in its regulation, estimation and prediction. To overcome these difficulties, causality in the complex systems is a key issue, which has not been frequently stressed but is of importance for effective performance of machine learning. One of the examples with such complexity is plasma and its chemistry, where they are in processes of dry etching and plasma chemical vapor deposition. So far, we successfully visualized the complexities using graphs or networks, where nodes represent elements and edges imply interactions between them. In this study, focusing on silane (SiH4) and methane (CH4) low-temperature molecular plasma chemistry, we clarify roles of species in the chemical reaction network, like reactants, intermediates and products, where a species is a node in this species network and a reactant-product pair is an edge. This distinction is straightforward for selection of reactants as input and products as output variables. We also show and discuss another network, reaction network, in which a reactant-product pair is an edge and its size is so huge that its network statistics is categorized by complex network science. By visualizing and analyzing a complex chemical reaction network in molecular plasma, we obtain useful information for parameter regulation in real processes and also identification of input/output variables for machine learning of a given process.
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低温分子等离子体中可视化复杂反应网络的分析
析因制造过程通常包含非常复杂的系统,这给其调节、估计和预测带来了困难。为了克服这些困难,复杂系统中的因果关系是一个关键问题,它没有经常被强调,但对机器学习的有效性能很重要。其中一个复杂的例子是等离子体及其化学,它们处于干蚀刻和等离子体化学气相沉积的过程中。到目前为止,我们使用图或网络成功地可视化了复杂性,其中节点表示元素,边表示元素之间的交互。本研究以硅烷(SiH4)和甲烷(CH4)低温分子等离子体化学为重点,明确了物质在化学反应网络中的作用,如反应物、中间体和产物,其中一个物质是该物质网络中的节点,反应物-产物对是边缘。这种区别对于选择作为输入的反应物和作为输出变量的生成物是很简单的。我们还展示和讨论了另一个网络,反应网络,其中反应物-产物对是一个边缘,它的大小是如此之大,以至于它的网络统计被复杂的网络科学分类。通过对分子等离子体中复杂化学反应网络的可视化和分析,我们获得了实际过程中参数调节的有用信息,也为给定过程的机器学习识别输入/输出变量。
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