Investigation of the chemical vapor deposition of Cu from copper amidinate through data driven efficient CFD modelling

A chemical reaction model, consisting of two gas-phase and a surface reaction, for the deposition of copper from copper amidinate is investigated, by comparing results of an efficient, reduced order CFD model with experiments. The film deposition rate over a wide range of temperatures, 473K-623K, is accurately captured, focusing specifically on the reported drop of the deposition rate at higher temperatures, i.e above 553K that has not been widely explored in the literature. This investigation is facilitated by an efficient computational tool that merges equation-based analysis with data-driven reduced order modeling and artificial neural networks. The hybrid computer-aided approach is necessary in order to address, in a reasonable time-frame, the complex chemical and physical phenomena developed in a three-dimensional geometry that corresponds to the experimental set-up. It is through this comparison between the experiments and the derived simulation results, enabled by machine-learning algorithms that the prevalent theoretical hypothesis is tested and validated, illuminating the possible underlying dominant phenomena. (C) 2021 Elsevier Ltd. All rights reserved.

Automated summary

A chemical reaction model for copper deposition from copper amidinate is investigated using a reduced order CFD model and experiments, capturing accurately the film deposition rate over a wide temperature range. By merging equation-based analysis with data-driven modeling and artificial neural networks, the study addresses complex chemical and physical phenomena in a three-dimensional geometry. The comparison between experiments and simulation results, enabled by machine-learning algorithms, tests theoretical hypothesis and illuminates possible dominant phenomena.