Chemical reaction pathway; Chemical Vapor Deposition; Copper amidinate; Data-driven model; Reduced-order modeling; Amidinates; CFD modeling; Chemical reaction models; Chemical vapour deposition; Data driven; Data driven modelling; Reduced order modelling; Reduced-order model; Chemical Engineering (all); Computer Science Applications; General Chemical Engineering
Abstract :
[en] 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.
Disciplines :
Chemical engineering
Author, co-author :
Spencer, R. ; Institute for Materials and Processes (IMP), School of Engineering, University of Edinburgh, The King's Buildings, Edinburgh, United Kingdom
Gkinis, P.; School of Chemical Engineering, National Technical University of Athens, Zographos Campus, Greece
KORONAKI, Eleni ; University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Engineering (DoE) ; School of Chemical Engineering, National Technical University of Athens, Zographos Campus, Greece
Gerogiorgis, D.I.; Institute for Materials and Processes (IMP), School of Engineering, University of Edinburgh, The King's Buildings, Edinburgh, United Kingdom
BORDAS, Stéphane ; University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Engineering (DoE)
Boudouvis, A.G.; School of Chemical Engineering, National Technical University of Athens, Zographos Campus, Greece
External co-authors :
yes
Language :
English
Title :
Investigation of the chemical vapor deposition of Cu from copper amidinate through data driven efficient CFD modelling
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