Journal
COMPUTERS & CHEMICAL ENGINEERING
Volume 119, Issue -, Pages 465-479Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.compchemeng.2018.08.029
Keywords
Artificial neural networks; Multiscale modelling; Thin film deposition; Hybrid modelling; Stochastic partial differential equations
Funding
- Natural Sciences and Engineering Research Council of Canada (NSERC)
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This work details the construction and evaluation of a low computational cost hybrid multiscale thin film deposition model that couples artificial neural networks (ANNs) with a mechanistic (first-principles) multiscale model. The multiscale model combines continuum differential equations, which describe the transport of the precursor gas phase, with a stochastic partial differential equation (SPDE) that predicts the evolution of the thin film surface. In order to allow the SPDE to accurately predict the thin film growth over a range of system parameters, an ANN is developed and trained to predict the values of the SPDE coefficients. The fully-assembled hybrid multiscale model is validated through comparison against a kinetic Monte Carlo-based thin film multiscale model. The model is subsequently applied to a series of optimization and control studies to test its performance under different scenarios. These studies illustrate the computational efficiency of the proposed hybrid multiscale model for optimization and control applications. (C) 2018 Elsevier Ltd. All rights reserved.
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