Work

Modeling Diffusion Transport Mechanisms in Multilayer Nanofilms Using Computer Simulations

Year: 2024
Type: conference-paper
Abstract: In this paper, the authors strive to integrate complex mathematical models with optimal software development practices to tackle the challenge of computationally simulating diffusion transport processes in multilayer nanofilms. Drawing on the experimental findings and using the proposed model, identification was performed using the theory of state control for multicomponent systems. Utilizing optimal control methods for multicomponent transport systems, the analytical solution of the model, and experimental observation data, the diffusion coefficient distributions for the components of the nanofilms (samples of aluminum, molybdenum, silicon) were reproduced. The numerical simulation results were compared with experimental observations. The profiles generated from the simulations closely align with the experimental profiles, particularly as the multilayer formation process approaches the final stages of completing the protective nanofilm layers. The maximum observed deviation does not exceed 2–3 %, confirming the reliability of the mathematical model and highlighting the practical value of the results presented. A software framework was developed to automate the specified calculations, with the potential for extension to other subject areas that involve similar tasks of identifying key process factors and further numerical modeling of time-space characteristics using the obtained results.
Language: English
Open Access status: bronze
OpenAlex ID: W7166350446
FWCI:
Cites: 4
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Related to: 10