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arXiv · 2212.12447

A Continuum Model for Morphology Formation from Interacting Ternary Mixtures: Simulation Study of the Formation and Growth of Patterns

Rainey Lyons·Stela Andrea Muntean·Emilio N. M. Cirillo·Adrian Muntean
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Abstract

Our interest lies in exploring the ability of a coupled nonlocal system of two quasilinear parabolic partial differential equations to produce phase separation patterns. The obtained patterns are referred here as morphologies. Our target system is derived in the literature as the rigorous hydrodynamic limit of a suitably scaled interacting particle system of Blume--Capel--type driven by Kawasaki dynamics. The system describes in a rather implicit way the interaction within a ternary mixture that is the macroscopic counterpart of a mix of two populations of interacting solutes in the presence of a background solvent. Our discussion is based on the qualitative behavior of numerical simulations of finite volume approximations of smooth solutions to our system and their quantitative postprocessing in terms of two indicators (correlation and structure factor calculations). Our results show many similar features compared to what one knows at the level of the stochastic Blume--Capel dynamics with three interacting species. The properties of the obtained morphologies (shape, connectivity, and so on) can play a key role in, e.g., the design of the active layer for efficient organic solar cells.

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Rainey Lyons, Stela Andrea Muntean, Emilio N. M. Cirillo, Adrian Muntean. 2022-12-21. A Continuum Model for Morphology Formation from Interacting Ternary Mixtures: Simulation Study of the Formation and Growth of Patterns. https://doi.org/10.1016/j.physd.2023.133832

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