TY  - JOUR
AU  - Ronsin, Olivier J. J.
AU  - Harting, Jens
TI  - Phase‐Field Simulations of the Morphology Formation in Evaporating Crystalline Multicomponent Films
JO  - Advanced theory and simulations
VL  - 5
IS  - 10
SN  - 2513-0390
CY  - Weinheim
PB  - Wiley-VCH Verlag
M1  - FZJ-2022-04715
SP  - 2200286 -
PY  - 2022
AB  - In numerous solution-processed thin films, a complex morphology resultingfrom liquid–liquid phase separation (LLPS) or from polycrystallization arisesduring the drying or subsequent processing steps. The morphology has astrong influence on the performance of the final device but unfortunately, theprocess–structure relationship is often poorly and only qualitativelyunderstood. This is because many different physical mechanisms (miscibility,evaporation, crystallization, diffusion, and advection) are active at potentiallydifferent time scales and because the kinetics plays a crucial role: themorphology develops until it is kinetically quenched far from equilibrium. Inorder to unravel the various possible structure formation pathways, a unifiedtheoretical framework that takes into account all these physical phenomena isproposed. This phase-field simulation tool is based on the Cahn–Hilliardequations for diffusion and the Allen–Cahn equation for crystallization andevaporation, which are coupled to the equations for the dynamics of the fluid.The behavior of the coupled model based on simple test cases is discussedand verified. Furthermore, how this framework allows to investigate themorphology formation in a drying film undergoing evaporation-induced LLPSand crystallization, which is typically a situation encountered, is illustrated, forexample, in organic photovoltaics applications.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000831344300001
DO  - DOI:10.1002/adts.202200286
UR  - https://juser.fz-juelich.de/record/911443
ER  -