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@ARTICLE{Ronsin:911443,
      author       = {Ronsin, Olivier J. J. and Harting, Jens},
      title        = {{P}hase‐{F}ield {S}imulations of the {M}orphology
                      {F}ormation in {E}vaporating {C}rystalline {M}ulticomponent
                      {F}ilms},
      journal      = {Advanced theory and simulations},
      volume       = {5},
      number       = {10},
      issn         = {2513-0390},
      address      = {Weinheim},
      publisher    = {Wiley-VCH Verlag},
      reportid     = {FZJ-2022-04715},
      pages        = {2200286 -},
      year         = {2022},
      abstract     = {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.},
      cin          = {IEK-11},
      ddc          = {050},
      cid          = {I:(DE-Juel1)IEK-11-20140314},
      pnm          = {1215 - Simulations, Theory, Optics, and Analytics (STOA)
                      (POF4-121) / DFG project 449539983 - Prozess-Struktur
                      Relationen für die lösungsmittelbasierte organische
                      Photovoltaik},
      pid          = {G:(DE-HGF)POF4-1215 / G:(GEPRIS)449539983},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000831344300001},
      doi          = {10.1002/adts.202200286},
      url          = {https://juser.fz-juelich.de/record/911443},
}