A mesoscopic lattice model for morphology formation in ternary mixtures with evaporation

• We develop a mesoscopic lattice model to study the morphology formation in inter-acting ternary mixtures with the evaporation of one component. As concrete potentialapplication of our model, we wish to capture morphologies as they are typically arisingduring the fabrication of organic solar cells. In this context, we consider an evaporatingsolvent into which two other components are dissolved, as a model for a 2-componentcoating solution that is drying on a substrate. We propose a 3-spins dynamics to describethe evolution of the three interacting species. As main tool, we use a Monte CarloMetropolis-based algorithm, with the possibility of varying the system’s temperature,mixture composition, interaction strengths, and evaporation kinetics. The main novelty isthe structure of the mesoscopic model – a bi-dimensional lattice with periodic boundaryconditions, divided into square cells to encode a mesoscopic range interaction amongthe units. We investigate the effect of the model parameters on the structure of theresulting morphologies. Finally, we compare the results obtained with the mesoscopicmodel with corresponding ones based on an analogous lattice model with a short rangeinteraction among the units, i.e. when the mesoscopic length scale coincides with themicroscopic length scale of the lattice.

Ämnesord

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

Nyckelord

Concrete mixtures

Crystal lattices

Morphology

Organic solar cells

Superconducting materials

Coating solution

Interacting species

Lattice models

Mesoscopic lattice model

Mesoscopic modeling

Mesoscopics

Metropolis algorithms

Morphology formation

System temperature

Ternary mixtures

Evaporation

Matematik

Mathematics

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