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A mesoscopic lattic...
A mesoscopic lattice model for morphology formation in ternary mixtures with evaporation
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- Setta, Mario (author)
- Karlstads universitet,Institutionen för matematik och datavetenskap (from 2013),Università degli Studi dell’Aquila, Italy
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- Kronberg, Vì C.E. (author)
- indhoven University of Technology, The Netherlands
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- Muntean, Stela Andrea (author)
- Karlstads universitet,Institutionen för ingenjörsvetenskap och fysik (from 2013)
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- Moons, Ellen, professor, 1966- (author)
- Karlstads universitet,Institutionen för ingenjörsvetenskap och fysik (from 2013)
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- van Stam, Jan, 1958- (author)
- Karlstads universitet,Institutionen för ingenjörs- och kemivetenskaper (from 2013)
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- Cirillo, Emilio N.M. (author)
- Sapienza Università di Roma, Italy
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- Colangeli, Matteo (author)
- Università degli Studi dell’Aquila, Italy
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- Muntean, Adrian, 1974- (author)
- Karlstads universitet,Institutionen för matematik och datavetenskap (from 2013)
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(creator_code:org_t)
- Elsevier, 2023
- 2023
- English.
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In: Communications in nonlinear science & numerical simulation. - : Elsevier. - 1007-5704 .- 1878-7274. ; 119
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- 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
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Setta, Mario
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Kronberg, Vì C.E ...
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Muntean, Stela A ...
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Moons, Ellen, pr ...
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van Stam, Jan, 1 ...
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Cirillo, Emilio ...
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show more...
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Colangeli, Matte ...
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Muntean, Adrian, ...
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Condensed Matter ...
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- By the university
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Karlstad University