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Preconditioning for a phase-field model with application to morphology evolution in organic semiconductors

The Cahn-Hilliard equations are a versatile model for describing the evolution of complex morphologies. In this paper we present a computational pipeline for the numerical solution of a ternary phase-field model for describing the nanomorphology of donor-acceptor semiconductor blends used in organic...

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Main Authors: Bergermann, Kai (Author) , Deibel, Carsten (Author) , Herzog, Roland (Author) , MacKenzie, Roderick C. I. (Author) , Pietschmann, Jan-Frederik (Author) , Stoll, Martin (Author)
Format: Article (Journal)
Language:English
Published: 2023-08
In: Communications in computational physics
Year: 2023, Volume: 34, Issue: 1, Pages: 1-17
ISSN:1991-7120
DOI:10.4208/cicp.OA-2022-0115
Online Access:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.4208/cicp.OA-2022-0115
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Author Notes:Kai Bergermann, Carsten Deibel, Roland Herzog, Roderick C.I. MacKenzie, Jan-Frederik Pietschmann and Martin Stoll
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Summary:The Cahn-Hilliard equations are a versatile model for describing the evolution of complex morphologies. In this paper we present a computational pipeline for the numerical solution of a ternary phase-field model for describing the nanomorphology of donor-acceptor semiconductor blends used in organic photovoltaic devices. The model consists of two coupled fourth-order partial differential equations that are discretized using a finite element approach. In order to solve the resulting large-scale linear systems efficiently, we propose a preconditioning strategy that is based on efficient approximations of the Schur-complement of a saddle point system. We show that this approach performs robustly with respect to variations in the discretization parameters. Finally, we outline that the computed morphologies can be used for the computation of charge generation, recombination, and transport in organic solar cells.
Item Description:Online veröffentlicht: August
Gesehen am 24.11.2023
Physical Description:Online Resource
ISSN:1991-7120
DOI:10.4208/cicp.OA-2022-0115

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