Preconditioning for a Phase-Field Model with Application to Morphology Evolution in Organic Semiconductors
Year: 2023
Author: Kai Bergermann, Carsten Deibel, Roland Herzog, Roderick C. I. MacKenzie, Jan-Frederik Pietschmann, Martin Stoll
Communications in Computational Physics, Vol. 34 (2023), Iss. 1 : pp. 1–17
Abstract
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.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicp.OA-2022-0115
Communications in Computational Physics, Vol. 34 (2023), Iss. 1 : pp. 1–17
Published online: 2023-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 17
Keywords: Preconditioning phase–field models organic solar cells Cahn–Hilliard finite element analysis.