Preconditioning for a Phase-Field Model with Application to Morphology Evolution in Organic Semiconductors

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.

Author Details

Kai Bergermann

Carsten Deibel

Roland Herzog

Roderick C. I. MacKenzie

Jan-Frederik Pietschmann

Martin Stoll