TY - JOUR
T1 - Preconditioning for a Phase-Field Model with Application to Morphology Evolution in Organic Semiconductors
AU - Bergermann , Kai
AU - Deibel , Carsten
AU - Herzog , Roland
AU - MacKenzie , Roderick C. I.
AU - Pietschmann , Jan-Frederik
AU - Stoll , Martin
JO - Communications in Computational Physics
VL - 1
SP - 1
EP - 17
PY - 2023
DA - 2023/08
SN - 34
DO - http://doi.org/ 10.4208/cicp.OA-2022-0115
UR - https://global-sci.org/intro/article_detail/cicp/21876.html
KW - Preconditioning, phase–field models, organic solar cells, Cahn–Hilliard, finite element analysis.
AB - <p style="text-align: justify;">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.</p>