An adaptive virtual element method for the polymeric self-consistent field theory

DOI10.1016/J.CAMWA.2023.01.039MaRDI QIDQ6103641zbMATH OpenFDO

Authors

Publication date 5 June 2023

Published in Computers & Mathematics with Applications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2002.08187

zbMATH Keywords

confined geometrylog marking strategypolygonal meshself-consistent field theorystrong segregation systemsvirtual element method

Mathematics Subject Classification ID

Stability and convergence of numerical methods for boundary value problems involving PDEs (65N12) Error bounds for boundary value problems involving PDEs (65N15) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Statistical mechanics of polymers (82D60)

Abstract: In this paper, we develop a high-order adaptive virtual element method (VEM) to simulate the self-consistent field theory (SCFT) model in arbitrary domains. The VEM is very flexible in handling general polygon elements and can treat hanging nodes as polygon vertices without additional processing. Besides, to effectively simulate the phase separation behavior in strong segregation systems, an adaptive method on polygonal mesh equipped with a new marking strategy is developed. This new marking strategy will indicate the times of marked elements to be refined and coarsened, making full use of the information contained in the current numerical results. Using the halfedge data structure, we can apply the adaptive method to the arbitrary polygonal mesh. Numerical results demonstrate that the developed method is efficient in simulating polymers' phase behavior in complex geometric domains. The accuracy is consistent with theoretical results. The adaptive method can greatly reduce computational costs to obtain prescribed numerical accuracy for strong segregation systems.

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Cited in

(1)

• The properties of the iterative solution of the inverse Dyson equation for the calculation of correlation corrected band structures of polymers

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