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

virtual element methodpolygonal meshself-consistent field theoryconfined geometrylog marking strategystrong segregation systems

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.

Recommendations

• The virtual element method on anisotropic polygonal discretizations
• Virtual element method with adaptive refinement for problems of two-dimensional complex topology models from an engineering perspective
• Higher-order adaptive virtual element methods with contraction properties
• Adaptive virtual element method for large-strain phase-field fracture
• The virtual element method on polygonal pixel-based tessellations

Cites work

• A Convergent Adaptive Algorithm for Poisson’s Equation
• A Stream Virtual Element Formulation of the Stokes Problem on Polygonal Meshes
• A coarsening algorithm on adaptive grids by newest vertex bisection and its applications
• A finite element method of the self-consistent field theory on general curved surfaces
• A method for numerical integration on an automatic computer
• Adaptive finite element methods with convergence rates
• An interface-fitted mesh generator and virtual element methods for elliptic interface problems
• Analytic structure of the SCFT energy functional of multicomponent block copolymers
• Anisotropic error estimates of the linear virtual element method on polygonal meshes
• BASIC PRINCIPLES OF VIRTUAL ELEMENT METHODS
• Conforming and nonconforming virtual element methods for elliptic problems
• Discovery of new metastable patterns in diblock copolymers
• Efficient order-adaptive methods for polymer self-consistent field theory
• Equivalent projectors for virtual element methods
• Hanging nodes in the unifying theory of a posteriori finite element error control
• Implicit-explicit Runge-Kutta methods for time-dependent partial differential equations
• Is Gauss Quadrature Better than Clenshaw–Curtis?
• Mesh Refinement Processes Based on the Generalized Bisection of Simplices
• Numerical Solution of Polymer Self-Consistent Field Theory
• Numerical recipes. The art of scientific computing.
• On an Adaptive Grid Refining Technique for Finite Element Approximations
• Self-consistent field theory simulations of polymers on arbitrary domains
• Some weighted averaging methods for gradient recovery
• Spectral deferred correction methods for ordinary differential equations
• Spectral method for exploring patterns of diblock copolymers
• The Hitchhiker's guide to the virtual element method
• The equilibrium theory of inhomogeneous polymers. With a foreword by S. F. Edwards.
• The nonconforming virtual element method for plate bending problems
• Using generic programming for designing a data structure for polyhedral surfaces

Cited in

(1)

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

This page was built for publication: An adaptive virtual element method for the polymeric self-consistent field theory

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6103641)