Q-tensor gradient flow with quasi-entropy and discretizations preserving physical constraints

DOI10.1007/S10915-022-02060-XzbMATH Open1504.65181arXiv2110.11053OpenAlexW4286897449MaRDI QIDQ2111164FDOQ2111164

Authors: Jie Xu, Yanli Wang 

Publication date: 23 December 2022

Published in: Journal of Scientific Computing (Search for Journal in Brave)

Abstract: We propose and analyze numerical schemes for the gradient flow of $Q$-tensor with the quasi-entropy. The quasi-entropy is a strictly convex, rotationally invariant elementary function, giving a singular potential constraining the eigenvalues of $Q$ within the physical range $(-1/3,2/3)$. Compared with the potential derived from the Bingham distribution, the quasi-entropy has the same asymptotic behavior and underlying physics. Meanwhile, it is very easy to evaluate because of its simple expression. For the elastic energy, we include all the rotationally invariant terms. The numerical schemes for the gradient flow are built on the nice properties of the quasi-entropy. The first-order time discretization is uniquely solvable, keeping the physical constraints and energy dissipation, which are all independent of the time step. The second-order time discretization keeps the first two properties unconditionally, and the third with an $O(1)$ restriction on the time step. These results also hold when we further incorporate a second-order discretization in space. Error estimates are also established for time discretization and full discretization. Numerical examples about defect patterns are presented to validate the theoretical results.

Full work available at URL: https://arxiv.org/abs/2110.11053

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zbMATH Keywords

error analysisgradient flowenergy stabilityliquid crystaltensor modelphysical constraints preserving

Mathematics Subject Classification ID

Finite difference methods applied to problems in fluid mechanics (76M20) PDEs in connection with fluid mechanics (35Q35) Numerical computation of solutions to systems of equations (65H10) Liquid crystals (76A15) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Stability and convergence of numerical methods for initial value and initial-boundary value problems involving PDEs (65M12) Error bounds for initial value and initial-boundary value problems involving PDEs (65M15) Finite difference methods for boundary value problems involving PDEs (65N06) Statistical mechanics of random media, disordered materials (including liquid crystals and spin glasses) (82D30) PDE constrained optimization (numerical aspects) (49M41)

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Cited In (1)

• A second-order length-preserving and unconditionally energy stable rotational discrete gradient method for Oseen-Frank gradient flows

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