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

DOI10.1007/S10915-022-02060-XMaRDI QIDQ2111164zbMATHOpenAlexFDO

Authors Jie Xu, Yanli Wang

Publication date 23 December 2022

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

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

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)

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.

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Cites work

• A New Algorithm For Computing Liquid Crystal Stable Configurations: The Harmonic Mapping Case
• A Tensor Model for Nematic Phases of Bent-Core Molecules Based on Molecular Theory
• A fast algorithm for the moments of Bingham distribution
• A kinetic-hydrodynamic simulation of microstructure of liquid crystal polymers in plane shear flow
• A new Lagrange multiplier approach for constructing structure preserving schemes. I: Positivity preserving
• A nonhomogeneous kinetic model of liquid crystal polymers and its thermodynamic closure approximation
• A novel linear second order unconditionally energy stable scheme for a hydrodynamic \(\mathbf{Q} \)-tensor model of liquid crystals
• A stable scheme and its convergence analysis for a 2D dynamic \(Q\)-tensor model of nematic liquid crystals
• An energy-minimization finite-element approach for the Frank-Oseen model of nematic liquid crystals
• Arbitrarily high-order exponential cut-off methods for preserving maximum principle of parabolic equations
• Asymptotic Expansions for the Bingham Distribution
• Axial symmetry and classification of stationary solutions of Doi-Onsager equation on the sphere with Maier-Saupe potential
• Bound/positivity preserving and energy stable scalar auxiliary variable schemes for dissipative systems: applications to Keller-Segel and Poisson-Nernst-Planck equations
• Classifying local anisotropy formed by rigid molecules: symmetries and tensors
• Critical points of the Onsager functional on a sphere
• Crucial properties of the moment closure model FENE-QE
• Dynamic cubic instability in a \(2D\) \(Q\)-tensor model for liquid crystals
• Dynamics and flow effects in the Beris-Edwards system modeling nematic liquid crystals
• Efficient spectral methods for quasi-equilibrium closure approximations of symmetric problems on unit circle and sphere
• From microscopic theory to macroscopic theory: a systematic study on modeling for liquid crystals
• Gradient flows in metric spaces and in the space of probability measures
• Maximum bound principles for a class of semilinear parabolic equations and exponential time-differencing schemes
• Modelling and computation of liquid crystals
• Nonoscillatory High Order Accurate Self-Similar Maximum Principle Satisfying Shock Capturing Schemes I
• Numerical approximation of partial differential equations
• On a molecular based Q-tensor model for liquid crystals with density variations
• On maximum-principle-satisfying high order schemes for scalar conservation laws
• On minimizers for the isotropic-nematic interface problem
• On minimizers of a Landau-de Gennes energy functional on planar domains
• On positivity-preserving high order discontinuous Galerkin schemes for compressible Euler equations on rectangular meshes
• On the disclination lines of nematic liquid crystals
• Order Reconstruction for Nematics on Squares and Hexagons: A Landau--de Gennes Study
• Positivity-preserving and asymptotic preserving method for 2D Keller-Segal equations
• Quasi-entropy by log-determinant covariance matrix and application to liquid crystals
• Refined approximation for minimizers of a Landau-de Gennes energy functional
• Regularity of a Gradient Flow Generated by the Anisotropic Landau--de Gennes Energy with a Singular Potential
• Saddlepoint approximations for the Bingham and Fisher–Bingham normalising constants
• Saddlepoint approximations for the normalizing constant of Fisher-Bingham distributions on products of spheres and Stiefel manifolds
• The cutoff method for the numerical computation of nonnegative solutions of parabolic PDEs with application to anisotropic diffusion and lubrication-type equations
• Third order maximum-principle-satisfying direct discontinuous Galerkin methods for time dependent convection diffusion equations on unstructured triangular meshes
• Unconditionally bound preserving and energy dissipative schemes for a class of Keller-Segel equations
• Unconditionally positivity preserving and energy dissipative schemes for Poisson-Nernst-Planck equations

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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