781 research outputs found

    High order finite element calculations for the deterministic Cahn-Hilliard equation

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    In this work, we propose a numerical method based on high degree continuous nodal elements for the Cahn-Hilliard evolution. The use of the p-version of the finite element method proves to be very efficient and favorably compares with other existing strategies (C^1 elements, adaptive mesh refinement, multigrid resolution, etc). Beyond the classical benchmarks, a numerical study has been carried out to investigate the influence of a polynomial approximation of the logarithmic free energy and the bifurcations near the first eigenvalue of the Laplace operator

    Positivity-preserving, energy stable numerical schemes for the Cahn-Hilliard equation with logarithmic potential

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    We present and analyze finite difference numerical schemes for the Allen Cahn/Cahn-Hilliard equation with a logarithmic Flory Huggins energy potential. Both the first order and second order accurate temporal algorithms are considered. In the first order scheme, we treat the nonlinear logarithmic terms and the surface diffusion term implicitly, and update the linear expansive term and the mobility explicitly. We provide a theoretical justification that, this numerical algorithm has a unique solution such that the positivity is always preserved for the logarithmic arguments. In particular, our analysis reveals a subtle fact: the singular nature of the logarithmic term around the values of −1-1 and 1 prevents the numerical solution reaching these singular values, so that the numerical scheme is always well-defined as long as the numerical solution stays similarly bounded at the previous time step. Furthermore, an unconditional energy stability of the numerical scheme is derived, without any restriction for the time step size. The unique solvability and the positivity-preserving property for the second order scheme are proved using similar ideas, in which the singular nature of the logarithmic term plays an essential role. For both the first and second order accurate schemes, we are able to derive an optimal rate convergence analysis, which gives the full order error estimate. The case with a non-constant mobility is analyzed as well. We also describe a practical and efficient multigrid solver for the proposed numerical schemes, and present some numerical results, which demonstrate the robustness of the numerical schemes

    On the stable discretization of strongly anisotropic phase field models with applications to crystal growth

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    We introduce unconditionally stable finite element approximations for anisotropic Allen--Cahn and Cahn--Hilliard equations. These equations frequently feature in phase field models that appear in materials science. On introducing the novel fully practical finite element approximations we prove their stability and demonstrate their applicability with some numerical results. We dedicate this article to the memory of our colleague and friend Christof Eck (1968--2011) in recognition of his fundamental contributions to phase field models.Comment: 20 pages, 8 figure

    Phase-field approaches to structural topology optimization

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    The mean compliance minimization in structural topology optimization is solved with the help of a phase field approach. Two steepest descent approaches based on L2- and H-1 gradient flow dynamics are discussed. The resulting flows are given by Allen-Cahn and Cahn-Hilliard type dynamics coupled to a linear elasticity system. We finally compare numerical results obtained from the two different approaches

    Finite element methods for surface PDEs

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    In this article we consider finite element methods for approximating the solution of partial differential equations on surfaces. We focus on surface finite elements on triangulated surfaces, implicit surface methods using level set descriptions of the surface, unfitted finite element methods and diffuse interface methods. In order to formulate the methods we present the necessary geometric analysis and, in the context of evolving surfaces, the necessary transport formulae. A wide variety of equations and applications are covered. Some ideas of the numerical analysis are presented along with illustrative numerical examples

    Phase Separation Dynamics in Isotropic Ion-Intercalation Particles

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    Lithium-ion batteries exhibit complex nonlinear dynamics, resulting from diffusion and phase transformations coupled to ion intercalation reactions. Using the recently developed Cahn-Hilliard reaction (CHR) theory, we investigate a simple mathematical model of ion intercalation in a spherical solid nanoparticle, which predicts transitions from solid-solution radial diffusion to two-phase shrinking-core dynamics. This general approach extends previous Li-ion battery models, which either neglect phase separation or postulate a spherical shrinking-core phase boundary, by predicting phase separation only under appropriate circumstances. The effect of the applied current is captured by generalized Butler-Volmer kinetics, formulated in terms of diffusional chemical potentials, and the model consistently links the evolving concentration profile to the battery voltage. We examine sources of charge/discharge asymmetry, such as asymmetric charge transfer and surface "wetting" by ions within the solid, which can lead to three distinct phase regions. In order to solve the fourth-order nonlinear CHR initial-boundary-value problem, a control-volume discretization is developed in spherical coordinates. The basic physics are illustrated by simulating many representative cases, including a simple model of the popular cathode material, lithium iron phosphate (neglecting crystal anisotropy and coherency strain). Analytical approximations are also derived for the voltage plateau as a function of the applied current

    Sharp Interface Limits of the Cahn-Hilliard Equation with Degenerate Mobility

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    In this work, the sharp interface limit of the degenerate Cahn-Hilliard equation (in two space dimensions) with a polynomial double well free energy and a quadratic mobility is derived via a matched asymptotic analysis involving exponentially large and small terms and multiple inner layers. In contrast to some results found in the literature, our analysis reveals that the interface motion is driven by a combination of surface diffusion flux proportional to the surface Laplacian of the interface curvature and an additional contribution from nonlinear, porous-medium type bulk diffusion, For higher degenerate mobilities, bulk diffusion is subdominant. The sharp interface models are corroborated by comparing relaxation rates of perturbations to a radially symmetric stationary state with those obtained by the phase field model.Comment: 27 pages, 2 figure
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