781 research outputs found
High order finite element calculations for the deterministic Cahn-Hilliard equation
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
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
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
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
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
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
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
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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