Energetic spectral-element time marching methods for phase-field nonlinear gradient systems

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2024-06-27 DOI:10.1016/j.apnum.2024.06.021
Shiqin Liu , Haijun Yu
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Abstract

We propose two efficient energetic spectral-element methods in time for marching nonlinear gradient systems with the phase-field Allen–Cahn equation as an example: one fully implicit nonlinear method and one semi-implicit linear method. Different from other spectral methods in time using spectral Petrov-Galerkin or weighted Galerkin approximations, the presented implicit method employs an energetic variational Galerkin form that can maintain the mass conservation and energy dissipation property of the continuous dynamical system. Another advantage of this method is its superconvergence. A high-order extrapolation is adopted for the nonlinear term to get the semi-implicit method. The semi-implicit method does not have superconvergence, but can be improved by a few Picard-like iterations to recover the superconvergence of the implicit method. Numerical experiments verify that the method using Legendre elements of degree three outperforms the 4th-order implicit-explicit backward differentiation formula and the 4th-order exponential time difference Runge-Kutta method, which were known to have best performances in solving phase-field equations. In addition to the standard Allen–Cahn equation, we also apply the method to a conservative Allen–Cahn equation, in which the conservation of discrete total mass is verified. The applications of the proposed methods are not limited to phase-field Allen–Cahn equations. They are suitable for solving general, large-scale nonlinear dynamical systems.

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相场非线性梯度系统的能量谱元时间行进方法
我们以相场 Allen-Cahn 方程为例,针对行进非线性梯度系统提出了两种高效的时间谱元方法:一种是全隐式非线性方法,另一种是半隐式线性方法。与其他使用频谱 Petrov-Galerkin 或加权 Galerkin 近似的时间频谱方法不同,本文介绍的隐式方法采用了一种能量变分 Galerkin 形式,可以保持连续动力系统的质量守恒和能量耗散特性。该方法的另一个优点是其超收敛性。对非线性项采用高阶外推法得到半隐式方法。半隐式方法不具有超收敛性,但可以通过几次类似皮卡尔迭代的改进来恢复隐式方法的超收敛性。数值实验证明,使用三阶 Legendre 元素的方法优于四阶隐式-显式反向微分公式和四阶指数时差 Runge-Kutta 方法,而这两种方法在求解相场方程时性能最佳。除了标准 Allen-Cahn 方程,我们还将该方法应用于保守 Allen-Cahn 方程,其中离散总质量守恒得到了验证。所提方法的应用不仅限于相场 Allen-Cahn 方程。它们适用于求解一般的大规模非线性动力学系统。
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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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