不可压缩流耦合相场囊泡膜模型的全局约束保持拉格朗日乘子方法

IF 3.4 2区 物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
Yanqing He , Qi Li , Xiaofeng Yang
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引用次数: 0

摘要

本文提出了一种新的脂质囊泡模型,克服了经典相场弹性弯曲模型的局限性,该模型利用惩罚项来近似体积和表面积守恒。我们的方法实现了精确的体积守恒,并使用拉格朗日乘法器来确保精确的表面积守恒。对于不可压缩流动耦合系统,我们引入了两种高效、线性和能量稳定的方案,将标量辅助变量(SAV)方法与拉格朗日乘子技术相结合。对于无约束梯度流,这些格式保持了SAV方法的效率,只需要在每个时间步解具有常系数的线性方程以及可忽略代价的非线性代数系统。所提出的方案保证了无条件的能量稳定,同时有效地保持了全球表面积守恒。此外,数值格式是完全解耦的,线性的,无条件能量稳定的,并且在时间上具有二阶精度。实现这种完全解耦的一个重要创新是引入了一个常微分方程来解决非线性耦合项,同时满足“零能量贡献”特性。大量的二维和三维仿真证明了我们提出的方案的准确性和稳定性。代码作为开源发布,可以在这里访问:https://github.com/HYQ688/CAC_New_Lagrange_method。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Global constraints preserving Lagrange multiplier approach for the incompressible flow-coupled phase-field vesicle membrane models
This paper presents a novel model for lipid vesicles that overcomes the limitations of classical phase-field elastic bending models, which utilize penalty terms to approximate volume and surface area conservation. Our approach achieves accurate volume conservation and employs a Lagrange multiplier to ensure precise surface area conservation. For the incompressible flow-coupled system, we introduce two efficient, linear, and energy-stable schemes that integrate the scalar auxiliary variable (SAV) approach with the Lagrange multiplier technique. These schemes maintain the efficiency of the SAV approach for unconstrained gradient flows, requiring only the solution of linear equations with constant coefficients at each time step alongside a negligible-cost nonlinear algebraic system. The proposed schemes guarantee unconditional energy stability while effectively preserving global surface area conservation. Furthermore, the numerical schemes are fully decoupled, linear, unconditionally energy-stable, and exhibit second-order accuracy in time. A significant innovation enabling this full decoupling is the introduction of an ordinary differential equation to address nonlinear coupling terms while satisfying the “zero-energy-contribution” property. Extensive 2D and 3D simulations demonstrate the accuracy and stability of our proposed schemes. The code is published as open-source and can be accessed here: https://github.com/HYQ688/CAC_New_Lagrange_method.
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来源期刊
Computer Physics Communications
Computer Physics Communications 物理-计算机:跨学科应用
CiteScore
12.10
自引率
3.20%
发文量
287
审稿时长
5.3 months
期刊介绍: The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.
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