{"title":"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","authors":"Yanqing He , Qi Li , Xiaofeng Yang","doi":"10.1016/j.cpc.2025.109773","DOIUrl":null,"url":null,"abstract":"<div><div>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: <span><span>https://github.com/HYQ688/CAC_New_Lagrange_method</span><svg><path></path></svg></span>.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"316 ","pages":"Article 109773"},"PeriodicalIF":3.4000,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Global constraints preserving Lagrange multiplier approach for the incompressible flow-coupled phase-field vesicle membrane models\",\"authors\":\"Yanqing He , Qi Li , Xiaofeng Yang\",\"doi\":\"10.1016/j.cpc.2025.109773\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>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: <span><span>https://github.com/HYQ688/CAC_New_Lagrange_method</span><svg><path></path></svg></span>.</div></div>\",\"PeriodicalId\":285,\"journal\":{\"name\":\"Computer Physics Communications\",\"volume\":\"316 \",\"pages\":\"Article 109773\"},\"PeriodicalIF\":3.4000,\"publicationDate\":\"2025-07-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computer Physics Communications\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0010465525002759\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010465525002759","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
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.
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.