VEMcomp: a Virtual Elements MATLAB package for bulk-surface PDEs in 2D and 3D

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-08-31 DOI:10.1007/s11075-024-01919-4
Massimo Frittelli, Anotida Madzvamuse, Ivonne Sgura
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Abstract

We present a Virtual Element MATLAB solver for elliptic and parabolic, linear and semilinear Partial Differential Equations (PDEs) in two and three space dimensions, which is coined VEMcomp. Such PDEs are widely applicable to describing problems in material sciences, engineering, cellular and developmental biology, among many other applications. The library covers linear and nonlinear models posed on different simple and complex geometries, involving time-dependent bulk, surface, and bulk-surface PDEs. The solver employs the Virtual Element Method (VEM) of lowest polynomial order \({k=1}\) on general polygonal and polyhedral meshes, including the Finite Element Method (FEM) of order \({k=1}\) as a special case when the considered mesh is simplicial. VEMcomp has three main purposes. First, VEMcomp generates polygonal and polyhedral meshes optimized for fast matrix assembly. Triangular and tetrahedral meshes are encompassed as special cases. For surface PDEs, VEMcomp is compatible with the well-known Matlab package DistMesh for mesh generation. Second, given a mesh for the considered geometry, possibly generated with an external package, VEMcomp computes all the matrices (mass and stiffness) required by the VEM or FEM method. Third, for multiple classes of stationary and time-dependent bulk, surface and bulk-surface PDEs, VEMcomp solves the considered PDE problem with the VEM or FEM in space and IMEX Euler in time, through a user-friendly interface. As an optional post-processing, VEMcomp comes with its own functions for plotting the numerical solutions and evaluating the error when possible. An extensive set of examples illustrates the usage of the library.

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VEMcomp:用于二维和三维体面 PDE 的虚拟元素 MATLAB 软件包
我们提出了一个虚拟元素 MATLAB 求解器,用于求解二维和三维空间的椭圆和抛物线、线性和半线性偏微分方程(PDEs),并将其命名为 VEMcomp。这类偏微分方程广泛应用于描述材料科学、工程学、细胞和发育生物学等领域的问题。该库涵盖在不同的简单和复杂几何形状上建立的线性和非线性模型,涉及与时间相关的体动力学、表面动力学和体-面 PDEs。该求解器在一般多边形和多面体网格上采用了最低多项式阶数 \({k=1}\) 的虚拟元素法(VEM),包括阶数 \({k=1}\) 的有限元法(FEM),作为当考虑的网格是简单网格时的一种特殊情况。VEMcomp 有三个主要用途。首先,VEMcomp 生成的多边形和多面体网格经过优化,可用于快速矩阵组装。三角形和四面体网格作为特例也包括在内。对于曲面 PDE,VEMcomp 与著名的 Matlab 网格生成软件包 DistMesh 兼容。其次,VEMcomp 会根据所考虑几何体的网格(可能由外部软件包生成)计算 VEM 或 FEM 方法所需的所有矩阵(质量和刚度)。第三,对于多类静态和时间相关的体动力学、表面动力学和体-表面动力学问题,VEMcomp 可通过用户友好界面,使用空间 VEM 或 FEM 和时间 IMEX Euler 解决所考虑的 PDE 问题。作为可选的后处理功能,VEMcomp 自带绘制数值解和误差评估的功能。VEMcomp 还提供了大量示例来说明该库的使用方法。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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