{"title":"VEMcomp: a Virtual Elements MATLAB package for bulk-surface PDEs in 2D and 3D","authors":"Massimo Frittelli, Anotida Madzvamuse, Ivonne Sgura","doi":"10.1007/s11075-024-01919-4","DOIUrl":null,"url":null,"abstract":"<p>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 <span>\\({k=1}\\)</span> on general polygonal and polyhedral meshes, including the Finite Element Method (FEM) of order <span>\\({k=1}\\)</span> 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.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"100","ListUrlMain":"https://doi.org/10.1007/s11075-024-01919-4","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
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.
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.