{"title":"Accurate-geometry-embodied finite element method for phonon Boltzmann transport equation","authors":"Dingtao Shen , Wei Su","doi":"10.1016/j.cpc.2025.109623","DOIUrl":null,"url":null,"abstract":"<div><div>Modeling nano- and micro-scale heat conduction based on the phonon Boltzmann transport equation has gained increasing research interest due to the demand for better thermal performance of semiconductors. Nevertheless, the high dimensionality of the Boltzmann equation results in the so-called curse of dimensionality, presenting a bottleneck for efficient numerical solutions based on direct discretization. In practice, high-order numerical schemes such as discontinuous Galerkin finite element methods are preferable to reduce the degrees of freedom, thereby reducing the computational cost. However, when complex geometries emerge, cumbersome refinement is required to approximate the boundary of the computational domain if spatial meshes with straight-sided elements are employed, concealing the advantage of a high-order scheme. In this work, we extend the idea of the non-uniform rational B-splines enhanced finite element method. By embodying accurate geometric information, including parametric descriptions for curved boundaries and sampling information of rough surfaces reconstructed from scanning electron microscope images or by a random growth approach, into the faces of the elements adjacent to the physical boundary, the geometric inaccuracies and heavy refinement can be eliminated in a very coarse mesh. Strategies to define the polynomial basis and compute the integrals over the geometry-embodied elements are investigated. Numerical results, including heat conduction in a silicon ring, nano-porous media with circular pores, and a square domain with a rough boundary, show that to obtain solutions with the same order of accuracy, the discontinuous Galerkin method performed on accurate-geometry-embodied meshes can be 10-100 times faster than that implemented on straight-sided meshes. The efficiency of higher-order discretization methods is fully promoted, where fewer spatial elements combined with higher-order approximating polynomials are preferable to obtain solutions with high accuracy and reduced computational cost.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"313 ","pages":"Article 109623"},"PeriodicalIF":7.2000,"publicationDate":"2025-04-15","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/S0010465525001250","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}
引用次数: 0
Abstract
Modeling nano- and micro-scale heat conduction based on the phonon Boltzmann transport equation has gained increasing research interest due to the demand for better thermal performance of semiconductors. Nevertheless, the high dimensionality of the Boltzmann equation results in the so-called curse of dimensionality, presenting a bottleneck for efficient numerical solutions based on direct discretization. In practice, high-order numerical schemes such as discontinuous Galerkin finite element methods are preferable to reduce the degrees of freedom, thereby reducing the computational cost. However, when complex geometries emerge, cumbersome refinement is required to approximate the boundary of the computational domain if spatial meshes with straight-sided elements are employed, concealing the advantage of a high-order scheme. In this work, we extend the idea of the non-uniform rational B-splines enhanced finite element method. By embodying accurate geometric information, including parametric descriptions for curved boundaries and sampling information of rough surfaces reconstructed from scanning electron microscope images or by a random growth approach, into the faces of the elements adjacent to the physical boundary, the geometric inaccuracies and heavy refinement can be eliminated in a very coarse mesh. Strategies to define the polynomial basis and compute the integrals over the geometry-embodied elements are investigated. Numerical results, including heat conduction in a silicon ring, nano-porous media with circular pores, and a square domain with a rough boundary, show that to obtain solutions with the same order of accuracy, the discontinuous Galerkin method performed on accurate-geometry-embodied meshes can be 10-100 times faster than that implemented on straight-sided meshes. The efficiency of higher-order discretization methods is fully promoted, where fewer spatial elements combined with higher-order approximating polynomials are preferable to obtain solutions with high accuracy and reduced computational cost.
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.