Characterizing structural features of two-dimensional particle systems through Voronoi topology

被引：1

作者：

Lazar, Emanuel A. ^{[1
]}

Lu, Jiayin ^{[2
,3
]}

Rycroft, Chris H. ^{[3
,4
]}

Schwarcz, Deborah ^{[1
,5
]}

机构：

[1] Bar Ilan Univ, Dept Math, IL-5290002 Ramat Gan, Israel

[2] Univ Calif Los Angeles, Dept Math, Los Angeles, CA 90095 USA

[3] Univ Wisconsin Madison, Dept Math, Madison, WI 53711 USA

[4] Lawrence Berkeley Lab, Math Grp, Berkeley, CA 94720 USA

[5] Soreq Nucl Res Ctr, IL-81800 Yavne, Israel

来源：

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING | 2024年 / 32卷 / 08期

关键词：

Voronoi cells; topology; local structure analysis; particle systems; MODEL;

D O I：

10.1088/1361-651X/ad8ad9

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

This paper introduces a new approach toward characterizing local structural features of two-dimensional particle systems. The approach can accurately identify and characterize defects in high-temperature crystals, distinguish a wide range of nominally disordered systems, and robustly describe complex structures such as grain boundaries. This paper also introduces twodimensional functionality into the open-source software program VoroTop which automates this analysis. This software package is built on a recentlyintroduced multithreaded version of Voro++, enabling the analysis of systems with billions of particles on high-performance computer architectures.

引用

页数：20

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