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

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

1 Jun 2024arXiv:2406.00553links table onlyarchive 2025-07-28

Emanuel A. Lazar, Jiayin Lu, Chris H. Rycroft, Deborah Schwarcz

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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 two-dimensional functionality into the open-source software program VoroTop which automates this analysis. This software package is built on a recently-introduced multithreaded version of VORO++, enabling the analysis of systems with billions of particles on high-performance computer architectures.

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gitlab.com/mLazar/VoroTop officialmentioned in papermentioned on GitHub report

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