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arXiv · 2406.00553

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

Emanuel A. Lazar·Jiayin Lu·Chris H. Rycroft·Deborah Schwarcz
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Abstract

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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Emanuel A. Lazar, Jiayin Lu, Chris H. Rycroft, Deborah Schwarcz. 2024-06-01. Characterizing structural features of two-dimensional particle systems through Voronoi topology. https://doi.org/10.1088/1361-651x%2Fad8ad9

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