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

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

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Article number085022
JournalModelling and Simulation in Materials Science and Engineering
Volume32
Issue number8
DOIs
StatePublished - Dec 2024

Keywords

  • Voronoi cells
  • local structure analysis
  • particle systems
  • topology

All Science Journal Classification (ASJC) codes

  • Modelling and Simulation
  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Computer Science Applications

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