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 language | English |
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Article number | 085022 |
Journal | Modelling and Simulation in Materials Science and Engineering |
Volume | 32 |
Issue number | 8 |
DOIs | |
State | Published - 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