Characterizing structural features of two-dimensional particle systems through Voronoi topology
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.
Authors
- Emanuel A. Lazar (ORCID: https://orcid.org/0000-0002-5552-5299)
- Deborah Schwarcz (ORCID: https://orcid.org/0000-0003-2240-2687)
- Jiayin Lü
- Chris H. Rycroft (ORCID: https://orcid.org/0000-0003-4677-6990)
Institutions
- University of Wisconsin–Madison (US)
- Bar-Ilan University (IL)
- Lawrence Berkeley National Laboratory (US)
- University of California, Los Angeles (US)
- Israel Atomic Energy Commission (IL)
Publication Details
- Journal
- Modelling and Simulation in Materials Science and Engineering
- Published
- 2024-10-24
- DOI
- https://doi.org/10.1088/1361-651x/ad8ad9
- Citations
- 3
- Primary Topic
- Graphene research and applications
- Type
- article
- Field-Weighted Citation Impact
- 0.35
Funders
- U.S. Department of Energy
- United States - Israel Binational Science Foundation
- United States-Israel Binational Science Foundation
- Bar-Ilan University
- Office of Science
- Advanced Scientific Computing Research