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Updated: Jan 8, 2026

Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders
Published on: December 4, 2020
Método de ángulo sólido de vecinos más cercanos para sistemas de esferas de tamaño disperso
Nydia Roxana Varela-Rosales1,2,3, Michael Engel1
1Institute for Multiscale Simulation, IZNF, Friedrich-Alexander-Universität Erlangen-Nürnberg, 91058 Erlangen, Germany.
Abstract:
Identifying nearest neighbors accurately is essential in particle-based simulations, from analyzing local structure to detecting phase transitions. While parameter-free methods, such as Voronoi tessellation and the solid-angle nearest-neighbor (SANN) algorithm, are effective in monodisperse systems, they become less reliable in mixtures with large size disparities. We introduce SANNR, a generalization of SANN that incorporates particle radii into the solid-angle criterion for robust, size-sensitive neighbor detection. We compare SANNR against Voronoi, Laguerre, and SANN in binary and size-disperse sphere mixtures. Using Wasserstein distance metrics, we show that SANNR closely matches size-aware Laguerre tessellation while preserving the geometric continuity of SANN. Applied to the crystallization of the complex AB13 phase, SANNR improves detection of local bond-orientational order and better captures the emergence of global symmetry. SANNR, thus, offers a smooth, parameter-free, and extensible framework for neighbor detection in polydisperse and multicomponent systems.
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