Abstract
Properties of Voronoi polyhedra in several monoatomic glass-forming systems are discussed. They are compared to properties of a Kob–Andersen mixture. It is shown that two mechanisms of vitrification are possible: the blurring of Voronoi polyhedra and the formation of polyhedra of two different shapes. Both mechanisms reduce the crystal order in the system and the glass transition.
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Funding
This work was performed on equipment at the Complex for Modeling and Processing Data of Mega-Class Research Installations, National Research Center Kurchatov Institute, http://ckp.nrcki.ru. It was supported by RF Presidential Grant in Support of Young Doctors of Science MD-6103.2021.1.2.
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This work was reported to the National Workshop on Studying Fluids and Solutions (October 12, 2021) dedicated to the memory of G.A. Martynov.
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Fomin, Y.D., Tsiok, E.N., Ryzhov, V.N. et al. Glass Transition in Monoatomic Systems: Dilution of One Structure or Competition between Two Structures?. Russ. J. Phys. Chem. 96, 1381–1385 (2022). https://doi.org/10.1134/S0036024422070123
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DOI: https://doi.org/10.1134/S0036024422070123