e-Journal of Surface Science and Nanotechnology
Online ISSN : 1348-0391
ISSN-L : 1348-0391

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Glassy State of the Flat Two-dimensional Monatomic System with Pentagonal Structure
Nguyen To Nga Vo Van Hoang
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ジャーナル オープンアクセス 早期公開

論文ID: 2025-003

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Formation of a glassy state of two-dimensional simple monatomic system with a pentagonal structure is studied by cooling from the melt via molecular dynamics simulations. We use the so-called Lennard-Jones-Gauss interatomic potential proposed by Engel and Trebin [Phys. Rev. Lett. 98, 225505 (2007)] with the pentagonal structure forming ability. We find that although a relatively low cooling rate is used, crystallization does not occur in the system. Instead, glass-like phase transition occurs in the system while temperature dependence of total energy per atom in the system is rather smooth (i.e., glassy-like transition) and fivefold rings dominate in the system during the whole cooling process. At around the glass transition temperature fraction of pentagons steeply increases toward the stable high value of solid glassy state. Moreover, diffraction pattern of the final state at low temperature exhibits a glassy-like behavior of the atomic configuration which contains diffusive rings. Glass formation is analyzed based on the occurrence/growth of solid-like atoms.

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