Topological Characterization of Rigid-Nonrigid Transition across the Frenkel Line

Tae Jun Yoon, Min Young Ha, Emanuel A. Lazar, Won Bo Lee, Youn Woo Lee

Research output: Contribution to journalArticlepeer-review

15 Scopus citations


The dynamics of supercritical fluids, a state of matter beyond the gas-liquid critical point, changes from diffusive to oscillatory motions at high pressure. This transition is believed to occur across a locus of thermodynamic states called the Frenkel line. The Frenkel line has been extensively investigated from the viewpoint of the dynamics, but its structural meaning is still not well-understood. This Letter interprets the mesoscopic picture of the Frenkel line entirely based on a topological and geometrical framework. This discovery makes it possible to understand the mechanism of rigid-nonrigid transition based not on the dynamics of individual atoms but on their instantaneous configurations. The topological classification method reveals that the percolation of solid-like structures occurs above the rigid-nonrigid crossover densities.

Original languageEnglish
Pages (from-to)6524-6528
Number of pages5
JournalJournal of Physical Chemistry Letters
Issue number22
StatePublished - 15 Nov 2018
Externally publishedYes

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Copyright © 2018 American Chemical Society.


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