| Literature DB >> 30293429 |
Tae Jun Yoon1, Min Young Ha1, Emanuel A Lazar2, Won Bo Lee1, Youn-Woo Lee1.
Abstract
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.Year: 2018 PMID: 30293429 DOI: 10.1021/acs.jpclett.8b02715
Source DB: PubMed Journal: J Phys Chem Lett ISSN: 1948-7185 Impact factor: 6.475