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Published on: December 11, 2014
Topological Characterization of Rigid-Nonrigid Transition across the Frenkel Line
Tae Jun Yoon1, Min Young Ha1, Emanuel A Lazar2
1School of Chemical and Biological Engineering, Institute of Chemical Processes , Seoul National University , Seoul 08826 , Republic of Korea.
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.
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