Topological generalization of the rigid-nonrigid transition in soft-sphere and hard-sphere fluids

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

Research output: Contribution to journalArticlepeer-review

Abstract

A fluid particle changes its dynamics from diffusive to oscillatory as the system density increases up to the melting density. Hence the notion of the Frenkel line was introduced to demarcate the fluid region into rigid and nonrigid liquid subregions based on the collective particle dynamics. In this work, we apply a topological framework to locate the Frenkel lines of the soft-sphere and the hard-sphere models relying on the system configurations. The topological characteristics of the ideal gas and the maximally random jammed state are first analyzed, then the classification scheme designed in our earlier work is applied to soft-sphere and hard-sphere fluids. The dependence of the classification result on the bulk density is understood based on the theory of fluid polyamorphism. The percolation behavior of solid-like clusters is described based on the fraction of solid-like molecules in an integrated manner. The crossover densities are obtained by examining the percolation of solid-like clusters. The resultant crossover densities of soft-sphere fluids converge to that of hard-sphere fluid. Hence the topological method successfully highlights the generality of the Frenkel line.

Original languageEnglish
Article number052603
JournalPhysical Review E
Volume99
Issue number5
DOIs
StatePublished - 6 May 2019

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Statistical and Nonlinear Physics
  • Statistics and Probability

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