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.
|Journal||Physical Review E|
|State||Published - 6 May 2019|
Bibliographical noteFunding Information:
E.A.L. gratefully acknowledges the generous support of the US National Science Foundation through Award No. DMR-1507013. M.Y.H. and W.B.L acknowledges the support by Creative Materials Discovery Program and C1 Gas Refinery Program through the National Research Foundation of Korea (NRF) funded by Ministry of Science and ICT (2018M3D1A1058633, 2018M3D3A1A01055765).
© 2019 American Physical Society.