From soft- to hard-sphere fluids: Crossover evidenced by high-frequency elastic moduli.

Khrapak, Sergey; Kryuchkov, Nikita P; Mistryukova, Lukiya A; Yurchenko, Stanislav O · Phys Rev E · 2021

basic_science · Level V

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Abstract

The conventional (Zwanzig-Mountain) expressions for instantaneous elastic moduli of simple fluids predict their divergence as the limit of hard-sphere (HS) interaction is approached. However, elastic moduli of a true HS fluid are finite. Here we demonstrate that this paradox reveals the soft-to-hard-sphere crossover in fluid excitations and thermodynamics. With extensive in silico study of fluids with repulsive power-law interactions (∝r^{-n}), we locate the crossover at n≃10-20 and develop a simple and accurate model for the HS regime. The results open prospects to deal with the elasticity and related phenomena in various systems, from simple fluids to melts and glasses.