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

S Khrapak and NP Kryuchkov and LA Mistryukova and SO Yurchenko, PHYSICAL REVIEW E, 103, 052117 (2021).

DOI: 10.1103/PhysRevE.103.052117

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 (proportional to r(-n)), we locate the crossover at n similar or equal to 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.

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