Fluctuating Free-Volume Analysis of the Soft-Core Model of High-Density Fluid States

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Abstract
The high-density fluid states of the soft core system are analysed in terms of fluctuating free volumes which are defined with use of atomic configurations simulated by a molecular dynamics method. Statistical properties of fluctuating free volumes are examined. They can be classified into extensive and intensive types. The fraction of intensive free volumes increases rather rapidly above ρ * ≃0.7, where ρ * is defined by ρ( ε / k T ) 1/4 and ρ= N σ 3 / V . This fact is well correlated with the dynamic as well as the static features of the system found previously. The Helmholtz free energy is derived in terms of mean free volumes under Singer's assumption. It is in a good agreement with the result obtained by computer experiments, but the difference between them is systematic. It is overestimated for stable fluid states, and underestimated for metastable supercooled fluid states.

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