Comparing four hard-sphere approximations for the low-temperature WCA melting line

Abstract

By combining interface-pinning simulations with numerical integration of the Clausius-Clapeyron equation we determine accurately the melting-line coexistence pressure and fluid/crystal densities of the Weeks-Chandler-Andersen (WCA) system covering four decades of temperature. The data are used for comparing the melting-line predictions of the Boltzmann, Andersen-Weeks-Chandler, Barker-Henderson, and Stillinger hard-sphere approximations. The Andersen-Weeks-Chandler and the Barker-Henderson theories give the most accurate predictions, and they both work excellently in the zero-temperature limit for which analytical expressions are derived here.

12 pages, 9 figures

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Cited by in corpus (6)

• Colloidal Hard Spheres: Triumphs, Challenges and Mysteries
• Freezing density scaling of transport coefficients in the Weeks-Chandler-Andersen fluid
• Understanding Dynamics in Coarse-Grained Models: V. Extension of Coarse-Grained Dynamics Theory to Non-Hard Sphere Systems
• Fast event-driven simulations for soft spheres: from dynamics to Laves phase nucleation
• Comparing zero-parameter theories for the WCA and harmonic-repulsive melting lines
• Theory of Generalized Hertzian Hyperspheres