Published April 29, 2022 | Version v1
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Comparing four hard-sphere approximations for the low-temperature WCA melting line

  • 1. Roskilde University (Denmark)


Data presented in "Comparing four hard-sphere approximations for the low-temperature WCA melting line".

Abstract of paper:

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.



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