Comparing four hard-sphere approximations for the low-temperature WCA melting line
Statistical Mechanics
2022-12-23 v1
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.
Cite
@article{arxiv.2205.00063,
title = {Comparing four hard-sphere approximations for the low-temperature WCA melting line},
author = {Eman Attia and Jeppe C. Dyre and Ulf R. Pedersen},
journal= {arXiv preprint arXiv:2205.00063},
year = {2022}
}
Comments
12 pages, 9 figures