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Comparing four hard-sphere approximations for the low-temperature WCA melting line.
- Source :
-
Journal of Chemical Physics . 7/21/2022, Vol. 157 Issue 3, p1-12. 12p. - Publication Year :
- 2022
-
Abstract
- By combining interface-pinning simulations with numerical integration of the Clausius–Clapeyron equation, we accurately determine the melting-line coexistence pressure and fluid/crystal densities of the Weeks–Chandler–Andersen 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 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. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 157
- Issue :
- 3
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 158114820
- Full Text :
- https://doi.org/10.1063/5.0097593