ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The correlated particles expansion (CPE), which was described in detail in an earlier article, is used to calculate the configurational free energy, the compressibility factor, the Lindemann parameter, and the radial distribution function of a hard sphere solid. Two sets of results are presented: one set is accurate through second order in the CPE; the other is accurate through third order. The results for the free energy, the Lindemann parameter, etc. are in excellent agreement with the Monte Carlo (MC) values at small volumes and are in good agreement at the melting volume. However, slightly below the melting volume there is a kink in the free energy which causes a discontinuity in the compressibility factor. The kink results from a difficulty that arises in the solution of a set of self-consistent equations.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.452358
Permalink