par Colot, Jean-Louis ;Baus, Marc ;Xu, Hong
Référence Molecular Physics, 57, 4, page (809-823)
Publication Publié, 1986
Article révisé par les pairs
Résumé : The sensitivity of the results obtained within a recently proposed theory of freezing is tested against all the underlying approximations: (1) the Percus-Yevick approximation for the direct correlation function, (2) the choice of the effective fluid whose structure scales with that of the solid, (3) the path joining the solid to the fluid phase, and (4) the gaussian approximation for the local density of the solid. The general features of the freezing transition are stable with respect to the approximations while the quantitative agreement with the simulation results improves with the quality of the approximations. We also propose a semi-empirical hard-sphere direct correlation function which may be useful for other applications. © 1986 Taylor & Francis Group, LLC.