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The freezing of hard spheres II: A search for structural (f.c.c.-h.c.p.) phase transitions

par Colot, Jean-Louis ;Baus, Marc
Référence Molecular Physics, 56, 4, page (807-824)
Publication Publié, 1985

Article révisé par les pairs

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Résumé :

The recently proposed theory of freezing is reformulated entirely in real (direct lattice) space. This allows high precision calculations to be performed easily and also leads to a better understanding of the underlying freezing mechanism. When applied to the freezing of hard spheres into f.c.c. or h.c.p. lattices it is found that the free energy differences involved are extremely small. A differentiation between the compact structures will be possible only if the range of the true direct correlation function appreciably exceeds its Percus-Yevick value used here. © Taylor & Francis Group, LLC.