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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 56, 1985 - Issue 4
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Original Articles

The freezing of hard spheres

II. A search for structural (f.c.c.-h.c.p.) phase transitions

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Pages 807-824 | Received 07 May 1985, Accepted 01 Jul 1985, Published online: 26 Oct 2007
 

Abstract

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.

Additional information

Notes on contributors

M. Baus

Chercheur Qualifié du F.N.R.S.

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