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Theory of freezing: The inhomogeneous Ornstein-Zernike equation (1989)

McCoy, J. D. ; Haymet, A. D. J.

Springer

International journal of thermophysics 10 (1989), S. 87-100

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ISSN: 1572-9567

Keywords: freezing ; hard disks ; Ornstein-Zernike equation

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract We present a new freezing theory based on the inhomogeneous Ornstein-Zernike equation. The new theory is nonperturbative, in the sense that crystal and liquid are treated at the same level of approximation. This is in contrast to the popular density functional theory of freezing, which uses the liquid as a reference state for perturbation theory. Due to the demanding nature of the numerical method, preliminary calculations are presented for a model problem — which, in the strictest sense, is unphysical — namely, the freezing of hard disks in two dimensions. We also explore a generalized Percus-Yevick closure appropriate for the crystal.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00500710

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