Structural transitions in hypersphere fluids: Predictions of Kirkwood's approximation

We use an analytic criterion for vanishing of exponential damping of correlations developed previously [ J. Piasecki , J. Chem. Phys. 133 , 164507 ( 2010 )] 10.1063/1.3491039 to determine the threshold volume fractions for structural transitions in hard sphere systems in dimensions D = 3, 4, 5, and...

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Veröffentlicht in:The Journal of chemical physics 2011-08, Vol.135 (8), p.084509-084509-7
Hauptverfasser: Piasecki, Jarosław, Szymczak, Piotr, Kozak, John J.
Format: Artikel
Sprache:eng
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Zusammenfassung:We use an analytic criterion for vanishing of exponential damping of correlations developed previously [ J. Piasecki , J. Chem. Phys. 133 , 164507 ( 2010 )] 10.1063/1.3491039 to determine the threshold volume fractions for structural transitions in hard sphere systems in dimensions D = 3, 4, 5, and 6, proceeding from the Yvon-Born-Green hierarchy and using the Kirkwood superposition approximation. We conclude that the theory does predict phase transitions in qualitative agreement with numerical studies. We also derive, within the superposition approximation, the asymptotic form of the analytic condition for occurrence of a structural transition in the D → ∞ limit.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3622597