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Equations of state and transport data for the hard-sphere fluid suggest a quasi-thermodynamic transition from supercooled fluid to amorphous solid at a density slightly greater than the equilibrium freezing density. This has been substantiated with a lengthy MD computation in which the density was increased very gradually from a low density fluid state to almost close-packing. The amorphous close-packed density of 500 spheres with periodic boundary is found to be ρaσ3= 1.217 ± 0.004. A glass transition occurs in the density region ρgσ3= 1.00 ± 0.01; a (diffuse) thermodynamic transition of the third-order is indicated.
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Leslie V. Woodcock (Thu,) studied this question.
synapsesocial.com/papers/6a09385fe0bed6b981b63646 — DOI: https://doi.org/10.1039/f29767201667
Leslie V. Woodcock
Universidade Federal de Juiz de Fora
Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics
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