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Phys. Rev. Lett. 77, 4198–4201 (1996)

Metastability and Crystallization in Hard-Sphere Systems

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M. D. Rintoul and S. Torquato
Princeton Materials Institute and Department of Civil Engineering and Operations Research, Princeton University, Princeton, New Jersey 08540

Received 12 July 1996; published in the issue dated 11 November 1996

We present results of large-scale molecular dynamics simulations of hard sphere systems at values of the volume fraction φ along the disordered, metastable branch of the phase diagram up to random close-packing φc. By quantifying the degree of local order, we determine the necessary conditions to obtain a truly random system, enabling us to compute the pressure carefully along the entire metastable branch. Near φc we show that the pressure scales as (φc-φ)-γ, where γ = 1 and φc = 0.644±0.005. Contrary to previous studies, we find no evidence of a thermodynamic glass transition and find that after long times the system crystallizes for all φ above the melting point.

© 1996 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.77.4198
DOI:
10.1103/PhysRevLett.77.4198
PACS:
05.20.-y, 05.70.Fh, 61.20.-p