Crystallization of Molecular Liquids in Computer Simulations: Carbon Dioxide

Igor M. Svishchev and Peter G. Kusalik
Phys. Rev. Lett. 75, 3289 – Published 30 October 1995
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Abstract

Using molecular dynamics simulations we investigate the process of homogeneous crystallization of a typical nonpolar molecular liquid, carbon dioxide. A time-temperature-transformation plot is displayed, with the nucleation times being in the range of a few hundreds of picoseconds to a few nonoseconds. Directional anisotropy in the local molecular diffusion is found to be an important feature of the nucleation process.

  • Received 25 April 1995

DOI:https://doi.org/10.1103/PhysRevLett.75.3289

©1995 American Physical Society

Authors & Affiliations

Igor M. Svishchev and Peter G. Kusalik

  • Department of Chemistry, Dalhousie University, Halifax, Nova Scotia, Canda B3H 4J3

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Issue

Vol. 75, Iss. 18 — 30 October 1995

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