Crystal nucleation of colloidal hard dumbbells

Ran Ni*, Marjolein Dijkstra

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)

Abstract

Using computer simulations, we investigate the homogeneous crystal nucleation in suspensions of colloidal hard dumbbells. The free energy barriers are determined by Monte Carlo simulations using the umbrella sampling technique. We calculate the nucleation rates for the plastic crystal and the aperiodic crystal phase using the kinetic prefactor as determined from event driven molecular dynamics simulations. We find good agreement with the nucleation rates determined from spontaneous nucleation events observed in event driven molecular dynamics simulations within error bars of one order of magnitude. We study the effect of aspect ratio of the dumbbells on the nucleation of plastic and aperiodic crystal phases, and we also determine the structure of the critical nuclei. Moreover, we find that the nucleation of the aligned close-packed crystal structure is strongly suppressed by a high free energy barrier at low supersaturations and slow dynamics at high supersaturations.

Original languageEnglish
Article number034501
JournalJournal of Chemical Physics
Volume134
Issue number3
DOIs
Publication statusPublished - Jan 21 2011
Externally publishedYes

ASJC Scopus Subject Areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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