Homogeneous nucleation under shear in a two-dimensional Ising model: Cluster growth, coalescence, and breakup

Rosalind J. Allen, Chantal Valeriani, Sorin Tanase-Nicola, Pieter Rein ten Wolde, Daan Frenkel

Research output: Contribution to journalArticlepeer-review

Abstract

We compute rates and pathways for nucleation in a sheared two-dimensional Ising model with Metropolis spin flip dynamics using forward flux sampling (FFS). We find a peak in the nucleation rate at intermediate shear rate. We analyze the origin of this peak using modified shear algorithms and committor analysis. We find that the peak arises from an interplay between three shear-mediated effects: Shear-enhanced cluster growth, cluster coalescence, and cluster breakup. Our results show that complex nucleation behavior can be found even in a simple driven model system. This work also demonstrates the use of FFS for simulating rare events, including nucleation, in nonequilibrium systems. (C) 2008 American Institute of Physics.

Original languageEnglish
Article number134704
Pages (from-to)-
Number of pages11
JournalThe Journal of Chemical Physics
Volume129
Issue number13
DOIs
Publication statusPublished - 7 Oct 2008

Keywords

  • LATTICE-GAS
  • COLLOIDAL SUSPENSIONS
  • PHASE-TRANSITIONS
  • INDUCED ORDER
  • FLOW
  • CRYSTALLIZATION
  • STATES
  • CONSTANTS
  • DYNAMICS
  • KINETICS

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