Literature DB >> 19045113

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

Rosalind J Allen1, Chantal Valeriani, Sorin Tănase-Nicola, Pieter Rein ten Wolde, Daan Frenkel.   

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.

Year:  2008        PMID: 19045113     DOI: 10.1063/1.2981052

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Molecular Dynamics Simulation of Trimer Self-Assembly Under Shear.

Authors:  Raymond D Mountain; Harold W Hatch; Vincent K Shen
Journal:  Fluid Phase Equilib       Date:  2017-03-06       Impact factor: 2.775

  1 in total

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