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

被引：57

作者：

Allen, Rosalind J. ^{[1
,2
]}

Valeriani, Chantal ^{[1
,2
,3
]}

Tanase-Nicola, Sorin ^{[3
,4
]}

ten Wolde, Pieter Rein ^{[3
]}

Frenkel, Daan ^{[3
,5
]}

机构：

[1] Univ Edinburgh, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland

[2] Univ Edinburgh, Sch Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland

[3] FOM, Inst Atom & Mol Phys, NL-1098 SJ Amsterdam, Netherlands

[4] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA

[5] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 129卷 / 13期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1063/1.2981052

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页数：11

共 64 条

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