English

Crystallisation and Polymorph Selection in Active Brownian Particles

Soft Condensed Matter 2021-07-26 v1

Abstract

We explore crystallisation and polymorph selection in active Brownian particles with numerical simulation. In agreement with previous work [Wysocki et al.\textit{et al.} Europhys. Lett.\textit{Europhys. Lett.}, 105\textbf{105} 48004 (2014)], we find that crystallisation is suppressed by activity and occurs at higher densities with increasing PeˊcletP\'{e}clet number (PePe). While the nucleation rate decreases with increasing activity, the crystal growth rate increases due to the accelerated dynamics in the melt. As a result of this competition we observe the transition from a nucleation and growth regime at high PePe to "spinodal nucleation" at low PePe. Unlike the case of passive hard spheres, where preference for FCC over HCP polymorphs is weak, activity causes the annealing of HCP stacking faults, thus strongly favouring the FCC symmetry at high PePe. When freezing occurs more slowly, in the nucleation and growth regime, this tendency is much reduced and we see a trend towards the passive case of little preference for either polymorph.

Keywords

Cite

@article{arxiv.2107.11236,
  title  = {Crystallisation and Polymorph Selection in Active Brownian Particles},
  author = {Fergus J. Moore and C. Patrick Royall and Tanniemola B. Liverpool and John Russo},
  journal= {arXiv preprint arXiv:2107.11236},
  year   = {2021}
}

Comments

9 pages, 6 figures

R2 v1 2026-06-24T04:27:50.658Z