• DOI:10.1140/epje/s10189-021-00108-8
• Corpus ID: 236318379

Crystallisation and polymorph selection in active Brownian particles

@article{Moore2021CrystallisationAP,
  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={The European Physical Journal. E, Soft Matter},
  year={2021},
  volume={44}
}

• F. Moore, C. Royall, +1 author J. Russo
• Published 23 July 2021
• Materials Science
• The European Physical Journal. E, Soft Matter

We explore crystallisation and polymorph selection in active Brownian particles with numerical simulation. In agreement with previous work (Wysocki et al. in Europhys Lett 105:48004, 2014), we find that crystallisation is suppressed by activity and occurs at higher densities with increasing Péclet number (\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${ Pe }$$\end{document}Pe). 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 \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${ Pe }$$\end{document}Pe to “spinodal nucleation” at low \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${ Pe }$$\end{document}Pe. 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 \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${ Pe }$$\end{document}Pe. 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.